Start MC Double layer 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 12.3542364 net charge on right wall /e = -12.3542364 net charge on walls /e (starting) = 0. Initial sigma = 0.00823475823 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 1 1 -1.06 -15.8897954 1 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 1 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00849456681 Right electrode charge = -0.00849456681 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 239 -1.00 3.0000 1.5000 Na ion: 239 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77050 Bulk concentration of Na = 0.77466 ________________________________________________________________________ Average electrode charge 1 = 0.00639781785 Average electrode charge 2 = -0.00639781785 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.373752 -1.060000 -0.543957 ________________________________________________________________________ Electrode charge exchange: 0.0657916325 Move Jump Cl: 0.94745 0.39940 Na: 0.94074 0.40264 ________________________________________________________________________ Create NaCl : 5914. / 14729. = 0.40152 Destroy NaCl : 5975. / 15052. = 0.39696 ________________________________________________________________________ Potential at left wall /kT = 1.58156604 Potential at right wall /kT = -1.68599882 ------------------------------------------------------------------------ Potential at left wall /mV = 40.8848094 Potential at right wall /mV = -43.5844843 ________________________________________________________________________ Capacitance of left DL = 0.0373976711 Capacitance of right DL = 0.0350812148 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.2229481 Capacitance of right DL [F/m2] = 1.14719724 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.13296914 Adsorption of ion 1 on right wall = -5.3708642 Adsorption of ion 2 on left wall = -3.50542123 Adsorption of ion 2 on right wall = 4.05064544 ------------------------------------------------------------------------ net charge in left DL = -10.6383904 12.7440155 net charge in right DL = 9.42150964 -12.7440155 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.559711272 Relative adsorption of ion 1 on right wall = -0.421442064 Relative adsorption of ion 2 on left wall = -0.275064105 Relative adsorption of ion 2 on right wall = 0.31784687 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00672727659 Right electrode charge = -0.00672727659 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 228 -1.00 3.0000 1.5000 Na ion: 228 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76567 Bulk concentration of Na = 0.76723 ________________________________________________________________________ Average electrode charge 1 = 0.00688497028 Average electrode charge 2 = -0.00688497028 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.357811 -1.060000 -0.528015 ________________________________________________________________________ Electrode charge exchange: 0.0614483669 Move Jump Cl: 0.94663 0.39773 Na: 0.94390 0.40345 ________________________________________________________________________ Create NaCl : 11754. / 29619. = 0.39684 Destroy NaCl : 11826. / 30057. = 0.39345 ________________________________________________________________________ Potential at left wall /kT = 1.45204671 Potential at right wall /kT = -1.52169447 ------------------------------------------------------------------------ Potential at left wall /mV = 37.5366261 Potential at right wall /mV = -39.3370791 ________________________________________________________________________ Capacitance of left DL = 0.0322588847 Capacitance of right DL = 0.0307823998 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.33203234 Capacitance of right DL [F/m2] = 1.2710654 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.03988333 Adsorption of ion 1 on right wall = -4.87879167 Adsorption of ion 2 on left wall = -3.79210332 Adsorption of ion 2 on right wall = 5.49623835 ------------------------------------------------------------------------ net charge in left DL = -10.8319867 10.0926297 net charge in right DL = 10.37503 -10.0926297 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.69752716 Relative adsorption of ion 1 on right wall = -0.483401434 Relative adsorption of ion 2 on left wall = -0.375729957 Relative adsorption of ion 2 on right wall = 0.544579412 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00580910683 Right electrode charge = -0.00580910683 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 224 -1.00 3.0000 1.5000 Na ion: 224 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76441 Bulk concentration of Na = 0.76608 ________________________________________________________________________ Average electrode charge 1 = 0.0067800627 Average electrode charge 2 = -0.0067800627 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.354674 -1.060000 -0.524878 ________________________________________________________________________ Electrode charge exchange: 0.0619337836 Move Jump Cl: 0.94561 0.39849 Na: 0.94422 0.40307 ________________________________________________________________________ Create NaCl : 17680. / 44628. = 0.39616 Destroy NaCl : 17756. / 44967. = 0.39487 ________________________________________________________________________ Potential at left wall /kT = 1.24876993 Potential at right wall /kT = -1.34059456 ------------------------------------------------------------------------ Potential at left wall /mV = 32.2817506 Potential at right wall /mV = -34.6554945 ________________________________________________________________________ Capacitance of left DL = 0.032390495 Capacitance of right DL = 0.0301718932 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.54886272 Capacitance of right DL [F/m2] = 1.44277266 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.1208843 Adsorption of ion 1 on right wall = -4.33749903 Adsorption of ion 2 on left wall = -3.44202786 Adsorption of ion 2 on right wall = 5.7377888 ------------------------------------------------------------------------ net charge in left DL = -10.5629122 8.71514101 net charge in right DL = 10.0752878 -8.71514101 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.817070463 Relative adsorption of ion 1 on right wall = -0.497696942 Relative adsorption of ion 2 on left wall = -0.39494804 Relative adsorption of ion 2 on right wall = 0.658370162 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00816150503 Right electrode charge = -0.00816150503 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 220 -1.00 3.0000 1.5000 Na ion: 220 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76946 Bulk concentration of Na = 0.76946 ________________________________________________________________________ Average electrode charge 1 = 0.00679262414 Average electrode charge 2 = -0.00679262414 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.365662 -1.060000 -0.535866 ________________________________________________________________________ Electrode charge exchange: 0.062117958 Move Jump Cl: 0.94566 0.39812 Na: 0.94432 0.40251 ________________________________________________________________________ Create NaCl : 23599. / 59627. = 0.39578 Destroy NaCl : 23679. / 60031. = 0.39445 ________________________________________________________________________ Potential at left wall /kT = 1.34458877 Potential at right wall /kT = -1.42391158 ------------------------------------------------------------------------ Potential at left wall /mV = 34.7587482 Potential at right wall /mV = -36.8093092 ________________________________________________________________________ Capacitance of left DL = 0.0422640804 Capacitance of right DL = 0.0399096468 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.43848679 Capacitance of right DL [F/m2] = 1.35835203 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.75963316 Adsorption of ion 1 on right wall = -4.792746 Adsorption of ion 2 on left wall = -4.64340333 Adsorption of ion 2 on right wall = 5.60918417 ------------------------------------------------------------------------ net charge in left DL = -10.4030365 12.2443379 net charge in right DL = 10.4019302 -12.2443379 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.470391555 Relative adsorption of ion 1 on right wall = -0.391425492 Relative adsorption of ion 2 on left wall = -0.379228616 Relative adsorption of ion 2 on right wall = 0.458104325 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00629308084 Right electrode charge = -0.00629308084 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 232 -1.00 3.0000 1.5000 Na ion: 232 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76776 Bulk concentration of Na = 0.76778 ________________________________________________________________________ Average electrode charge 1 = 0.0068105141 Average electrode charge 2 = -0.0068105141 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.361260 -1.060000 -0.531465 ________________________________________________________________________ Electrode charge exchange: 0.0621806357 Move Jump Cl: 0.94524 0.39819 Na: 0.94486 0.40236 ________________________________________________________________________ Create NaCl : 29580. / 74623. = 0.39639 Destroy NaCl : 29648. / 75058. = 0.39500 ________________________________________________________________________ Potential at left wall /kT = 1.18173995 Potential at right wall /kT = -1.27110781 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5489695 Potential at right wall /mV = -32.8592037 ________________________________________________________________________ Capacitance of left DL = 0.0370793442 Capacitance of right DL = 0.0344724043 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63671642 Capacitance of right DL [F/m2] = 1.52164369 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.56580506 Adsorption of ion 1 on right wall = -4.02256494 Adsorption of ion 2 on left wall = -4.75403511 Adsorption of ion 2 on right wall = 6.29319489 ------------------------------------------------------------------------ net charge in left DL = -10.3198402 9.44122539 net charge in right DL = 10.3157598 -9.44122539 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.589521469 Relative adsorption of ion 1 on right wall = -0.426063861 Relative adsorption of ion 2 on left wall = -0.503540051 Relative adsorption of ion 2 on right wall = 0.666565475 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00312356156 Right electrode charge = -0.00312356156 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 235 -1.00 3.0000 1.5000 Na ion: 235 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77148 Bulk concentration of Na = 0.77076 ________________________________________________________________________ Average electrode charge 1 = 0.00693533906 Average electrode charge 2 = -0.00693533906 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369979 -1.060000 -0.540183 ________________________________________________________________________ Electrode charge exchange: 0.0619070012 Move Jump Cl: 0.94515 0.39791 Na: 0.94443 0.40114 ________________________________________________________________________ Create NaCl : 35532. / 89545. = 0.39681 Destroy NaCl : 35597. / 89984. = 0.39559 ________________________________________________________________________ Potential at left wall /kT = 1.14593557 Potential at right wall /kT = -1.2059617 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6233962 Potential at right wall /mV = -31.1751219 ________________________________________________________________________ Capacitance of left DL = 0.0189793145 Capacitance of right DL = 0.0180346288 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68785509 Capacitance of right DL [F/m2] = 1.60384297 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.26223701 Adsorption of ion 1 on right wall = -4.63448799 Adsorption of ion 2 on left wall = -5.09094872 Adsorption of ion 2 on right wall = 5.92976517 ------------------------------------------------------------------------ net charge in left DL = -10.3531857 4.68613854 net charge in right DL = 10.5642532 -4.68613854 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.12293671 Relative adsorption of ion 1 on right wall = -0.988978014 Relative adsorption of ion 2 on left wall = -1.08638459 Relative adsorption of ion 2 on right wall = 1.26538409 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00839077777 Right electrode charge = -0.00839077777 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 251 -1.00 3.0000 1.5000 Na ion: 251 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77153 Bulk concentration of Na = 0.77119 ________________________________________________________________________ Average electrode charge 1 = 0.00687105673 Average electrode charge 2 = -0.00687105673 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370587 -1.060000 -0.540791 ________________________________________________________________________ Electrode charge exchange: 0.0625386702 Move Jump Cl: 0.94491 0.39751 Na: 0.94481 0.40000 ________________________________________________________________________ Create NaCl : 41446. / 104634. = 0.39610 Destroy NaCl : 41495. / 104902. = 0.39556 ________________________________________________________________________ Potential at left wall /kT = 1.14658016 Potential at right wall /kT = -1.18423122 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6400593 Potential at right wall /mV = -30.6133708 ________________________________________________________________________ Capacitance of left DL = 0.0509551928 Capacitance of right DL = 0.0493351401 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6869062 Capacitance of right DL [F/m2] = 1.63327326 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.36555367 Adsorption of ion 1 on right wall = -4.22825823 Adsorption of ion 2 on left wall = -4.94823525 Adsorption of ion 2 on right wall = 6.18503856 ------------------------------------------------------------------------ net charge in left DL = -10.3137889 12.5883055 net charge in right DL = 10.4132968 -12.5883055 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.426233195 Relative adsorption of ion 1 on right wall = -0.335887799 Relative adsorption of ion 2 on left wall = -0.393081917 Relative adsorption of ion 2 on right wall = 0.491332098 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00788181011 Right electrode charge = -0.00788181011 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 250 -1.00 3.0000 1.5000 Na ion: 250 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77068 Bulk concentration of Na = 0.77075 ________________________________________________________________________ Average electrode charge 1 = 0.00680614073 Average electrode charge 2 = -0.00680614073 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.368913 -1.060000 -0.539118 ________________________________________________________________________ Electrode charge exchange: 0.0628832436 Move Jump Cl: 0.94433 0.39770 Na: 0.94464 0.40017 ________________________________________________________________________ Create NaCl : 47494. / 119719. = 0.39671 Destroy NaCl : 47544. / 119933. = 0.39642 ________________________________________________________________________ Potential at left wall /kT = 1.18158821 Potential at right wall /kT = -1.20088819 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5450469 Potential at right wall /mV = -31.0439675 ________________________________________________________________________ Capacitance of left DL = 0.0464462302 Capacitance of right DL = 0.0456997734 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63692661 Capacitance of right DL [F/m2] = 1.61061888 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.18947123 Adsorption of ion 1 on right wall = -4.14328919 Adsorption of ion 2 on left wall = -5.11068947 Adsorption of ion 2 on right wall = 6.13710428 ------------------------------------------------------------------------ net charge in left DL = -10.3001607 11.8247243 net charge in right DL = 10.2803935 -11.8247243 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.438866151 Relative adsorption of ion 1 on right wall = -0.350392034 Relative adsorption of ion 2 on left wall = -0.432203691 Relative adsorption of ion 2 on right wall = 0.519006121 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00905802153 Right electrode charge = -0.00905802153 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 224 -1.00 3.0000 1.5000 Na ion: 224 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76887 Bulk concentration of Na = 0.76875 ________________________________________________________________________ Average electrode charge 1 = 0.00689321248 Average electrode charge 2 = -0.00689321248 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.363977 -1.060000 -0.534182 ________________________________________________________________________ Electrode charge exchange: 0.0632754342 Move Jump Cl: 0.94419 0.39802 Na: 0.94441 0.40013 ________________________________________________________________________ Create NaCl : 53414. / 134657. = 0.39667 Destroy NaCl : 53490. / 134992. = 0.39625 ________________________________________________________________________ Potential at left wall /kT = 1.21965415 Potential at right wall /kT = -1.23653069 ------------------------------------------------------------------------ Potential at left wall /mV = 31.5290834 Potential at right wall /mV = -31.9653561 ________________________________________________________________________ Capacitance of left DL = 0.0517115199 Capacitance of right DL = 0.0510057456 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.58583741 Capacitance of right DL [F/m2] = 1.56419343 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.59689102 Adsorption of ion 1 on right wall = -4.19099231 Adsorption of ion 2 on left wall = -4.8256128 Adsorption of ion 2 on right wall = 6.26670387 ------------------------------------------------------------------------ net charge in left DL = -10.4225038 13.5893412 net charge in right DL = 10.4576962 -13.5893412 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.411858892 Relative adsorption of ion 1 on right wall = -0.308402905 Relative adsorption of ion 2 on left wall = -0.355102776 Relative adsorption of ion 2 on right wall = 0.461148467 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00606753758 Right electrode charge = -0.00606753758 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 229 -1.00 3.0000 1.5000 Na ion: 229 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77073 Bulk concentration of Na = 0.77058 ________________________________________________________________________ Average electrode charge 1 = 0.00690322746 Average electrode charge 2 = -0.00690322746 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.368770 -1.060000 -0.538974 ________________________________________________________________________ Electrode charge exchange: 0.063101711 Move Jump Cl: 0.94383 0.39789 Na: 0.94412 0.39868 ________________________________________________________________________ Create NaCl : 59287. / 149636. = 0.39621 Destroy NaCl : 59358. / 150000. = 0.39572 ________________________________________________________________________ Potential at left wall /kT = 1.18591349 Potential at right wall /kT = -1.21147749 ------------------------------------------------------------------------ Potential at left wall /mV = 30.656859 Potential at right wall /mV = -31.3177097 ________________________________________________________________________ Capacitance of left DL = 0.0356246099 Capacitance of right DL = 0.0348728771 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63095639 Capacitance of right DL [F/m2] = 1.59654076 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.65274802 Adsorption of ion 1 on right wall = -4.30282698 Adsorption of ion 2 on left wall = -4.75717326 Adsorption of ion 2 on right wall = 6.15319507 ------------------------------------------------------------------------ net charge in left DL = -10.4099213 9.10285301 net charge in right DL = 10.4560221 -9.10285301 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.620986411 Relative adsorption of ion 1 on right wall = -0.472689933 Relative adsorption of ion 2 on left wall = -0.522602447 Relative adsorption of ion 2 on right wall = 0.675963356 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00857436752 Right electrode charge = -0.00857436752 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 246 -1.00 3.0000 1.5000 Na ion: 246 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76958 Bulk concentration of Na = 0.76941 ________________________________________________________________________ Average electrode charge 1 = 0.00693445661 Average electrode charge 2 = -0.00693445661 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.365758 -1.060000 -0.535962 ________________________________________________________________________ Electrode charge exchange: 0.0631287117 Move Jump Cl: 0.94338 0.39782 Na: 0.94404 0.39889 ________________________________________________________________________ Create NaCl : 65219. / 164540. = 0.39637 Destroy NaCl : 65273. / 165049. = 0.39548 ________________________________________________________________________ Potential at left wall /kT = 1.14423288 Potential at right wall /kT = -1.17955458 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5793802 Potential at right wall /mV = -30.4924759 ________________________________________________________________________ Capacitance of left DL = 0.0521769061 Capacitance of right DL = 0.0506144713 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69036672 Capacitance of right DL [F/m2] = 1.63974878 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.57791451 Adsorption of ion 1 on right wall = -4.25539458 Adsorption of ion 2 on left wall = -4.85009238 Adsorption of ion 2 on right wall = 6.22094701 ------------------------------------------------------------------------ net charge in left DL = -10.4280069 12.8637369 net charge in right DL = 10.4763416 -12.8637369 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.433615406 Relative adsorption of ion 1 on right wall = -0.330805473 Relative adsorption of ion 2 on left wall = -0.377036036 Relative adsorption of ion 2 on right wall = 0.483603408 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0071448563 Right electrode charge = -0.0071448563 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 211 -1.00 3.0000 1.5000 Na ion: 211 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77045 Bulk concentration of Na = 0.77011 ________________________________________________________________________ Average electrode charge 1 = 0.0070437562 Average electrode charge 2 = -0.0070437562 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367788 -1.060000 -0.537993 ________________________________________________________________________ Electrode charge exchange: 0.0632841046 Move Jump Cl: 0.94339 0.39718 Na: 0.94410 0.39865 ________________________________________________________________________ Create NaCl : 71098. / 179597. = 0.39588 Destroy NaCl : 71187. / 179946. = 0.39560 ________________________________________________________________________ Potential at left wall /kT = 1.10095057 Potential at right wall /kT = -1.13985148 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4604961 Potential at right wall /mV = -29.4661172 ________________________________________________________________________ Capacitance of left DL = 0.0451872937 Capacitance of right DL = 0.0436451394 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.7568211 Capacitance of right DL [F/m2] = 1.69686422 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.74315641 Adsorption of ion 1 on right wall = -4.51044498 Adsorption of ion 2 on left wall = -4.78512984 Adsorption of ion 2 on right wall = 6.11669099 ------------------------------------------------------------------------ net charge in left DL = -10.5282862 10.7191057 net charge in right DL = 10.627136 -10.7191057 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.535786899 Relative adsorption of ion 1 on right wall = -0.420785568 Relative adsorption of ion 2 on left wall = -0.446411293 Relative adsorption of ion 2 on right wall = 0.57063445 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00983720025 Right electrode charge = -0.00983720025 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 232 -1.00 3.0000 1.5000 Na ion: 232 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76964 Bulk concentration of Na = 0.76936 ________________________________________________________________________ Average electrode charge 1 = 0.00708245635 Average electrode charge 2 = -0.00708245635 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.365770 -1.060000 -0.535975 ________________________________________________________________________ Electrode charge exchange: 0.0627075826 Move Jump Cl: 0.94343 0.39712 Na: 0.94421 0.39798 ________________________________________________________________________ Create NaCl : 76993. / 194618. = 0.39561 Destroy NaCl : 77061. / 194803. = 0.39558 ________________________________________________________________________ Potential at left wall /kT = 1.14038955 Potential at right wall /kT = -1.18256369 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4800269 Potential at right wall /mV = -30.5702638 ________________________________________________________________________ Capacitance of left DL = 0.0600632648 Capacitance of right DL = 0.0579212098 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69606358 Capacitance of right DL [F/m2] = 1.63557633 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.92439933 Adsorption of ion 1 on right wall = -4.41529682 Adsorption of ion 2 on left wall = -4.69896185 Adsorption of ion 2 on right wall = 6.288142 ------------------------------------------------------------------------ net charge in left DL = -10.6233612 14.7583079 net charge in right DL = 10.7034388 -14.7583079 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.401428088 Relative adsorption of ion 1 on right wall = -0.299173648 Relative adsorption of ion 2 on left wall = -0.31839435 Relative adsorption of ion 2 on right wall = 0.426074726 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00708156408 Right electrode charge = -0.00708156408 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 242 -1.00 3.0000 1.5000 Na ion: 242 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76982 Bulk concentration of Na = 0.76929 ________________________________________________________________________ Average electrode charge 1 = 0.00710924332 Average electrode charge 2 = -0.00710924332 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.365914 -1.060000 -0.536118 ________________________________________________________________________ Electrode charge exchange: 0.0628875427 Move Jump Cl: 0.94338 0.39725 Na: 0.94393 0.39775 ________________________________________________________________________ Create NaCl : 82895. / 209561. = 0.39557 Destroy NaCl : 82953. / 209792. = 0.39541 ________________________________________________________________________ Potential at left wall /kT = 1.13433895 Potential at right wall /kT = -1.17190044 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3236137 Potential at right wall /mV = -30.2946098 ________________________________________________________________________ Capacitance of left DL = 0.0434687346 Capacitance of right DL = 0.0420754845 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70511044 Capacitance of right DL [F/m2] = 1.65045862 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.9123407 Adsorption of ion 1 on right wall = -4.45553073 Adsorption of ion 2 on left wall = -4.70619738 Adsorption of ion 2 on right wall = 6.31684547 ------------------------------------------------------------------------ net charge in left DL = -10.6185381 10.6241512 net charge in right DL = 10.7723762 -10.6241512 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55650005 Relative adsorption of ion 1 on right wall = -0.41937757 Relative adsorption of ion 2 on left wall = -0.44297161 Relative adsorption of ion 2 on right wall = 0.594574129 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00545232663 Right electrode charge = -0.00545232663 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 233 -1.00 3.0000 1.5000 Na ion: 233 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77127 Bulk concentration of Na = 0.77077 ________________________________________________________________________ Average electrode charge 1 = 0.0071683966 Average electrode charge 2 = -0.0071683966 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369708 -1.060000 -0.539913 ________________________________________________________________________ Electrode charge exchange: 0.062880032 Move Jump Cl: 0.94353 0.39727 Na: 0.94396 0.39733 ________________________________________________________________________ Create NaCl : 88695. / 224562. = 0.39497 Destroy NaCl : 88762. / 224753. = 0.39493 ________________________________________________________________________ Potential at left wall /kT = 1.15042296 Potential at right wall /kT = -1.17506683 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7393989 Potential at right wall /mV = -30.3764638 ________________________________________________________________________ Capacitance of left DL = 0.0330000788 Capacitance of right DL = 0.0323079907 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68127137 Capacitance of right DL [F/m2] = 1.64601121 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.00892892 Adsorption of ion 1 on right wall = -4.63816664 Adsorption of ion 2 on left wall = -4.70467857 Adsorption of ion 2 on right wall = 6.22355032 ------------------------------------------------------------------------ net charge in left DL = -10.7136075 8.17987977 net charge in right DL = 10.861717 -8.17987977 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.734598685 Relative adsorption of ion 1 on right wall = -0.567021371 Relative adsorption of ion 2 on left wall = -0.575152534 Relative adsorption of ion 2 on right wall = 0.760836405 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00642780807 Right electrode charge = -0.00642780807 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 223 -1.00 3.0000 1.5000 Na ion: 223 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77161 Bulk concentration of Na = 0.77076 ________________________________________________________________________ Average electrode charge 1 = 0.00718984351 Average electrode charge 2 = -0.00718984351 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370152 -1.060000 -0.540356 ________________________________________________________________________ Electrode charge exchange: 0.0631272425 Move Jump Cl: 0.94328 0.39744 Na: 0.94360 0.39760 ________________________________________________________________________ Create NaCl : 94629. / 239640. = 0.39488 Destroy NaCl : 94706. / 239740. = 0.39504 ________________________________________________________________________ Potential at left wall /kT = 1.20846246 Potential at right wall /kT = -1.2330609 ------------------------------------------------------------------------ Potential at left wall /mV = 31.2397688 Potential at right wall /mV = -31.8756591 ________________________________________________________________________ Capacitance of left DL = 0.0370356856 Capacitance of right DL = 0.0362968575 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.60052401 Capacitance of right DL [F/m2] = 1.56859502 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.96126253 Adsorption of ion 1 on right wall = -4.75647914 Adsorption of ion 2 on left wall = -4.77325389 Adsorption of ion 2 on right wall = 6.22701902 ------------------------------------------------------------------------ net charge in left DL = -10.7345164 9.64335059 net charge in right DL = 10.9834982 -9.64335059 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.61817337 Relative adsorption of ion 1 on right wall = -0.493239264 Relative adsorption of ion 2 on left wall = -0.494978779 Relative adsorption of ion 2 on right wall = 0.645731892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00546641343 Right electrode charge = -0.00546641343 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 226 -1.00 3.0000 1.5000 Na ion: 226 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77122 Bulk concentration of Na = 0.77011 ________________________________________________________________________ Average electrode charge 1 = 0.00716814842 Average electrode charge 2 = -0.00716814842 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.368791 -1.060000 -0.538995 ________________________________________________________________________ Electrode charge exchange: 0.0633785595 Move Jump Cl: 0.94336 0.39775 Na: 0.94340 0.39748 ________________________________________________________________________ Create NaCl : 100596. / 254692. = 0.39497 Destroy NaCl : 100670. / 254671. = 0.39529 ________________________________________________________________________ Potential at left wall /kT = 1.20350237 Potential at right wall /kT = -1.22812204 ------------------------------------------------------------------------ Potential at left wall /mV = 31.1115461 Potential at right wall /mV = -31.7479853 ________________________________________________________________________ Capacitance of left DL = 0.0316261393 Capacitance of right DL = 0.0309921427 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.60712039 Capacitance of right DL [F/m2] = 1.57490308 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.91556735 Adsorption of ion 1 on right wall = -4.65490912 Adsorption of ion 2 on left wall = -4.7479373 Adsorption of ion 2 on right wall = 6.33341172 ------------------------------------------------------------------------ net charge in left DL = -10.6635046 8.20101356 net charge in right DL = 10.9883208 -8.20101356 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.721321493 Relative adsorption of ion 1 on right wall = -0.567601686 Relative adsorption of ion 2 on left wall = -0.578945184 Relative adsorption of ion 2 on right wall = 0.772271826 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00482386341 Right electrode charge = -0.00482386341 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 239 -1.00 3.0000 1.5000 Na ion: 239 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77080 Bulk concentration of Na = 0.76966 ________________________________________________________________________ Average electrode charge 1 = 0.00715161913 Average electrode charge 2 = -0.00715161913 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367656 -1.060000 -0.537861 ________________________________________________________________________ Electrode charge exchange: 0.0635837082 Move Jump Cl: 0.94321 0.39770 Na: 0.94341 0.39774 ________________________________________________________________________ Create NaCl : 106554. / 269635. = 0.39518 Destroy NaCl : 106615. / 269636. = 0.39540 ________________________________________________________________________ Potential at left wall /kT = 1.19529727 Potential at right wall /kT = -1.22440105 ------------------------------------------------------------------------ Potential at left wall /mV = 30.8994375 Potential at right wall /mV = -31.6517947 ________________________________________________________________________ Capacitance of left DL = 0.0281002205 Capacitance of right DL = 0.0274322835 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.61815243 Capacitance of right DL [F/m2] = 1.57968925 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.81345498 Adsorption of ion 1 on right wall = -4.48345983 Adsorption of ion 2 on left wall = -4.81820579 Adsorption of ion 2 on right wall = 6.48097199 ------------------------------------------------------------------------ net charge in left DL = -10.6316608 7.23702474 net charge in right DL = 10.9644318 -7.23702474 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.803293507 Relative adsorption of ion 1 on right wall = -0.619516996 Relative adsorption of ion 2 on left wall = -0.665771634 Relative adsorption of ion 2 on right wall = 0.895529892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00955382464 Right electrode charge = -0.00955382464 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 241 -1.00 3.0000 1.5000 Na ion: 241 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77059 Bulk concentration of Na = 0.76946 ________________________________________________________________________ Average electrode charge 1 = 0.00715914189 Average electrode charge 2 = -0.00715914189 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367131 -1.060000 -0.537335 ________________________________________________________________________ Electrode charge exchange: 0.0638575418 Move Jump Cl: 0.94348 0.39796 Na: 0.94338 0.39731 ________________________________________________________________________ Create NaCl : 112506. / 284618. = 0.39529 Destroy NaCl : 112565. / 284629. = 0.39548 ________________________________________________________________________ Potential at left wall /kT = 1.20750937 Potential at right wall /kT = -1.24366013 ------------------------------------------------------------------------ Potential at left wall /mV = 31.2151306 Potential at right wall /mV = -32.149658 ________________________________________________________________________ Capacitance of left DL = 0.0550905881 Capacitance of right DL = 0.0534892128 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.60178731 Capacitance of right DL [F/m2] = 1.5552265 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.83491439 Adsorption of ion 1 on right wall = -4.41033736 Adsorption of ion 2 on left wall = -4.81821307 Adsorption of ion 2 on right wall = 6.57555096 ------------------------------------------------------------------------ net charge in left DL = -10.6531275 14.3331723 net charge in right DL = 10.9858883 -14.3331723 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.407091625 Relative adsorption of ion 1 on right wall = -0.307701413 Relative adsorption of ion 2 on left wall = -0.336158178 Relative adsorption of ion 2 on right wall = 0.458764525 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00627995903 Right electrode charge = -0.00627995903 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 227 -1.00 3.0000 1.5000 Na ion: 227 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77022 Bulk concentration of Na = 0.76922 ________________________________________________________________________ Average electrode charge 1 = 0.00714543985 Average electrode charge 2 = -0.00714543985 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.366339 -1.060000 -0.536543 ________________________________________________________________________ Electrode charge exchange: 0.0640649298 Move Jump Cl: 0.94331 0.39781 Na: 0.94304 0.39749 ________________________________________________________________________ Create NaCl : 118439. / 299535. = 0.39541 Destroy NaCl : 118512. / 299706. = 0.39543 ________________________________________________________________________ Potential at left wall /kT = 1.14049183 Potential at right wall /kT = -1.17379678 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4826708 Potential at right wall /mV = -30.3436319 ________________________________________________________________________ Capacitance of left DL = 0.0383402806 Capacitance of right DL = 0.0372524249 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69591149 Capacitance of right DL [F/m2] = 1.6477922 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.8438893 Adsorption of ion 1 on right wall = -4.40696237 Adsorption of ion 2 on left wall = -4.7590366 Adsorption of ion 2 on right wall = 6.48893673 ------------------------------------------------------------------------ net charge in left DL = -10.6029259 9.42153934 net charge in right DL = 10.8958991 -9.42153934 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.620269055 Relative adsorption of ion 1 on right wall = -0.467753964 Relative adsorption of ion 2 on left wall = -0.505123041 Relative adsorption of ion 2 on right wall = 0.688734239 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00588026479 Right electrode charge = -0.00588026479 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 218 -1.00 3.0000 1.5000 Na ion: 218 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77051 Bulk concentration of Na = 0.76962 ________________________________________________________________________ Average electrode charge 1 = 0.00712647593 Average electrode charge 2 = -0.00712647593 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367232 -1.060000 -0.537436 ________________________________________________________________________ Electrode charge exchange: 0.0642760916 Move Jump Cl: 0.94353 0.39786 Na: 0.94316 0.39763 ________________________________________________________________________ Create NaCl : 124436. / 314579. = 0.39556 Destroy NaCl : 124518. / 314683. = 0.39569 ________________________________________________________________________ Potential at left wall /kT = 1.14966524 Potential at right wall /kT = -1.18168935 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7198114 Potential at right wall /mV = -30.5476613 ________________________________________________________________________ Capacitance of left DL = 0.0356136211 Capacitance of right DL = 0.0346484822 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68237945 Capacitance of right DL [F/m2] = 1.63678651 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.80942779 Adsorption of ion 1 on right wall = -4.56195713 Adsorption of ion 2 on left wall = -4.78951338 Adsorption of ion 2 on right wall = 6.29720964 ------------------------------------------------------------------------ net charge in left DL = -10.5989412 8.82189609 net charge in right DL = 10.8591668 -8.82189609 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.658523716 Relative adsorption of ion 1 on right wall = -0.517117531 Relative adsorption of ion 2 on left wall = -0.542912015 Relative adsorption of ion 2 on right wall = 0.713815893 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00539402948 Right electrode charge = -0.00539402948 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 213 -1.00 3.0000 1.5000 Na ion: 213 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77097 Bulk concentration of Na = 0.77008 ________________________________________________________________________ Average electrode charge 1 = 0.00713759674 Average electrode charge 2 = -0.00713759674 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.368424 -1.060000 -0.538629 ________________________________________________________________________ Electrode charge exchange: 0.0641940518 Move Jump Cl: 0.94339 0.39819 Na: 0.94317 0.39762 ________________________________________________________________________ Create NaCl : 130357. / 329503. = 0.39562 Destroy NaCl : 130444. / 329606. = 0.39576 ________________________________________________________________________ Potential at left wall /kT = 1.15900693 Potential at right wall /kT = -1.19417334 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9613017 Potential at right wall /mV = -30.8703829 ________________________________________________________________________ Capacitance of left DL = 0.032405441 Capacitance of right DL = 0.031451155 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66881935 Capacitance of right DL [F/m2] = 1.61967541 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.83517965 Adsorption of ion 1 on right wall = -4.68133247 Adsorption of ion 2 on left wall = -4.7882429 Adsorption of ion 2 on right wall = 6.20332226 ------------------------------------------------------------------------ net charge in left DL = -10.6234225 8.09241918 net charge in right DL = 10.8846547 -8.09241918 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.721067399 Relative adsorption of ion 1 on right wall = -0.578483685 Relative adsorption of ion 2 on left wall = -0.591694867 Relative adsorption of ion 2 on right wall = 0.766559679 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00576376533 Right electrode charge = -0.00576376533 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 245 -1.00 3.0000 1.5000 Na ion: 245 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77123 Bulk concentration of Na = 0.77065 ________________________________________________________________________ Average electrode charge 1 = 0.00710549696 Average electrode charge 2 = -0.00710549696 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369509 -1.060000 -0.539713 ________________________________________________________________________ Electrode charge exchange: 0.0640221375 Move Jump Cl: 0.94322 0.39791 Na: 0.94314 0.39754 ________________________________________________________________________ Create NaCl : 136243. / 344416. = 0.39558 Destroy NaCl : 136298. / 344576. = 0.39555 ________________________________________________________________________ Potential at left wall /kT = 1.17585747 Potential at right wall /kT = -1.21108348 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3969022 Potential at right wall /mV = -31.3075242 ________________________________________________________________________ Capacitance of left DL = 0.0341304695 Capacitance of right DL = 0.0331377383 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64490446 Capacitance of right DL [F/m2] = 1.59706017 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.86135441 Adsorption of ion 1 on right wall = -4.65979051 Adsorption of ion 2 on left wall = -4.77415659 Adsorption of ion 2 on right wall = 6.14610139 ------------------------------------------------------------------------ net charge in left DL = -10.635511 8.6471172 net charge in right DL = 10.8058919 -8.6471172 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.677839132 Relative adsorption of ion 1 on right wall = -0.5388837 Relative adsorption of ion 2 on left wall = -0.552109619 Relative adsorption of ion 2 on right wall = 0.710768831 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0082705897 Right electrode charge = -0.0082705897 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 209 -1.00 3.0000 1.5000 Na ion: 209 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77122 Bulk concentration of Na = 0.77054 ________________________________________________________________________ Average electrode charge 1 = 0.00711410868 Average electrode charge 2 = -0.00711410868 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369355 -1.060000 -0.539560 ________________________________________________________________________ Electrode charge exchange: 0.0640054437 Move Jump Cl: 0.94316 0.39773 Na: 0.94291 0.39739 ________________________________________________________________________ Create NaCl : 142197. / 359387. = 0.39567 Destroy NaCl : 142288. / 359552. = 0.39574 ________________________________________________________________________ Potential at left wall /kT = 1.14763838 Potential at right wall /kT = -1.18249911 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6674151 Potential at right wall /mV = -30.5685944 ________________________________________________________________________ Capacitance of left DL = 0.0501790075 Capacitance of right DL = 0.0486997022 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68535074 Capacitance of right DL [F/m2] = 1.63566566 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.91423237 Adsorption of ion 1 on right wall = -4.59998429 Adsorption of ion 2 on left wall = -4.69926492 Adsorption of ion 2 on right wall = 6.2110823 ------------------------------------------------------------------------ net charge in left DL = -10.6134973 12.4079928 net charge in right DL = 10.8110666 -12.4079928 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.476646988 Relative adsorption of ion 1 on right wall = -0.370727513 Relative adsorption of ion 2 on left wall = -0.378728857 Relative adsorption of ion 2 on right wall = 0.500571078 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00666119802 Right electrode charge = -0.00666119802 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 233 -1.00 3.0000 1.5000 Na ion: 233 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77130 Bulk concentration of Na = 0.77052 ________________________________________________________________________ Average electrode charge 1 = 0.00711037953 Average electrode charge 2 = -0.00711037953 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369425 -1.060000 -0.539630 ________________________________________________________________________ Electrode charge exchange: 0.0640398683 Move Jump Cl: 0.94326 0.39796 Na: 0.94297 0.39742 ________________________________________________________________________ Create NaCl : 148084. / 374312. = 0.39562 Destroy NaCl : 148151. / 374491. = 0.39561 ________________________________________________________________________ Potential at left wall /kT = 1.18561875 Potential at right wall /kT = -1.21385946 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6492396 Potential at right wall /mV = -31.3792858 ________________________________________________________________________ Capacitance of left DL = 0.0391199183 Capacitance of right DL = 0.0382097846 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63136184 Capacitance of right DL [F/m2] = 1.59340784 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.78730918 Adsorption of ion 1 on right wall = -4.62283349 Adsorption of ion 2 on left wall = -4.83087787 Adsorption of ion 2 on right wall = 6.22337146 ------------------------------------------------------------------------ net charge in left DL = -10.6181871 9.993495 net charge in right DL = 10.8462049 -9.993495 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.579107627 Relative adsorption of ion 1 on right wall = -0.462584259 Relative adsorption of ion 2 on left wall = -0.48340224 Relative adsorption of ion 2 on right wall = 0.62274224 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00712375191 Right electrode charge = -0.00712375191 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 245 -1.00 3.0000 1.5000 Na ion: 245 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77176 Bulk concentration of Na = 0.77100 ________________________________________________________________________ Average electrode charge 1 = 0.00710085189 Average electrode charge 2 = -0.00710085189 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370644 -1.060000 -0.540848 ________________________________________________________________________ Electrode charge exchange: 0.0638866288 Move Jump Cl: 0.94328 0.39771 Na: 0.94297 0.39708 ________________________________________________________________________ Create NaCl : 153901. / 389395. = 0.39523 Destroy NaCl : 153956. / 389341. = 0.39543 ________________________________________________________________________ Potential at left wall /kT = 1.24318977 Potential at right wall /kT = -1.26594145 ------------------------------------------------------------------------ Potential at left wall /mV = 32.137499 Potential at right wall /mV = -32.725649 ________________________________________________________________________ Capacitance of left DL = 0.0398989999 Capacitance of right DL = 0.0391819294 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.55581491 Capacitance of right DL [F/m2] = 1.52785358 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.7879491 Adsorption of ion 1 on right wall = -4.61248359 Adsorption of ion 2 on left wall = -4.8569229 Adsorption of ion 2 on right wall = 6.25708286 ------------------------------------------------------------------------ net charge in left DL = -10.644872 10.6874437 net charge in right DL = 10.8695665 -10.6874437 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.54156534 Relative adsorption of ion 1 on right wall = -0.431579684 Relative adsorption of ion 2 on left wall = -0.454451319 Relative adsorption of ion 2 on right wall = 0.585461128 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00638022969 Right electrode charge = -0.00638022969 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 223 -1.00 3.0000 1.5000 Na ion: 223 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77188 Bulk concentration of Na = 0.77112 ________________________________________________________________________ Average electrode charge 1 = 0.00710777019 Average electrode charge 2 = -0.00710777019 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370966 -1.060000 -0.541171 ________________________________________________________________________ Electrode charge exchange: 0.063937593 Move Jump Cl: 0.94327 0.39796 Na: 0.94304 0.39716 ________________________________________________________________________ Create NaCl : 159890. / 404403. = 0.39537 Destroy NaCl : 159967. / 404398. = 0.39557 ________________________________________________________________________ Potential at left wall /kT = 1.24287989 Potential at right wall /kT = -1.26122753 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1294882 Potential at right wall /mV = -32.60379 ________________________________________________________________________ Capacitance of left DL = 0.03574356 Capacitance of right DL = 0.0352235825 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.55620282 Capacitance of right DL [F/m2] = 1.53356404 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.76596055 Adsorption of ion 1 on right wall = -4.65683883 Adsorption of ion 2 on left wall = -4.88798264 Adsorption of ion 2 on right wall = 6.21987847 ------------------------------------------------------------------------ net charge in left DL = -10.6539432 9.57197088 net charge in right DL = 10.8767173 -9.57197088 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.602379658 Relative adsorption of ion 1 on right wall = -0.486507835 Relative adsorption of ion 2 on left wall = -0.51065582 Relative adsorption of ion 2 on right wall = 0.649801232 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00810111555 Right electrode charge = -0.00810111555 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 241 -1.00 3.0000 1.5000 Na ion: 241 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77169 Bulk concentration of Na = 0.77081 ________________________________________________________________________ Average electrode charge 1 = 0.00708170366 Average electrode charge 2 = -0.00708170366 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370308 -1.060000 -0.540512 ________________________________________________________________________ Electrode charge exchange: 0.0637799117 Move Jump Cl: 0.94311 0.39793 Na: 0.94318 0.39712 ________________________________________________________________________ Create NaCl : 165917. / 419540. = 0.39547 Destroy NaCl : 165976. / 419414. = 0.39573 ________________________________________________________________________ Potential at left wall /kT = 1.25787456 Potential at right wall /kT = -1.27467495 ------------------------------------------------------------------------ Potential at left wall /mV = 32.5171129 Potential at right wall /mV = -32.9514171 ________________________________________________________________________ Capacitance of left DL = 0.0448433601 Capacitance of right DL = 0.0442523184 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.53765189 Capacitance of right DL [F/m2] = 1.51738542 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.76765585 Adsorption of ion 1 on right wall = -4.55664653 Adsorption of ion 2 on left wall = -4.84189123 Adsorption of ion 2 on right wall = 6.31037663 ------------------------------------------------------------------------ net charge in left DL = -10.6095471 12.1537383 net charge in right DL = 10.8670232 -12.1537383 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.474558172 Relative adsorption of ion 1 on right wall = -0.374917281 Relative adsorption of ion 2 on left wall = -0.39838699 Relative adsorption of ion 2 on right wall = 0.51921281 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00859200193 Right electrode charge = -0.00859200193 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 217 -1.00 3.0000 1.5000 Na ion: 217 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77186 Bulk concentration of Na = 0.77092 ________________________________________________________________________ Average electrode charge 1 = 0.00709115243 Average electrode charge 2 = -0.00709115243 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370674 -1.060000 -0.540879 ________________________________________________________________________ Electrode charge exchange: 0.0636853411 Move Jump Cl: 0.94313 0.39786 Na: 0.94306 0.39711 ________________________________________________________________________ Create NaCl : 171693. / 434500. = 0.39515 Destroy NaCl : 171776. / 434440. = 0.39540 ________________________________________________________________________ Potential at left wall /kT = 1.25642621 Potential at right wall /kT = -1.27163768 ------------------------------------------------------------------------ Potential at left wall /mV = 32.479672 Potential at right wall /mV = -32.8729011 ________________________________________________________________________ Capacitance of left DL = 0.0476154651 Capacitance of right DL = 0.0470458838 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.53942441 Capacitance of right DL [F/m2] = 1.52100966 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.82590795 Adsorption of ion 1 on right wall = -4.6681455 Adsorption of ion 2 on left wall = -4.78712704 Adsorption of ion 2 on right wall = 6.22035055 ------------------------------------------------------------------------ net charge in left DL = -10.613035 12.890193 net charge in right DL = 10.888496 -12.890193 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.451964368 Relative adsorption of ion 1 on right wall = -0.362147059 Relative adsorption of ion 2 on left wall = -0.371377452 Relative adsorption of ion 2 on right wall = 0.482564577 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00765003162 Right electrode charge = -0.00765003162 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 228 -1.00 3.0000 1.5000 Na ion: 228 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77228 Bulk concentration of Na = 0.77135 ________________________________________________________________________ Average electrode charge 1 = 0.00707290452 Average electrode charge 2 = -0.00707290452 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371774 -1.060000 -0.541978 ________________________________________________________________________ Electrode charge exchange: 0.0637264695 Move Jump Cl: 0.94316 0.39794 Na: 0.94312 0.39699 ________________________________________________________________________ Create NaCl : 177706. / 449547. = 0.39530 Destroy NaCl : 177778. / 449627. = 0.39539 ________________________________________________________________________ Potential at left wall /kT = 1.24549004 Potential at right wall /kT = -1.25576855 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1969627 Potential at right wall /mV = -32.4626708 ________________________________________________________________________ Capacitance of left DL = 0.0427674765 Capacitance of right DL = 0.0424174231 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.55294152 Capacitance of right DL [F/m2] = 1.54023063 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.74061442 Adsorption of ion 1 on right wall = -4.69856669 Adsorption of ion 2 on left wall = -4.83618589 Adsorption of ion 2 on right wall = 6.15327856 ------------------------------------------------------------------------ net charge in left DL = -10.5768003 11.4769974 net charge in right DL = 10.8518452 -11.4769974 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.500184343 Relative adsorption of ion 1 on right wall = -0.409389887 Relative adsorption of ion 2 on left wall = -0.421380758 Relative adsorption of ion 2 on right wall = 0.5361401 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00591753628 Right electrode charge = -0.00591753628 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 240 -1.00 3.0000 1.5000 Na ion: 240 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77219 Bulk concentration of Na = 0.77127 ________________________________________________________________________ Average electrode charge 1 = 0.00707028194 Average electrode charge 2 = -0.00707028194 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371551 -1.060000 -0.541756 ________________________________________________________________________ Electrode charge exchange: 0.0637215399 Move Jump Cl: 0.94327 0.39789 Na: 0.94323 0.39697 ________________________________________________________________________ Create NaCl : 183664. / 464644. = 0.39528 Destroy NaCl : 183724. / 464676. = 0.39538 ________________________________________________________________________ Potential at left wall /kT = 1.2125004 Potential at right wall /kT = -1.22696186 ------------------------------------------------------------------------ Potential at left wall /mV = 31.3441529 Potential at right wall /mV = -31.7179937 ________________________________________________________________________ Capacitance of left DL = 0.0339820592 Capacitance of right DL = 0.0335815331 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.59519385 Capacitance of right DL [F/m2] = 1.57639227 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.7074555 Adsorption of ion 1 on right wall = -4.63280472 Adsorption of ion 2 on left wall = -4.84712241 Adsorption of ion 2 on right wall = 6.19025071 ------------------------------------------------------------------------ net charge in left DL = -10.5545779 8.87781283 net charge in right DL = 10.8230554 -8.87781283 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.642889821 Relative adsorption of ion 1 on right wall = -0.521840774 Relative adsorption of ion 2 on left wall = -0.545981596 Relative adsorption of ion 2 on right wall = 0.697272045 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00970220015 Right electrode charge = -0.00970220015 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 236 -1.00 3.0000 1.5000 Na ion: 236 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77168 Bulk concentration of Na = 0.77078 ________________________________________________________________________ Average electrode charge 1 = 0.00707744797 Average electrode charge 2 = -0.00707744797 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370261 -1.060000 -0.540465 ________________________________________________________________________ Electrode charge exchange: 0.0637390892 Move Jump Cl: 0.94330 0.39782 Na: 0.94325 0.39708 ________________________________________________________________________ Create NaCl : 189533. / 479601. = 0.39519 Destroy NaCl : 189597. / 479814. = 0.39515 ________________________________________________________________________ Potential at left wall /kT = 1.22162811 Potential at right wall /kT = -1.23169361 ------------------------------------------------------------------------ Potential at left wall /mV = 31.5801118 Potential at right wall /mV = -31.8403134 ________________________________________________________________________ Capacitance of left DL = 0.0552995841 Capacitance of right DL = 0.0548476715 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.58327495 Capacitance of right DL [F/m2] = 1.5703363 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.72241598 Adsorption of ion 1 on right wall = -4.56683402 Adsorption of ion 2 on left wall = -4.8493716 Adsorption of ion 2 on right wall = 6.26820757 ------------------------------------------------------------------------ net charge in left DL = -10.5717876 14.5557734 net charge in right DL = 10.8350416 -14.5557734 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.3931372 Relative adsorption of ion 1 on right wall = -0.313747261 Relative adsorption of ion 2 on left wall = -0.333157949 Relative adsorption of ion 2 on right wall = 0.430633771 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0070036659 Right electrode charge = -0.0070036659 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 228 -1.00 3.0000 1.5000 Na ion: 228 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77136 Bulk concentration of Na = 0.77043 ________________________________________________________________________ Average electrode charge 1 = 0.00708089068 Average electrode charge 2 = -0.00708089068 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369396 -1.060000 -0.539601 ________________________________________________________________________ Electrode charge exchange: 0.0637748151 Move Jump Cl: 0.94333 0.39794 Na: 0.94335 0.39735 ________________________________________________________________________ Create NaCl : 195524. / 494591. = 0.39532 Destroy NaCl : 195596. / 494668. = 0.39541 ________________________________________________________________________ Potential at left wall /kT = 1.20827669 Potential at right wall /kT = -1.21825836 ------------------------------------------------------------------------ Potential at left wall /mV = 31.2349663 Potential at right wall /mV = -31.493001 ________________________________________________________________________ Capacitance of left DL = 0.0403598624 Capacitance of right DL = 0.040029178 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6007701 Capacitance of right DL [F/m2] = 1.58765435 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.72974141 Adsorption of ion 1 on right wall = -4.54895809 Adsorption of ion 2 on left wall = -4.83354113 Adsorption of ion 2 on right wall = 6.286322 ------------------------------------------------------------------------ net charge in left DL = -10.5632825 10.5072841 net charge in right DL = 10.8352801 -10.5072841 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.545311362 Relative adsorption of ion 1 on right wall = -0.432933766 Relative adsorption of ion 2 on left wall = -0.460018125 Relative adsorption of ion 2 on right wall = 0.59828229 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00843808518 Right electrode charge = -0.00843808518 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 232 -1.00 3.0000 1.5000 Na ion: 232 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77156 Bulk concentration of Na = 0.77048 ________________________________________________________________________ Average electrode charge 1 = 0.00708870455 Average electrode charge 2 = -0.00708870455 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369715 -1.060000 -0.539920 ________________________________________________________________________ Electrode charge exchange: 0.0637455858 Move Jump Cl: 0.94323 0.39771 Na: 0.94339 0.39729 ________________________________________________________________________ Create NaCl : 201423. / 509497. = 0.39534 Destroy NaCl : 201491. / 509703. = 0.39531 ________________________________________________________________________ Potential at left wall /kT = 1.19941986 Potential at right wall /kT = -1.20803165 ------------------------------------------------------------------------ Potential at left wall /mV = 31.0060099 Potential at right wall /mV = -31.2286319 ________________________________________________________________________ Capacitance of left DL = 0.0489850237 Capacitance of right DL = 0.0486358203 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6125906 Capacitance of right DL [F/m2] = 1.60109479 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.74274751 Adsorption of ion 1 on right wall = -4.57062112 Adsorption of ion 2 on left wall = -4.80438818 Adsorption of ion 2 on right wall = 6.29046477 ------------------------------------------------------------------------ net charge in left DL = -10.5471357 12.6592787 net charge in right DL = 10.8610859 -12.6592787 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.453639394 Relative adsorption of ion 1 on right wall = -0.361049096 Relative adsorption of ion 2 on left wall = -0.37951516 Relative adsorption of ion 2 on right wall = 0.496905466 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00920551793 Right electrode charge = -0.00920551793 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 248 -1.00 3.0000 1.5000 Na ion: 248 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77172 Bulk concentration of Na = 0.77098 ________________________________________________________________________ Average electrode charge 1 = 0.00709508745 Average electrode charge 2 = -0.00709508745 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370570 -1.060000 -0.540775 ________________________________________________________________________ Electrode charge exchange: 0.0637362219 Move Jump Cl: 0.94320 0.39745 Na: 0.94337 0.39715 ________________________________________________________________________ Create NaCl : 207361. / 524506. = 0.39535 Destroy NaCl : 207413. / 524700. = 0.39530 ________________________________________________________________________ Potential at left wall /kT = 1.20792514 Potential at right wall /kT = -1.21829522 ------------------------------------------------------------------------ Potential at left wall /mV = 31.2258786 Potential at right wall /mV = -31.4939539 ________________________________________________________________________ Capacitance of left DL = 0.0530638627 Capacitance of right DL = 0.0526121852 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.60123597 Capacitance of right DL [F/m2] = 1.58760631 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.74616324 Adsorption of ion 1 on right wall = -4.53485914 Adsorption of ion 2 on left wall = -4.86603734 Adsorption of ion 2 on right wall = 6.29225647 ------------------------------------------------------------------------ net charge in left DL = -10.6122006 13.8106234 net charge in right DL = 10.8271156 -13.8106234 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.416068345 Relative adsorption of ion 1 on right wall = -0.328360205 Relative adsorption of ion 2 on left wall = -0.352340165 Relative adsorption of ion 2 on right wall = 0.455609879 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00645287923 Right electrode charge = -0.00645287923 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 229 -1.00 3.0000 1.5000 Na ion: 229 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77177 Bulk concentration of Na = 0.77112 ________________________________________________________________________ Average electrode charge 1 = 0.00708997679 Average electrode charge 2 = -0.00708997679 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.370821 -1.060000 -0.541025 ________________________________________________________________________ Electrode charge exchange: 0.0636988646 Move Jump Cl: 0.94318 0.39754 Na: 0.94346 0.39720 ________________________________________________________________________ Create NaCl : 213314. / 539487. = 0.39540 Destroy NaCl : 213385. / 539732. = 0.39535 ________________________________________________________________________ Potential at left wall /kT = 1.22245767 Potential at right wall /kT = -1.23545432 ------------------------------------------------------------------------ Potential at left wall /mV = 31.6015566 Potential at right wall /mV = -31.937531 ________________________________________________________________________ Capacitance of left DL = 0.0367544866 Capacitance of right DL = 0.0363678391 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.58220054 Capacitance of right DL [F/m2] = 1.56555621 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.73337623 Adsorption of ion 1 on right wall = -4.54688396 Adsorption of ion 2 on left wall = -4.89689712 Adsorption of ion 2 on right wall = 6.27308343 ------------------------------------------------------------------------ net charge in left DL = -10.6302733 9.68096371 net charge in right DL = 10.8199674 -9.68096371 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.592231971 Relative adsorption of ion 1 on right wall = -0.469672658 Relative adsorption of ion 2 on left wall = -0.505827443 Relative adsorption of ion 2 on right wall = 0.647981298 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00941892472 Right electrode charge = -0.00941892472 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 227 -1.00 3.0000 1.5000 Na ion: 227 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77188 Bulk concentration of Na = 0.77129 ________________________________________________________________________ Average electrode charge 1 = 0.00708970902 Average electrode charge 2 = -0.00708970902 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371183 -1.060000 -0.541388 ________________________________________________________________________ Electrode charge exchange: 0.0636782685 Move Jump Cl: 0.94315 0.39751 Na: 0.94349 0.39724 ________________________________________________________________________ Create NaCl : 219214. / 554506. = 0.39533 Destroy NaCl : 219287. / 554734. = 0.39530 ________________________________________________________________________ Potential at left wall /kT = 1.21534618 Potential at right wall /kT = -1.23005038 ------------------------------------------------------------------------ Potential at left wall /mV = 31.4177188 Potential at right wall /mV = -31.7978346 ________________________________________________________________________ Capacitance of left DL = 0.0539624895 Capacitance of right DL = 0.0533174143 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.59145864 Capacitance of right DL [F/m2] = 1.57243412 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.7803405 Adsorption of ion 1 on right wall = -4.58868112 Adsorption of ion 2 on left wall = -4.85233179 Adsorption of ion 2 on right wall = 6.21841596 ------------------------------------------------------------------------ net charge in left DL = -10.6326723 14.130788 net charge in right DL = 10.8070971 -14.130788 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.409060025 Relative adsorption of ion 1 on right wall = -0.324729316 Relative adsorption of ion 2 on left wall = -0.343387205 Relative adsorption of ion 2 on right wall = 0.440061514 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00515275064 Right electrode charge = -0.00515275064 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 224 -1.00 3.0000 1.5000 Na ion: 224 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77191 Bulk concentration of Na = 0.77120 ________________________________________________________________________ Average electrode charge 1 = 0.00707282819 Average electrode charge 2 = -0.00707282819 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371097 -1.060000 -0.541302 ________________________________________________________________________ Electrode charge exchange: 0.0636813741 Move Jump Cl: 0.94325 0.39741 Na: 0.94347 0.39736 ________________________________________________________________________ Create NaCl : 225154. / 569396. = 0.39543 Destroy NaCl : 225230. / 569751. = 0.39531 ________________________________________________________________________ Potential at left wall /kT = 1.20210433 Potential at right wall /kT = -1.21637102 ------------------------------------------------------------------------ Potential at left wall /mV = 31.0754058 Potential at right wall /mV = -31.4442117 ________________________________________________________________________ Capacitance of left DL = 0.0298461018 Capacitance of right DL = 0.02949604 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.60898945 Capacitance of right DL [F/m2] = 1.59011778 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.73574708 Adsorption of ion 1 on right wall = -4.629713 Adsorption of ion 2 on left wall = -4.84653118 Adsorption of ion 2 on right wall = 6.15903417 ------------------------------------------------------------------------ net charge in left DL = -10.5822783 7.73043942 net charge in right DL = 10.7887472 -7.73043942 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.741969087 Relative adsorption of ion 1 on right wall = -0.598893899 Relative adsorption of ion 2 on left wall = -0.626941227 Relative adsorption of ion 2 on right wall = 0.796724977 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00704680791 Right electrode charge = -0.00704680791 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 225 -1.00 3.0000 1.5000 Na ion: 225 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77192 Bulk concentration of Na = 0.77134 ________________________________________________________________________ Average electrode charge 1 = 0.00705750052 Average electrode charge 2 = -0.00705750052 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371305 -1.060000 -0.541510 ________________________________________________________________________ Electrode charge exchange: 0.0638148009 Move Jump Cl: 0.94330 0.39728 Na: 0.94347 0.39731 ________________________________________________________________________ Create NaCl : 231100. / 584412. = 0.39544 Destroy NaCl : 231175. / 584827. = 0.39529 ________________________________________________________________________ Potential at left wall /kT = 1.18321286 Potential at right wall /kT = -1.19357393 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5870453 Potential at right wall /mV = -30.8548877 ________________________________________________________________________ Capacitance of left DL = 0.0414686795 Capacitance of right DL = 0.0411087017 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63467898 Capacitance of right DL [F/m2] = 1.6204888 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.73866234 Adsorption of ion 1 on right wall = -4.64229834 Adsorption of ion 2 on left wall = -4.82509067 Adsorption of ion 2 on right wall = 6.09097941 ------------------------------------------------------------------------ net charge in left DL = -10.563753 10.5720081 net charge in right DL = 10.7332778 -10.5720081 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.542816679 Relative adsorption of ion 1 on right wall = -0.439112256 Relative adsorption of ion 2 on left wall = -0.456402475 Relative adsorption of ion 2 on right wall = 0.576142142 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00857326468 Right electrode charge = -0.00857326468 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 212 -1.00 3.0000 1.5000 Na ion: 212 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77220 Bulk concentration of Na = 0.77146 ________________________________________________________________________ Average electrode charge 1 = 0.0070498838 Average electrode charge 2 = -0.0070498838 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371819 -1.060000 -0.542024 ________________________________________________________________________ Electrode charge exchange: 0.0637422008 Move Jump Cl: 0.94325 0.39728 Na: 0.94342 0.39737 ________________________________________________________________________ Create NaCl : 237013. / 599679. = 0.39523 Destroy NaCl : 237101. / 599783. = 0.39531 ________________________________________________________________________ Potential at left wall /kT = 1.1661852 Potential at right wall /kT = -1.17145145 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1468662 Potential at right wall /mV = -30.2830031 ________________________________________________________________________ Capacitance of left DL = 0.051188141 Capacitance of right DL = 0.0509580253 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65854718 Capacitance of right DL [F/m2] = 1.6510912 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.78196875 Adsorption of ion 1 on right wall = -4.71441667 Adsorption of ion 2 on left wall = -4.73264729 Adsorption of ion 2 on right wall = 6.01644479 ------------------------------------------------------------------------ net charge in left DL = -10.514616 12.8620824 net charge in right DL = 10.7308615 -12.8620824 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.449535975 Relative adsorption of ion 1 on right wall = -0.366536034 Relative adsorption of ion 2 on left wall = -0.367953427 Relative adsorption of ion 2 on right wall = 0.467765997 ________________________________________________________________________ End of iteration 1 ======================================================================== 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 12.3542364 net charge on right wall /e = -12.3542364 net charge on walls /e (starting) = 0. Initial sigma = 0.00823475823 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 2 1 1. 0.771463181 1 -15.8897954 -15.3718194 1 -1.06 -0.542024048 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 2 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00864489042 Right electrode charge = -0.00864489042 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99414 Bulk concentration of Na = 0.98794 ________________________________________________________________________ Average electrode charge 1 = 0.00730800442 Average electrode charge 2 = -0.00730800442 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.353810 -0.542024 -0.524015 ________________________________________________________________________ Electrode charge exchange: 0.0636629005 Move Jump Cl: 0.92941 0.37627 Na: 0.93628 0.37384 ________________________________________________________________________ Create NaCl : 5622. / 15005. = 0.37468 Destroy NaCl : 5630. / 15200. = 0.37039 ________________________________________________________________________ Potential at left wall /kT = 1.09488696 Potential at right wall /kT = -1.09931457 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3037467 Potential at right wall /mV = -28.4182041 ________________________________________________________________________ Capacitance of left DL = 0.0549769778 Capacitance of right DL = 0.0547555521 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.76655057 Capacitance of right DL [F/m2] = 1.7594356 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.76142533 Adsorption of ion 1 on right wall = -3.92454134 Adsorption of ion 2 on left wall = -5.30288894 Adsorption of ion 2 on right wall = 7.95347773 ------------------------------------------------------------------------ net charge in left DL = -10.0643143 12.9695393 net charge in right DL = 11.8780191 -12.9695393 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.367123707 Relative adsorption of ion 1 on right wall = -0.30259682 Relative adsorption of ion 2 on left wall = -0.408872577 Relative adsorption of ion 2 on right wall = 0.613242889 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00860992027 Right electrode charge = -0.00860992027 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 318 -1.00 3.0000 1.5000 Na ion: 318 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99887 Bulk concentration of Na = 0.99623 ________________________________________________________________________ Average electrode charge 1 = 0.00812553297 Average electrode charge 2 = -0.00812553297 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.366914 -0.542024 -0.537119 ________________________________________________________________________ Electrode charge exchange: 0.0637416398 Move Jump Cl: 0.93312 0.37048 Na: 0.93779 0.37203 ________________________________________________________________________ Create NaCl : 11236. / 30135. = 0.37286 Destroy NaCl : 11218. / 30348. = 0.36965 ________________________________________________________________________ Potential at left wall /kT = 1.56424867 Potential at right wall /kT = -1.62451826 ------------------------------------------------------------------------ Potential at left wall /mV = 40.4371408 Potential at right wall /mV = -41.9951604 ________________________________________________________________________ Capacitance of left DL = 0.038325161 Capacitance of right DL = 0.0369032984 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.23648703 Capacitance of right DL [F/m2] = 1.19061338 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.74069598 Adsorption of ion 1 on right wall = -4.42392902 Adsorption of ion 2 on left wall = -5.38207713 Adsorption of ion 2 on right wall = 8.47324787 ------------------------------------------------------------------------ net charge in left DL = -12.1227731 12.9170751 net charge in right DL = 12.8971769 -12.9170751 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.521843832 Relative adsorption of ion 1 on right wall = -0.342486901 Relative adsorption of ion 2 on left wall = -0.416663763 Relative adsorption of ion 2 on right wall = 0.655972641 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00656321105 Right electrode charge = -0.00656321105 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 331 -1.00 3.0000 1.5000 Na ion: 331 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00358 Bulk concentration of Na = 1.00026 ________________________________________________________________________ Average electrode charge 1 = 0.00802650125 Average electrode charge 2 = -0.00802650125 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.375654 -0.542024 -0.545859 ________________________________________________________________________ Electrode charge exchange: 0.0637284121 Move Jump Cl: 0.93252 0.37226 Na: 0.93642 0.37058 ________________________________________________________________________ Create NaCl : 16737. / 45163. = 0.37059 Destroy NaCl : 16706. / 45245. = 0.36923 ________________________________________________________________________ Potential at left wall /kT = 1.23251252 Potential at right wall /kT = -1.23737559 ------------------------------------------------------------------------ Potential at left wall /mV = 31.8614829 Potential at right wall /mV = -31.9871973 ________________________________________________________________________ Capacitance of left DL = 0.0370779474 Capacitance of right DL = 0.0369322256 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.56929293 Capacitance of right DL [F/m2] = 1.56312538 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.9998272 Adsorption of ion 1 on right wall = -3.70916724 Adsorption of ion 2 on left wall = -4.63200343 Adsorption of ion 2 on right wall = 8.89376879 ------------------------------------------------------------------------ net charge in left DL = -11.6318306 9.84648956 net charge in right DL = 12.602936 -9.84648956 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.710895711 Relative adsorption of ion 1 on right wall = -0.376699454 Relative adsorption of ion 2 on left wall = -0.470421809 Relative adsorption of ion 2 on right wall = 0.903242596 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00574262971 Right electrode charge = -0.00574262971 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00387 Bulk concentration of Na = 1.00143 ________________________________________________________________________ Average electrode charge 1 = 0.00797094125 Average electrode charge 2 = -0.00797094125 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.377110 -0.542024 -0.547315 ________________________________________________________________________ Electrode charge exchange: 0.0637146864 Move Jump Cl: 0.93301 0.37166 Na: 0.93692 0.37072 ________________________________________________________________________ Create NaCl : 22158. / 60020. = 0.36918 Destroy NaCl : 22183. / 60366. = 0.36748 ________________________________________________________________________ Potential at left wall /kT = 1.08410012 Potential at right wall /kT = -1.09426583 ------------------------------------------------------------------------ Potential at left wall /mV = 28.024898 Potential at right wall /mV = -28.2876901 ________________________________________________________________________ Capacitance of left DL = 0.0368834954 Capacitance of right DL = 0.0365408484 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.78412781 Capacitance of right DL [F/m2] = 1.7675533 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.1216204 Adsorption of ion 1 on right wall = -4.40435877 Adsorption of ion 2 on left wall = -4.46103717 Adsorption of ion 2 on right wall = 7.89205867 ------------------------------------------------------------------------ net charge in left DL = -11.5826576 8.61540838 net charge in right DL = 12.2964174 -8.61540838 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.826614374 Relative adsorption of ion 1 on right wall = -0.511218804 Relative adsorption of ion 2 on left wall = -0.517797529 Relative adsorption of ion 2 on right wall = 0.916039997 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00924314732 Right electrode charge = -0.00924314732 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 322 -1.00 3.0000 1.5000 Na ion: 322 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00922 Bulk concentration of Na = 1.00690 ________________________________________________________________________ Average electrode charge 1 = 0.00805855654 Average electrode charge 2 = -0.00805855654 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.387870 -0.542024 -0.558075 ________________________________________________________________________ Electrode charge exchange: 0.0636152916 Move Jump Cl: 0.93221 0.37097 Na: 0.93546 0.36852 ________________________________________________________________________ Create NaCl : 27576. / 75047. = 0.36745 Destroy NaCl : 27554. / 75219. = 0.36632 ________________________________________________________________________ Potential at left wall /kT = 1.16056558 Potential at right wall /kT = -1.16479571 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0015942 Potential at right wall /mV = -30.1109465 ________________________________________________________________________ Capacitance of left DL = 0.0554550168 Capacitance of right DL = 0.0552536239 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6665781 Capacitance of right DL [F/m2] = 1.66052568 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.35388455 Adsorption of ion 1 on right wall = -4.65212545 Adsorption of ion 2 on left wall = -4.42226828 Adsorption of ion 2 on right wall = 7.80314172 ------------------------------------------------------------------------ net charge in left DL = -11.7761528 13.8670771 net charge in right DL = 12.4552672 -13.8670771 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.530312516 Relative adsorption of ion 1 on right wall = -0.335479886 Relative adsorption of ion 2 on left wall = -0.318904139 Relative adsorption of ion 2 on right wall = 0.562709911 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00969682903 Right electrode charge = -0.00969682903 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00857 Bulk concentration of Na = 1.00765 ________________________________________________________________________ Average electrode charge 1 = 0.00800954402 Average electrode charge 2 = -0.00800954402 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.387976 -0.542024 -0.558180 ________________________________________________________________________ Electrode charge exchange: 0.0636597388 Move Jump Cl: 0.93249 0.37083 Na: 0.93528 0.36892 ________________________________________________________________________ Create NaCl : 33054. / 90014. = 0.36721 Destroy NaCl : 33079. / 90333. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.07565014 Potential at right wall /kT = -1.09162646 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8064589 Potential at right wall /mV = -28.21946 ________________________________________________________________________ Capacitance of left DL = 0.0627695987 Capacitance of right DL = 0.0618509449 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.79814338 Capacitance of right DL [F/m2] = 1.77182696 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.82375943 Adsorption of ion 1 on right wall = -4.68813501 Adsorption of ion 2 on left wall = -5.03024769 Adsorption of ion 2 on right wall = 7.43738009 ------------------------------------------------------------------------ net charge in left DL = -11.8540071 14.5477153 net charge in right DL = 12.1255151 -14.5477153 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.469060556 Relative adsorption of ion 1 on right wall = -0.322259194 Relative adsorption of ion 2 on left wall = -0.345775785 Relative adsorption of ion 2 on right wall = 0.51124042 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00695233781 Right electrode charge = -0.00695233781 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00885 Bulk concentration of Na = 1.00763 ________________________________________________________________________ Average electrode charge 1 = 0.00793253942 Average electrode charge 2 = -0.00793253942 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.388233 -0.542024 -0.558438 ________________________________________________________________________ Electrode charge exchange: 0.0636070796 Move Jump Cl: 0.93259 0.37083 Na: 0.93522 0.36832 ________________________________________________________________________ Create NaCl : 38518. / 104876. = 0.36727 Destroy NaCl : 38530. / 105454. = 0.36537 ________________________________________________________________________ Potential at left wall /kT = 0.979992585 Potential at right wall /kT = -1.01861352 ------------------------------------------------------------------------ Potential at left wall /mV = 25.3336307 Potential at right wall /mV = -26.3320143 ________________________________________________________________________ Capacitance of left DL = 0.0493967902 Capacitance of right DL = 0.047523901 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.97366104 Capacitance of right DL [F/m2] = 1.89882929 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59920978 Adsorption of ion 1 on right wall = -4.80544974 Adsorption of ion 2 on left wall = -5.03617729 Adsorption of ion 2 on right wall = 7.18627747 ------------------------------------------------------------------------ net charge in left DL = -11.6353871 10.4302789 net charge in right DL = 11.9917272 -10.4302789 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.632697346 Relative adsorption of ion 1 on right wall = -0.460721117 Relative adsorption of ion 2 on left wall = -0.482842055 Relative adsorption of ion 2 on right wall = 0.688982293 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00962552177 Right electrode charge = -0.00962552177 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00857 Bulk concentration of Na = 1.00777 ________________________________________________________________________ Average electrode charge 1 = 0.00791250767 Average electrode charge 2 = -0.00791250767 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.388093 -0.542024 -0.558298 ________________________________________________________________________ Electrode charge exchange: 0.0637062091 Move Jump Cl: 0.93282 0.36978 Na: 0.93469 0.36830 ________________________________________________________________________ Create NaCl : 43939. / 119827. = 0.36669 Destroy NaCl : 43946. / 120530. = 0.36461 ________________________________________________________________________ Potential at left wall /kT = 1.12789418 Potential at right wall /kT = -1.15590197 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1570112 Potential at right wall /mV = -29.8810359 ________________________________________________________________________ Capacitance of left DL = 0.0594219057 Capacitance of right DL = 0.0579820987 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71485341 Capacitance of right DL [F/m2] = 1.6733021 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.73752919 Adsorption of ion 1 on right wall = -4.66439165 Adsorption of ion 2 on left wall = -5.0356689 Adsorption of ion 2 on right wall = 7.34323527 ------------------------------------------------------------------------ net charge in left DL = -11.7731981 14.4407362 net charge in right DL = 12.0076269 -14.4407362 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.466564105 Relative adsorption of ion 1 on right wall = -0.323002343 Relative adsorption of ion 2 on left wall = -0.348712754 Relative adsorption of ion 2 on right wall = 0.508508371 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00513344174 Right electrode charge = -0.00513344174 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 273 -1.00 3.0000 1.5000 Na ion: 273 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00958 Bulk concentration of Na = 1.00906 ________________________________________________________________________ Average electrode charge 1 = 0.00785890607 Average electrode charge 2 = -0.00785890607 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.390375 -0.542024 -0.560580 ________________________________________________________________________ Electrode charge exchange: 0.063816712 Move Jump Cl: 0.93286 0.36893 Na: 0.93448 0.36776 ________________________________________________________________________ Create NaCl : 49435. / 134904. = 0.36645 Destroy NaCl : 49462. / 135632. = 0.36468 ________________________________________________________________________ Potential at left wall /kT = 1.06240071 Potential at right wall /kT = -1.07865687 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4639499 Potential at right wall /mV = -27.8841853 ________________________________________________________________________ Capacitance of left DL = 0.0336442568 Capacitance of right DL = 0.0331372127 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82056843 Capacitance of right DL [F/m2] = 1.7931311 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.29140828 Adsorption of ion 1 on right wall = -4.69070839 Adsorption of ion 2 on left wall = -5.3945511 Adsorption of ion 2 on right wall = 7.14842853 ------------------------------------------------------------------------ net charge in left DL = -11.6859594 7.70147114 net charge in right DL = 11.8391369 -7.70147114 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.816909934 Relative adsorption of ion 1 on right wall = -0.609066541 Relative adsorption of ion 2 on left wall = -0.700457224 Relative adsorption of ion 2 on right wall = 0.928190004 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00295087189 Right electrode charge = -0.00295087189 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00908 Bulk concentration of Na = 1.00876 ________________________________________________________________________ Average electrode charge 1 = 0.00777368426 Average electrode charge 2 = -0.00777368426 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.389587 -0.542024 -0.559792 ________________________________________________________________________ Electrode charge exchange: 0.0637819883 Move Jump Cl: 0.93281 0.36898 Na: 0.93405 0.36776 ________________________________________________________________________ Create NaCl : 54895. / 149997. = 0.36597 Destroy NaCl : 54892. / 150626. = 0.36443 ________________________________________________________________________ Potential at left wall /kT = 1.06452239 Potential at right wall /kT = -1.08179727 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5187972 Potential at right wall /mV = -27.9653672 ________________________________________________________________________ Capacitance of left DL = 0.0193012842 Capacitance of right DL = 0.0189930682 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.81693987 Capacitance of right DL [F/m2] = 1.78792574 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23588782 Adsorption of ion 1 on right wall = -4.59380718 Adsorption of ion 2 on left wall = -5.36023107 Adsorption of ion 2 on right wall = 7.09585059 ------------------------------------------------------------------------ net charge in left DL = -11.5961189 4.42706002 net charge in right DL = 11.6896578 -4.42706002 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.40858443 Relative adsorption of ion 1 on right wall = -1.03766544 Relative adsorption of ion 2 on left wall = -1.21078798 Relative adsorption of ion 2 on right wall = 1.60283587 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00974863179 Right electrode charge = -0.00974863179 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00736 Bulk concentration of Na = 1.00735 ________________________________________________________________________ Average electrode charge 1 = 0.00778003875 Average electrode charge 2 = -0.00778003875 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.386480 -0.542024 -0.556685 ________________________________________________________________________ Electrode charge exchange: 0.0638385999 Move Jump Cl: 0.93248 0.36902 Na: 0.93387 0.36870 ________________________________________________________________________ Create NaCl : 60480. / 164867. = 0.36684 Destroy NaCl : 60480. / 165749. = 0.36489 ________________________________________________________________________ Potential at left wall /kT = 1.09709049 Potential at right wall /kT = -1.11507151 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3607099 Potential at right wall /mV = -28.8255343 ________________________________________________________________________ Capacitance of left DL = 0.0618716742 Capacitance of right DL = 0.0608739664 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.76300241 Capacitance of right DL [F/m2] = 1.73457323 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.10809789 Adsorption of ion 1 on right wall = -4.53690665 Adsorption of ion 2 on left wall = -5.56866049 Adsorption of ion 2 on right wall = 7.14264709 ------------------------------------------------------------------------ net charge in left DL = -11.6767584 14.6254326 net charge in right DL = 11.6795537 -14.6254326 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.417635364 Relative adsorption of ion 1 on right wall = -0.310206663 Relative adsorption of ion 2 on left wall = -0.380751846 Relative adsorption of ion 2 on right wall = 0.488371678 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00607324518 Right electrode charge = -0.00607324518 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00650 Bulk concentration of Na = 1.00747 ________________________________________________________________________ Average electrode charge 1 = 0.00774174726 Average electrode charge 2 = -0.00774174726 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.385739 -0.542024 -0.555944 ________________________________________________________________________ Electrode charge exchange: 0.0638665353 Move Jump Cl: 0.93210 0.36841 Na: 0.93363 0.36902 ________________________________________________________________________ Create NaCl : 66044. / 179907. = 0.36710 Destroy NaCl : 66049. / 180682. = 0.36555 ________________________________________________________________________ Potential at left wall /kT = 1.04901563 Potential at right wall /kT = -1.06300847 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1179342 Potential at right wall /mV = -27.4796611 ________________________________________________________________________ Capacitance of left DL = 0.0403115511 Capacitance of right DL = 0.0397809125 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.84379826 Capacitance of right DL [F/m2] = 1.81952753 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.2558685 Adsorption of ion 1 on right wall = -4.33444678 Adsorption of ion 2 on left wall = -5.47067287 Adsorption of ion 2 on right wall = 7.11022575 ------------------------------------------------------------------------ net charge in left DL = -11.7265414 9.11141586 net charge in right DL = 11.4446725 -9.11141586 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.686596747 Relative adsorption of ion 1 on right wall = -0.475716052 Relative adsorption of ion 2 on left wall = -0.600419622 Relative adsorption of ion 2 on right wall = 0.780364529 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00658693888 Right electrode charge = -0.00658693888 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00657 Bulk concentration of Na = 1.00711 ________________________________________________________________________ Average electrode charge 1 = 0.00775481902 Average electrode charge 2 = -0.00775481902 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.385449 -0.542024 -0.555653 ________________________________________________________________________ Electrode charge exchange: 0.0638218423 Move Jump Cl: 0.93214 0.36848 Na: 0.93346 0.36900 ________________________________________________________________________ Create NaCl : 71489. / 194886. = 0.36682 Destroy NaCl : 71497. / 195561. = 0.36560 ________________________________________________________________________ Potential at left wall /kT = 1.01324008 Potential at right wall /kT = -1.03091776 ------------------------------------------------------------------------ Potential at left wall /mV = 26.1931065 Potential at right wall /mV = -26.6500892 ________________________________________________________________________ Capacitance of left DL = 0.0452649374 Capacitance of right DL = 0.0444887564 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.9088992 Capacitance of right DL [F/m2] = 1.87616633 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.27261825 Adsorption of ion 1 on right wall = -4.44812021 Adsorption of ion 2 on left wall = -5.38882271 Adsorption of ion 2 on right wall = 7.05625165 ------------------------------------------------------------------------ net charge in left DL = -11.661441 9.88208736 net charge in right DL = 11.5043719 -9.88208736 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.634746286 Relative adsorption of ion 1 on right wall = -0.450119499 Relative adsorption of ion 2 on left wall = -0.545312191 Relative adsorption of ion 2 on right wall = 0.714044653 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00794985963 Right electrode charge = -0.00794985963 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00954 Bulk concentration of Na = 1.00973 ________________________________________________________________________ Average electrode charge 1 = 0.00774795314 Average electrode charge 2 = -0.00774795314 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.391003 -0.542024 -0.561207 ________________________________________________________________________ Electrode charge exchange: 0.0638274275 Move Jump Cl: 0.93179 0.36852 Na: 0.93333 0.36884 ________________________________________________________________________ Create NaCl : 76955. / 209973. = 0.36650 Destroy NaCl : 76962. / 210483. = 0.36564 ________________________________________________________________________ Potential at left wall /kT = 1.05300827 Potential at right wall /kT = -1.07386582 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2211476 Potential at right wall /mV = -27.7603326 ________________________________________________________________________ Capacitance of left DL = 0.0525676217 Capacitance of right DL = 0.0515466082 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83680721 Capacitance of right DL [F/m2] = 1.80113116 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.00020447 Adsorption of ion 1 on right wall = -4.81310863 Adsorption of ion 2 on left wall = -5.63007854 Adsorption of ion 2 on right wall = 6.76070122 ------------------------------------------------------------------------ net charge in left DL = -11.630283 11.9268159 net charge in right DL = 11.5738098 -11.9268159 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.503085192 Relative adsorption of ion 1 on right wall = -0.403553528 Relative adsorption of ion 2 on left wall = -0.472052104 Relative adsorption of ion 2 on right wall = 0.566848795 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00682566309 Right electrode charge = -0.00682566309 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01082 Bulk concentration of Na = 1.01107 ________________________________________________________________________ Average electrode charge 1 = 0.00776921709 Average electrode charge 2 = -0.00776921709 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.393587 -0.542024 -0.563792 ________________________________________________________________________ Electrode charge exchange: 0.0639123322 Move Jump Cl: 0.93186 0.36856 Na: 0.93346 0.36897 ________________________________________________________________________ Create NaCl : 82577. / 225101. = 0.36684 Destroy NaCl : 82577. / 225313. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.05906207 Potential at right wall /kT = -1.07350923 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3776433 Potential at right wall /mV = -27.7511144 ________________________________________________________________________ Capacitance of left DL = 0.0448759946 Capacitance of right DL = 0.0442720589 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82630768 Capacitance of right DL [F/m2] = 1.80172945 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.9422779 Adsorption of ion 1 on right wall = -4.93428544 Adsorption of ion 2 on left wall = -5.7294629 Adsorption of ion 2 on right wall = 6.66563821 ------------------------------------------------------------------------ net charge in left DL = -11.6717408 10.2402345 net charge in right DL = 11.5999236 -10.2402345 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.580287286 Relative adsorption of ion 1 on right wall = -0.481852776 Relative adsorption of ion 2 on left wall = -0.559505047 Relative adsorption of ion 2 on right wall = 0.650926323 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00676013925 Right electrode charge = -0.00676013925 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01107 Bulk concentration of Na = 1.01092 ________________________________________________________________________ Average electrode charge 1 = 0.00780286627 Average electrode charge 2 = -0.00780286627 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.393688 -0.542024 -0.563892 ________________________________________________________________________ Electrode charge exchange: 0.063781585 Move Jump Cl: 0.93199 0.36824 Na: 0.93365 0.36880 ________________________________________________________________________ Create NaCl : 88001. / 240231. = 0.36632 Destroy NaCl : 88009. / 240116. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.1058852 Potential at right wall /kT = -1.11865552 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5880604 Potential at right wall /mV = -28.9181839 ________________________________________________________________________ Capacitance of left DL = 0.0425633939 Capacitance of right DL = 0.0420774997 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.74898189 Capacitance of right DL [F/m2] = 1.72901591 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.961815 Adsorption of ion 1 on right wall = -4.86099646 Adsorption of ion 2 on left wall = -5.73407014 Adsorption of ion 2 on right wall = 6.88050382 ------------------------------------------------------------------------ net charge in left DL = -11.6958851 10.1419321 net charge in right DL = 11.7415003 -10.1419321 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.587838191 Relative adsorption of ion 1 on right wall = -0.479296886 Relative adsorption of ion 2 on left wall = -0.565382425 Relative adsorption of ion 2 on right wall = 0.678421407 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00805519597 Right electrode charge = -0.00805519597 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01180 Bulk concentration of Na = 1.01137 ________________________________________________________________________ Average electrode charge 1 = 0.00782110887 Average electrode charge 2 = -0.00782110887 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.394856 -0.542024 -0.565060 ________________________________________________________________________ Electrode charge exchange: 0.0638389719 Move Jump Cl: 0.93182 0.36827 Na: 0.93346 0.36870 ________________________________________________________________________ Create NaCl : 93473. / 255380. = 0.36602 Destroy NaCl : 93493. / 255198. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.1207434 Potential at right wall /kT = -1.13748392 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9721575 Potential at right wall /mV = -29.4049138 ________________________________________________________________________ Capacitance of left DL = 0.050044986 Capacitance of right DL = 0.0493084667 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.72579484 Capacitance of right DL [F/m2] = 1.70039607 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.89797206 Adsorption of ion 1 on right wall = -4.87156422 Adsorption of ion 2 on left wall = -5.79453518 Adsorption of ion 2 on right wall = 6.94870893 ------------------------------------------------------------------------ net charge in left DL = -11.6925072 12.0848473 net charge in right DL = 11.8202732 -12.0848473 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.488046885 Relative adsorption of ion 1 on right wall = -0.403113429 Relative adsorption of ion 2 on left wall = -0.479487664 Relative adsorption of ion 2 on right wall = 0.574993526 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00823217337 Right electrode charge = -0.00823217337 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01189 Bulk concentration of Na = 1.01165 ________________________________________________________________________ Average electrode charge 1 = 0.00781374721 Average electrode charge 2 = -0.00781374721 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.395221 -0.542024 -0.565425 ________________________________________________________________________ Electrode charge exchange: 0.0637604383 Move Jump Cl: 0.93216 0.36779 Na: 0.93341 0.36863 ________________________________________________________________________ Create NaCl : 99036. / 270577. = 0.36602 Destroy NaCl : 99033. / 270111. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.10088157 Potential at right wall /kT = -1.11611839 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4587125 Potential at right wall /mV = -28.852597 ________________________________________________________________________ Capacitance of left DL = 0.0520672402 Capacitance of right DL = 0.0513564383 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.75693121 Capacitance of right DL [F/m2] = 1.73294626 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.82946159 Adsorption of ion 1 on right wall = -4.68032823 Adsorption of ion 2 on left wall = -5.86369794 Adsorption of ion 2 on right wall = 7.08466039 ------------------------------------------------------------------------ net charge in left DL = -11.6931595 12.3503585 net charge in right DL = 11.7649886 -12.3503585 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.472007481 Relative adsorption of ion 1 on right wall = -0.378962946 Relative adsorption of ion 2 on left wall = -0.474779575 Relative adsorption of ion 2 on right wall = 0.573640062 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00491912639 Right electrode charge = -0.00491912639 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01088 Bulk concentration of Na = 1.01117 ________________________________________________________________________ Average electrode charge 1 = 0.00786098535 Average electrode charge 2 = -0.00786098535 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.393752 -0.542024 -0.563956 ________________________________________________________________________ Electrode charge exchange: 0.063778658 Move Jump Cl: 0.93223 0.36834 Na: 0.93357 0.36859 ________________________________________________________________________ Create NaCl : 104561. / 285539. = 0.36619 Destroy NaCl : 104550. / 285207. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.11395788 Potential at right wall /kT = -1.13143861 ------------------------------------------------------------------------ Potential at left wall /mV = 28.7967462 Potential at right wall /mV = -29.2486377 ________________________________________________________________________ Capacitance of left DL = 0.0307475037 Capacitance of right DL = 0.0302724547 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.73630728 Capacitance of right DL [F/m2] = 1.70948133 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.05102908 Adsorption of ion 1 on right wall = -4.61881566 Adsorption of ion 2 on left wall = -5.79786815 Adsorption of ion 2 on right wall = 7.14645378 ------------------------------------------------------------------------ net charge in left DL = -11.8488972 7.37994349 net charge in right DL = 11.7652694 -7.37994349 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.819928918 Relative adsorption of ion 1 on right wall = -0.625860573 Relative adsorption of ion 2 on left wall = -0.785625006 Relative adsorption of ion 2 on right wall = 0.968361587 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00878654509 Right electrode charge = -0.00878654509 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01273 Bulk concentration of Na = 1.01326 ________________________________________________________________________ Average electrode charge 1 = 0.00784428102 Average electrode charge 2 = -0.00784428102 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.397638 -0.542024 -0.567843 ________________________________________________________________________ Electrode charge exchange: 0.0638480589 Move Jump Cl: 0.93208 0.36830 Na: 0.93309 0.36850 ________________________________________________________________________ Create NaCl : 109948. / 300423. = 0.36598 Destroy NaCl : 109938. / 300180. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.12231628 Potential at right wall /kT = -1.13965504 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0128176 Potential at right wall /mV = -29.4610391 ________________________________________________________________________ Capacitance of left DL = 0.0545121778 Capacitance of right DL = 0.0536828272 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.72337622 Capacitance of right DL [F/m2] = 1.6971567 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.89872432 Adsorption of ion 1 on right wall = -4.72451235 Adsorption of ion 2 on left wall = -5.97150371 Adsorption of ion 2 on right wall = 6.98900462 ------------------------------------------------------------------------ net charge in left DL = -11.870228 13.1820574 net charge in right DL = 11.713517 -13.1820574 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.447481311 Relative adsorption of ion 1 on right wall = -0.358404778 Relative adsorption of ion 2 on left wall = -0.453002406 Relative adsorption of ion 2 on right wall = 0.53019073 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00563921161 Right electrode charge = -0.00563921161 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01291 Bulk concentration of Na = 1.01346 ________________________________________________________________________ Average electrode charge 1 = 0.00786951835 Average electrode charge 2 = -0.00786951835 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.398023 -0.542024 -0.568227 ________________________________________________________________________ Electrode charge exchange: 0.0637736055 Move Jump Cl: 0.93180 0.36845 Na: 0.93282 0.36840 ________________________________________________________________________ Create NaCl : 115455. / 315437. = 0.36602 Destroy NaCl : 115472. / 315101. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.11760963 Potential at right wall /kT = -1.14016012 ------------------------------------------------------------------------ Potential at left wall /mV = 28.8911468 Potential at right wall /mV = -29.474096 ________________________________________________________________________ Capacitance of left DL = 0.0351332972 Capacitance of right DL = 0.0344384183 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.73063396 Capacitance of right DL [F/m2] = 1.69640487 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.08883345 Adsorption of ion 1 on right wall = -4.83222766 Adsorption of ion 2 on left wall = -5.81914935 Adsorption of ion 2 on right wall = 6.91511335 ------------------------------------------------------------------------ net charge in left DL = -11.9079828 8.46025487 net charge in right DL = 11.747341 -8.46025487 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.719698584 Relative adsorption of ion 1 on right wall = -0.571168095 Relative adsorption of ion 2 on left wall = -0.687821991 Relative adsorption of ion 2 on right wall = 0.81736466 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00469876852 Right electrode charge = -0.00469876852 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01308 Bulk concentration of Na = 1.01357 ________________________________________________________________________ Average electrode charge 1 = 0.00787202289 Average electrode charge 2 = -0.00787202289 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.398290 -0.542024 -0.568495 ________________________________________________________________________ Electrode charge exchange: 0.063664488 Move Jump Cl: 0.93182 0.36882 Na: 0.93294 0.36835 ________________________________________________________________________ Create NaCl : 120871. / 330531. = 0.36569 Destroy NaCl : 120864. / 330001. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.10540512 Potential at right wall /kT = -1.12539057 ------------------------------------------------------------------------ Potential at left wall /mV = 28.57565 Potential at right wall /mV = -29.0922907 ________________________________________________________________________ Capacitance of left DL = 0.0295973775 Capacitance of right DL = 0.0290717671 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.74974147 Capacitance of right DL [F/m2] = 1.71866837 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.14730996 Adsorption of ion 1 on right wall = -4.81030443 Adsorption of ion 2 on left wall = -5.74764589 Adsorption of ion 2 on right wall = 6.94045487 ------------------------------------------------------------------------ net charge in left DL = -11.8949558 7.04935052 net charge in right DL = 11.7507593 -7.04935052 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.872039196 Relative adsorption of ion 1 on right wall = -0.682375549 Relative adsorption of ion 2 on left wall = -0.815344033 Relative adsorption of ion 2 on right wall = 0.984552385 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.009187479 Right electrode charge = -0.009187479 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01290 Bulk concentration of Na = 1.01345 ________________________________________________________________________ Average electrode charge 1 = 0.00788267218 Average electrode charge 2 = -0.00788267218 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.397993 -0.542024 -0.568198 ________________________________________________________________________ Electrode charge exchange: 0.0636118413 Move Jump Cl: 0.93192 0.36860 Na: 0.93293 0.36829 ________________________________________________________________________ Create NaCl : 126303. / 345508. = 0.36556 Destroy NaCl : 126299. / 345070. = 0.36601 ________________________________________________________________________ Potential at left wall /kT = 1.10130931 Potential at right wall /kT = -1.11948928 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4697698 Potential at right wall /mV = -28.9397372 ________________________________________________________________________ Capacitance of left DL = 0.0580868335 Capacitance of right DL = 0.0571435313 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.75624883 Capacitance of right DL [F/m2] = 1.7277282 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.28068045 Adsorption of ion 1 on right wall = -4.95391157 Adsorption of ion 2 on left wall = -5.63437493 Adsorption of ion 2 on right wall = 6.79987797 ------------------------------------------------------------------------ net charge in left DL = -11.9150554 13.7835604 net charge in right DL = 11.7537895 -13.7835604 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.455664593 Relative adsorption of ion 1 on right wall = -0.359407252 Relative adsorption of ion 2 on left wall = -0.408775001 Relative adsorption of ion 2 on right wall = 0.493332474 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00575150551 Right electrode charge = -0.00575150551 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01303 Bulk concentration of Na = 1.01359 ________________________________________________________________________ Average electrode charge 1 = 0.00786963427 Average electrode charge 2 = -0.00786963427 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.398267 -0.542024 -0.568471 ________________________________________________________________________ Electrode charge exchange: 0.0636705774 Move Jump Cl: 0.93213 0.36875 Na: 0.93291 0.36828 ________________________________________________________________________ Create NaCl : 131680. / 360412. = 0.36536 Destroy NaCl : 131682. / 360157. = 0.36562 ________________________________________________________________________ Potential at left wall /kT = 1.0617039 Potential at right wall /kT = -1.08081643 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4459369 Potential at right wall /mV = -27.9400118 ________________________________________________________________________ Capacitance of left DL = 0.0377197476 Capacitance of right DL = 0.0370527335 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82176328 Capacitance of right DL [F/m2] = 1.78954828 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.16830046 Adsorption of ion 1 on right wall = -4.92348704 Adsorption of ion 2 on left wall = -5.69938413 Adsorption of ion 2 on right wall = 6.78154087 ------------------------------------------------------------------------ net charge in left DL = -11.8676846 8.62872435 net charge in right DL = 11.7050279 -8.62872435 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.71485659 Relative adsorption of ion 1 on right wall = -0.57059269 Relative adsorption of ion 2 on left wall = -0.660512945 Relative adsorption of ion 2 on right wall = 0.785926239 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00797333461 Right electrode charge = -0.00797333461 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01267 Bulk concentration of Na = 1.01346 ________________________________________________________________________ Average electrode charge 1 = 0.00787047923 Average electrode charge 2 = -0.00787047923 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.397783 -0.542024 -0.567988 ________________________________________________________________________ Electrode charge exchange: 0.0636863367 Move Jump Cl: 0.93212 0.36894 Na: 0.93290 0.36836 ________________________________________________________________________ Create NaCl : 137155. / 375287. = 0.36547 Destroy NaCl : 137153. / 374982. = 0.36576 ________________________________________________________________________ Potential at left wall /kT = 1.06657566 Potential at right wall /kT = -1.08606493 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5718759 Potential at right wall /mV = -28.0756899 ________________________________________________________________________ Capacitance of left DL = 0.0520521862 Capacitance of right DL = 0.0511181175 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.81344208 Capacitance of right DL [F/m2] = 1.78090014 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23376716 Adsorption of ion 1 on right wall = -4.90542484 Adsorption of ion 2 on left wall = -5.67157488 Adsorption of ion 2 on right wall = 6.77007712 ------------------------------------------------------------------------ net charge in left DL = -11.905342 11.9620344 net charge in right DL = 11.675502 -11.9620344 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.521129347 Relative adsorption of ion 1 on right wall = -0.410082825 Relative adsorption of ion 2 on left wall = -0.474131298 Relative adsorption of ion 2 on right wall = 0.565963692 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00781023643 Right electrode charge = -0.00781023643 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 320 -1.00 3.0000 1.5000 Na ion: 320 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01306 Bulk concentration of Na = 1.01348 ________________________________________________________________________ Average electrode charge 1 = 0.00786328396 Average electrode charge 2 = -0.00786328396 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.398191 -0.542024 -0.568396 ________________________________________________________________________ Electrode charge exchange: 0.0637405464 Move Jump Cl: 0.93212 0.36868 Na: 0.93269 0.36837 ________________________________________________________________________ Create NaCl : 142607. / 390409. = 0.36528 Destroy NaCl : 142587. / 389854. = 0.36574 ________________________________________________________________________ Potential at left wall /kT = 1.03059648 Potential at right wall /kT = -1.0488886 ------------------------------------------------------------------------ Potential at left wall /mV = 26.641784 Potential at right wall /mV = -27.1146505 ________________________________________________________________________ Capacitance of left DL = 0.0527674585 Capacitance of right DL = 0.0518472192 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.8767512 Capacitance of right DL [F/m2] = 1.84402155 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11022135 Adsorption of ion 1 on right wall = -4.78689275 Adsorption of ion 2 on left wall = -5.7047199 Adsorption of ion 2 on right wall = 6.90533395 ------------------------------------------------------------------------ net charge in left DL = -11.8149412 11.7173455 net charge in right DL = 11.6922267 -11.7173455 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.521468053 Relative adsorption of ion 1 on right wall = -0.408530478 Relative adsorption of ion 2 on left wall = -0.486861115 Relative adsorption of ion 2 on right wall = 0.589325795 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00902677963 Right electrode charge = -0.00902677963 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01339 Bulk concentration of Na = 1.01374 ________________________________________________________________________ Average electrode charge 1 = 0.0078745589 Average electrode charge 2 = -0.0078745589 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.398763 -0.542024 -0.568968 ________________________________________________________________________ Electrode charge exchange: 0.0637178807 Move Jump Cl: 0.93216 0.36870 Na: 0.93277 0.36829 ________________________________________________________________________ Create NaCl : 148072. / 405474. = 0.36518 Destroy NaCl : 148074. / 404829. = 0.36577 ________________________________________________________________________ Potential at left wall /kT = 1.04604169 Potential at right wall /kT = -1.06991733 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0410555 Potential at right wall /mV = -27.6582608 ________________________________________________________________________ Capacitance of left DL = 0.0600861668 Capacitance of right DL = 0.0587453197 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.84904025 Capacitance of right DL [F/m2] = 1.80777817 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.13100165 Adsorption of ion 1 on right wall = -4.90886378 Adsorption of ion 2 on left wall = -5.70362162 Adsorption of ion 2 on right wall = 6.82343023 ------------------------------------------------------------------------ net charge in left DL = -11.8346233 13.5424704 net charge in right DL = 11.732294 -13.5424704 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.452724021 Relative adsorption of ion 1 on right wall = -0.362479196 Relative adsorption of ion 2 on left wall = -0.421165522 Relative adsorption of ion 2 on right wall = 0.503854173 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101226414 Right electrode charge = -0.0101226414 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01203 Bulk concentration of Na = 1.01278 ________________________________________________________________________ Average electrode charge 1 = 0.00787625802 Average electrode charge 2 = -0.00787625802 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396470 -0.542024 -0.566674 ________________________________________________________________________ Electrode charge exchange: 0.0637019407 Move Jump Cl: 0.93211 0.36875 Na: 0.93285 0.36856 ________________________________________________________________________ Create NaCl : 153523. / 420358. = 0.36522 Destroy NaCl : 153517. / 419768. = 0.36572 ________________________________________________________________________ Potential at left wall /kT = 1.07600606 Potential at right wall /kT = -1.0991583 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8156597 Potential at right wall /mV = -28.4141644 ________________________________________________________________________ Capacitance of left DL = 0.0655042965 Capacitance of right DL = 0.0641245401 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.79754859 Capacitance of right DL [F/m2] = 1.75968575 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.33410987 Adsorption of ion 1 on right wall = -4.87275263 Adsorption of ion 2 on left wall = -5.58379531 Adsorption of ion 2 on right wall = 6.82534695 ------------------------------------------------------------------------ net charge in left DL = -11.9179052 15.1865424 net charge in right DL = 11.6980996 -15.1865424 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.41708703 Relative adsorption of ion 1 on right wall = -0.320859909 Relative adsorption of ion 2 on left wall = -0.367680486 Relative adsorption of ion 2 on right wall = 0.449433897 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0106714319 Right electrode charge = -0.0106714319 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01142 Bulk concentration of Na = 1.01203 ________________________________________________________________________ Average electrode charge 1 = 0.00790470538 Average electrode charge 2 = -0.00790470538 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.395137 -0.542024 -0.565342 ________________________________________________________________________ Electrode charge exchange: 0.0637407788 Move Jump Cl: 0.93228 0.36854 Na: 0.93288 0.36874 ________________________________________________________________________ Create NaCl : 159012. / 435448. = 0.36517 Destroy NaCl : 159024. / 434831. = 0.36571 ________________________________________________________________________ Potential at left wall /kT = 1.08284714 Potential at right wall /kT = -1.10409691 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9925073 Potential at right wall /mV = -28.5418318 ________________________________________________________________________ Capacitance of left DL = 0.0686192863 Capacitance of right DL = 0.0672986193 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.78619227 Capacitance of right DL [F/m2] = 1.75181468 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48773423 Adsorption of ion 1 on right wall = -4.90764106 Adsorption of ion 2 on left wall = -5.45455836 Adsorption of ion 2 on right wall = 6.85543646 ------------------------------------------------------------------------ net charge in left DL = -11.9422926 16.0098681 net charge in right DL = 11.7630775 -16.0098681 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.40523346 Relative adsorption of ion 1 on right wall = -0.306538507 Relative adsorption of ion 2 on left wall = -0.34069977 Relative adsorption of ion 2 on right wall = 0.428200684 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00976416268 Right electrode charge = -0.00976416268 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01189 Bulk concentration of Na = 1.01247 ________________________________________________________________________ Average electrode charge 1 = 0.00792675358 Average electrode charge 2 = -0.00792675358 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396034 -0.542024 -0.566239 ________________________________________________________________________ Electrode charge exchange: 0.0637842303 Move Jump Cl: 0.93223 0.36824 Na: 0.93279 0.36830 ________________________________________________________________________ Create NaCl : 164452. / 450620. = 0.36495 Destroy NaCl : 164443. / 449726. = 0.36565 ________________________________________________________________________ Potential at left wall /kT = 1.0664429 Potential at right wall /kT = -1.08929199 ------------------------------------------------------------------------ Potential at left wall /mV = 27.568444 Potential at right wall /mV = -28.1591121 ________________________________________________________________________ Capacitance of left DL = 0.0637511541 Capacitance of right DL = 0.062413904 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.81366783 Capacitance of right DL [F/m2] = 1.77562417 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46502727 Adsorption of ion 1 on right wall = -4.83243385 Adsorption of ion 2 on left wall = -5.49370553 Adsorption of ion 2 on right wall = 6.95514669 ------------------------------------------------------------------------ net charge in left DL = -11.9587328 14.6487329 net charge in right DL = 11.7875805 -14.6487329 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.44133696 Relative adsorption of ion 1 on right wall = -0.329887497 Relative adsorption of ion 2 on left wall = -0.3750294 Relative adsorption of ion 2 on right wall = 0.474795105 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00942594751 Right electrode charge = -0.00942594751 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01236 Bulk concentration of Na = 1.01292 ________________________________________________________________________ Average electrode charge 1 = 0.00792564816 Average electrode charge 2 = -0.00792564816 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396941 -0.542024 -0.567146 ________________________________________________________________________ Electrode charge exchange: 0.0637267982 Move Jump Cl: 0.93225 0.36816 Na: 0.93272 0.36817 ________________________________________________________________________ Create NaCl : 169894. / 465585. = 0.36490 Destroy NaCl : 169893. / 464707. = 0.36559 ________________________________________________________________________ Potential at left wall /kT = 1.06969501 Potential at right wall /kT = -1.08816783 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6525137 Potential at right wall /mV = -28.1300516 ________________________________________________________________________ Capacitance of left DL = 0.0613558109 Capacitance of right DL = 0.0603142299 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.80815388 Capacitance of right DL [F/m2] = 1.77745852 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43481406 Adsorption of ion 1 on right wall = -4.89144185 Adsorption of ion 2 on left wall = -5.51765097 Adsorption of ion 2 on right wall = 6.89794258 ------------------------------------------------------------------------ net charge in left DL = -11.952465 14.141324 net charge in right DL = 11.7893844 -14.141324 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.455036181 Relative adsorption of ion 1 on right wall = -0.345897022 Relative adsorption of ion 2 on left wall = -0.390179235 Relative adsorption of ion 2 on right wall = 0.487786192 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00825268772 Right electrode charge = -0.00825268772 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01269 Bulk concentration of Na = 1.01321 ________________________________________________________________________ Average electrode charge 1 = 0.00793094272 Average electrode charge 2 = -0.00793094272 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.397558 -0.542024 -0.567762 ________________________________________________________________________ Electrode charge exchange: 0.0637277306 Move Jump Cl: 0.93219 0.36829 Na: 0.93282 0.36821 ________________________________________________________________________ Create NaCl : 175408. / 480670. = 0.36492 Destroy NaCl : 175432. / 479751. = 0.36567 ________________________________________________________________________ Potential at left wall /kT = 1.04626985 Potential at right wall /kT = -1.0688469 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0469536 Potential at right wall /mV = -27.6305893 ________________________________________________________________________ Capacitance of left DL = 0.0549214955 Capacitance of right DL = 0.0537613992 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.84863703 Capacitance of right DL [F/m2] = 1.80958862 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.40504071 Adsorption of ion 1 on right wall = -4.97564835 Adsorption of ion 2 on left wall = -5.53424127 Adsorption of ion 2 on right wall = 6.81087175 ------------------------------------------------------------------------ net charge in left DL = -11.939282 12.3811352 net charge in right DL = 11.7865201 -12.3811352 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.517322571 Relative adsorption of ion 1 on right wall = -0.401873355 Relative adsorption of ion 2 on left wall = -0.446989809 Relative adsorption of ion 2 on right wall = 0.550100748 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00924411883 Right electrode charge = -0.00924411883 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01229 Bulk concentration of Na = 1.01289 ________________________________________________________________________ Average electrode charge 1 = 0.00793537354 Average electrode charge 2 = -0.00793537354 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396839 -0.542024 -0.567044 ________________________________________________________________________ Electrode charge exchange: 0.0637526211 Move Jump Cl: 0.93245 0.36817 Na: 0.93286 0.36830 ________________________________________________________________________ Create NaCl : 180929. / 495696. = 0.36500 Destroy NaCl : 180944. / 494600. = 0.36584 ________________________________________________________________________ Potential at left wall /kT = 1.05730443 Potential at right wall /kT = -1.0733813 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3322068 Potential at right wall /mV = -27.7478074 ________________________________________________________________________ Capacitance of left DL = 0.0608774034 Capacitance of right DL = 0.0599655949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82934369 Capacitance of right DL [F/m2] = 1.80194418 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41967381 Adsorption of ion 1 on right wall = -4.90083225 Adsorption of ion 2 on left wall = -5.54125495 Adsorption of ion 2 on right wall = 6.88427535 ------------------------------------------------------------------------ net charge in left DL = -11.9609288 13.8685346 net charge in right DL = 11.7851076 -13.8685346 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.46289489 Relative adsorption of ion 1 on right wall = -0.3533778 Relative adsorption of ion 2 on left wall = -0.399555909 Relative adsorption of ion 2 on right wall = 0.496395296 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0104188674 Right electrode charge = -0.0104188674 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01195 Bulk concentration of Na = 1.01249 ________________________________________________________________________ Average electrode charge 1 = 0.00793233263 Average electrode charge 2 = -0.00793233263 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396106 -0.542024 -0.566310 ________________________________________________________________________ Electrode charge exchange: 0.0637697111 Move Jump Cl: 0.93245 0.36811 Na: 0.93285 0.36831 ________________________________________________________________________ Create NaCl : 186489. / 510623. = 0.36522 Destroy NaCl : 186491. / 509645. = 0.36592 ________________________________________________________________________ Potential at left wall /kT = 1.05271493 Potential at right wall /kT = -1.06823878 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2135643 Potential at right wall /mV = -27.6148688 ________________________________________________________________________ Capacitance of left DL = 0.0689128774 Capacitance of right DL = 0.0679114223 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83731905 Capacitance of right DL [F/m2] = 1.81061878 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46970131 Adsorption of ion 1 on right wall = -4.8911281 Adsorption of ion 2 on left wall = -5.474489 Adsorption of ion 2 on right wall = 6.89474825 ------------------------------------------------------------------------ net charge in left DL = -11.9441903 15.630957 net charge in right DL = 11.7858763 -15.630957 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.413903085 Relative adsorption of ion 1 on right wall = -0.312912901 Relative adsorption of ion 2 on left wall = -0.350233771 Relative adsorption of ion 2 on right wall = 0.441095722 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00612095916 Right electrode charge = -0.00612095916 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01206 Bulk concentration of Na = 1.01251 ________________________________________________________________________ Average electrode charge 1 = 0.00795211262 Average electrode charge 2 = -0.00795211262 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396244 -0.542024 -0.566449 ________________________________________________________________________ Electrode charge exchange: 0.0637594825 Move Jump Cl: 0.93245 0.36814 Na: 0.93291 0.36827 ________________________________________________________________________ Create NaCl : 191881. / 525697. = 0.36500 Destroy NaCl : 191868. / 524383. = 0.36589 ________________________________________________________________________ Potential at left wall /kT = 1.07296658 Potential at right wall /kT = -1.0898791 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7370866 Potential at right wall /mV = -28.1742895 ________________________________________________________________________ Capacitance of left DL = 0.0397213444 Capacitance of right DL = 0.0391049566 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.80264066 Capacitance of right DL [F/m2] = 1.77466765 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51545072 Adsorption of ion 1 on right wall = -4.86702262 Adsorption of ion 2 on left wall = -5.45888471 Adsorption of ion 2 on right wall = 6.97528767 ------------------------------------------------------------------------ net charge in left DL = -11.9743354 9.182999 net charge in right DL = 11.8423103 -9.182999 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.709512297 Relative adsorption of ion 1 on right wall = -0.530003609 Relative adsorption of ion 2 on left wall = -0.594455549 Relative adsorption of ion 2 on right wall = 0.75958711 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00718310189 Right electrode charge = -0.00718310189 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01196 Bulk concentration of Na = 1.01245 ________________________________________________________________________ Average electrode charge 1 = 0.00793107516 Average electrode charge 2 = -0.00793107516 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396087 -0.542024 -0.566292 ________________________________________________________________________ Electrode charge exchange: 0.0637856752 Move Jump Cl: 0.93245 0.36812 Na: 0.93299 0.36830 ________________________________________________________________________ Create NaCl : 197453. / 540662. = 0.36521 Destroy NaCl : 197442. / 539376. = 0.36606 ________________________________________________________________________ Potential at left wall /kT = 1.05341744 Potential at right wall /kT = -1.06645783 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2317249 Potential at right wall /mV = -27.5688299 ________________________________________________________________________ Capacitance of left DL = 0.0474790669 Capacitance of right DL = 0.0468985042 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83609376 Capacitance of right DL [F/m2] = 1.81364244 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47797191 Adsorption of ion 1 on right wall = -4.8393443 Adsorption of ion 2 on left wall = -5.4557063 Adsorption of ion 2 on right wall = 6.95177934 ------------------------------------------------------------------------ net charge in left DL = -11.9336782 10.7764838 net charge in right DL = 11.7911236 -10.7764838 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.601121108 Relative adsorption of ion 1 on right wall = -0.449065239 Relative adsorption of ion 2 on left wall = -0.506260334 Relative adsorption of ion 2 on right wall = 0.645087901 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00585812074 Right electrode charge = -0.00585812074 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01188 Bulk concentration of Na = 1.01252 ________________________________________________________________________ Average electrode charge 1 = 0.00792277435 Average electrode charge 2 = -0.00792277435 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396067 -0.542024 -0.566272 ________________________________________________________________________ Electrode charge exchange: 0.0638671205 Move Jump Cl: 0.93239 0.36830 Na: 0.93313 0.36840 ________________________________________________________________________ Create NaCl : 202818. / 555579. = 0.36506 Destroy NaCl : 202818. / 554277. = 0.36591 ________________________________________________________________________ Potential at left wall /kT = 1.05448226 Potential at right wall /kT = -1.06937231 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2592513 Potential at right wall /mV = -27.6441715 ________________________________________________________________________ Capacitance of left DL = 0.0386820689 Capacitance of right DL = 0.0381434558 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83423967 Capacitance of right DL [F/m2] = 1.80869953 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46194788 Adsorption of ion 1 on right wall = -4.77793951 Adsorption of ion 2 on left wall = -5.48492246 Adsorption of ion 2 on right wall = 6.97999556 ------------------------------------------------------------------------ net charge in left DL = -11.9468703 8.78867437 net charge in right DL = 11.7579351 -8.78867437 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.73525854 Relative adsorption of ion 1 on right wall = -0.543647348 Relative adsorption of ion 2 on left wall = -0.62408985 Relative adsorption of ion 2 on right wall = 0.794203456 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00625706995 Right electrode charge = -0.00625706995 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01254 Bulk concentration of Na = 1.01302 ________________________________________________________________________ Average electrode charge 1 = 0.0079174455 Average electrode charge 2 = -0.0079174455 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.397210 -0.542024 -0.567414 ________________________________________________________________________ Electrode charge exchange: 0.0638664666 Move Jump Cl: 0.93243 0.36809 Na: 0.93309 0.36843 ________________________________________________________________________ Create NaCl : 208236. / 570619. = 0.36493 Destroy NaCl : 208237. / 569340. = 0.36575 ________________________________________________________________________ Potential at left wall /kT = 1.05165973 Potential at right wall /kT = -1.06151348 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1862867 Potential at right wall /mV = -27.4410142 ________________________________________________________________________ Capacitance of left DL = 0.0414272797 Capacitance of right DL = 0.0410427214 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83916254 Capacitance of right DL [F/m2] = 1.82209009 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.37100009 Adsorption of ion 1 on right wall = -4.80695079 Adsorption of ion 2 on left wall = -5.54040328 Adsorption of ion 2 on right wall = 6.96421952 ------------------------------------------------------------------------ net charge in left DL = -11.9114034 9.38719988 net charge in right DL = 11.7711703 -9.38719988 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.678690149 Relative adsorption of ion 1 on right wall = -0.512075044 Relative adsorption of ion 2 on left wall = -0.5902083 Relative adsorption of ion 2 on right wall = 0.741884653 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0085391702 Right electrode charge = -0.0085391702 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01188 Bulk concentration of Na = 1.01245 ________________________________________________________________________ Average electrode charge 1 = 0.00790286755 Average electrode charge 2 = -0.00790286755 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.396004 -0.542024 -0.566209 ________________________________________________________________________ Electrode charge exchange: 0.0638817175 Move Jump Cl: 0.93248 0.36816 Na: 0.93302 0.36834 ________________________________________________________________________ Create NaCl : 213710. / 585727. = 0.36486 Destroy NaCl : 213698. / 584283. = 0.36574 ________________________________________________________________________ Potential at left wall /kT = 1.04833681 Potential at right wall /kT = -1.0582011 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1003864 Potential at right wall /mV = -27.3553865 ________________________________________________________________________ Capacitance of left DL = 0.0567159859 Capacitance of right DL = 0.0561872936 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.84499214 Capacitance of right DL [F/m2] = 1.82779359 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.42433787 Adsorption of ion 1 on right wall = -4.75933862 Adsorption of ion 2 on left wall = -5.47722133 Adsorption of ion 2 on right wall = 6.97583123 ------------------------------------------------------------------------ net charge in left DL = -11.9015592 12.810932 net charge in right DL = 11.7351699 -12.810932 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.501473108 Relative adsorption of ion 1 on right wall = -0.371506041 Relative adsorption of ion 2 on left wall = -0.427542769 Relative adsorption of ion 2 on right wall = 0.54452176 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00836753547 Right electrode charge = -0.00836753547 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01183 Bulk concentration of Na = 1.01234 ________________________________________________________________________ Average electrode charge 1 = 0.00790390635 Average electrode charge 2 = -0.00790390635 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.371819 -15.395845 -0.542024 -0.566050 ________________________________________________________________________ Electrode charge exchange: 0.063821123 Move Jump Cl: 0.93266 0.36820 Na: 0.93320 0.36849 ________________________________________________________________________ Create NaCl : 219130. / 600825. = 0.36472 Destroy NaCl : 219144. / 599116. = 0.36578 ________________________________________________________________________ Potential at left wall /kT = 1.03965854 Potential at right wall /kT = -1.04802246 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8760458 Potential at right wall /mV = -27.09226 ________________________________________________________________________ Capacitance of left DL = 0.0560399175 Capacitance of right DL = 0.0555926819 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.86039272 Capacitance of right DL [F/m2] = 1.84554555 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49067278 Adsorption of ion 1 on right wall = -4.82527472 Adsorption of ion 2 on left wall = -5.39580528 Adsorption of ion 2 on right wall = 6.91374222 ------------------------------------------------------------------------ net charge in left DL = -11.8864781 12.5534361 net charge in right DL = 11.7390169 -12.5534361 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.517043519 Relative adsorption of ion 1 on right wall = -0.3843788 Relative adsorption of ion 2 on left wall = -0.42982696 Relative adsorption of ion 2 on right wall = 0.550745003 ________________________________________________________________________ End of iteration 2 ======================================================================== 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 12.3542364 net charge on right wall /e = -12.3542364 net charge on walls /e (starting) = 0. Initial sigma = 0.00823475823 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 3 1 1. 1.01233708 1 -15.3718194 -15.3958451 1 -1.06 -0.566049712 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 3 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00737291843 Right electrode charge = -0.00737291843 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99505 Bulk concentration of Na = 0.99463 ________________________________________________________________________ Average electrode charge 1 = 0.00782202533 Average electrode charge 2 = -0.00782202533 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.385496 -0.566050 -0.555700 ________________________________________________________________________ Electrode charge exchange: 0.0637855142 Move Jump Cl: 0.93300 0.36442 Na: 0.93716 0.37172 ________________________________________________________________________ Create NaCl : 5602. / 14975. = 0.37409 Destroy NaCl : 5614. / 15118. = 0.37135 ________________________________________________________________________ Potential at left wall /kT = 2.74815044 Potential at right wall /kT = -2.63019624 ------------------------------------------------------------------------ Potential at left wall /mV = 71.0419951 Potential at right wall /mV = -67.9927801 ________________________________________________________________________ Capacitance of left DL = 0.0186805466 Capacitance of right DL = 0.0195182973 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 0.703809063 Capacitance of right DL [F/m2] = 0.735372195 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08158747 Adsorption of ion 1 on right wall = -4.69032919 Adsorption of ion 2 on left wall = -7.71370336 Adsorption of ion 2 on right wall = 8.22841331 ------------------------------------------------------------------------ net charge in left DL = -12.7952908 11.061257 net charge in right DL = 12.9187425 -11.061257 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.459404158 Relative adsorption of ion 1 on right wall = -0.424032204 Relative adsorption of ion 2 on left wall = -0.697362274 Relative adsorption of ion 2 on right wall = 0.743894956 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00494436249 Right electrode charge = -0.00494436249 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00060 Bulk concentration of Na = 0.99630 ________________________________________________________________________ Average electrode charge 1 = 0.00784452135 Average electrode charge 2 = -0.00784452135 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.392739 -0.566050 -0.562943 ________________________________________________________________________ Electrode charge exchange: 0.0637313935 Move Jump Cl: 0.93275 0.36496 Na: 0.93200 0.37106 ________________________________________________________________________ Create NaCl : 11169. / 30092. = 0.37116 Destroy NaCl : 11167. / 30004. = 0.37218 ________________________________________________________________________ Potential at left wall /kT = 1.78654239 Potential at right wall /kT = -1.73968065 ------------------------------------------------------------------------ Potential at left wall /mV = 46.1836201 Potential at right wall /mV = -44.9722048 ________________________________________________________________________ Capacitance of left DL = 0.0192702625 Capacitance of right DL = 0.0197893451 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.08263492 Capacitance of right DL [F/m2] = 1.11179784 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.53572618 Adsorption of ion 1 on right wall = -5.16124048 Adsorption of ion 2 on left wall = -6.08826947 Adsorption of ion 2 on right wall = 7.72421386 ------------------------------------------------------------------------ net charge in left DL = -11.6239957 7.41780408 net charge in right DL = 12.8854543 -7.41780408 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.746275599 Relative adsorption of ion 1 on right wall = -0.695790888 Relative adsorption of ion 2 on left wall = -0.820764395 Relative adsorption of ion 2 on right wall = 1.04130734 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0073712353 Right electrode charge = -0.0073712353 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99284 Bulk concentration of Na = 0.98983 ________________________________________________________________________ Average electrode charge 1 = 0.00759028652 Average electrode charge 2 = -0.00759028652 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.378437 -0.566050 -0.548642 ________________________________________________________________________ Electrode charge exchange: 0.063721681 Move Jump Cl: 0.93243 0.36699 Na: 0.93282 0.37412 ________________________________________________________________________ Create NaCl : 16669. / 45020. = 0.37026 Destroy NaCl : 16678. / 45004. = 0.37059 ________________________________________________________________________ Potential at left wall /kT = 1.71183932 Potential at right wall /kT = -1.68264264 ------------------------------------------------------------------------ Potential at left wall /mV = 44.2524829 Potential at right wall /mV = -43.4977243 ________________________________________________________________________ Capacitance of left DL = 0.0299825061 Capacitance of right DL = 0.0305027529 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.1298801 Capacitance of right DL [F/m2] = 1.14948542 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.01760279 Adsorption of ion 1 on right wall = -4.58062498 Adsorption of ion 2 on left wall = -5.38803313 Adsorption of ion 2 on right wall = 7.70373909 ------------------------------------------------------------------------ net charge in left DL = -11.4056359 11.0587319 net charge in right DL = 12.2843641 -11.0587319 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.544149441 Relative adsorption of ion 1 on right wall = -0.414208882 Relative adsorption of ion 2 on left wall = -0.487219798 Relative adsorption of ion 2 on right wall = 0.696620476 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00590328695 Right electrode charge = -0.00590328695 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99990 Bulk concentration of Na = 0.99688 ________________________________________________________________________ Average electrode charge 1 = 0.00748438327 Average electrode charge 2 = -0.00748438327 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.392624 -0.566050 -0.562829 ________________________________________________________________________ Electrode charge exchange: 0.0636883559 Move Jump Cl: 0.93285 0.36561 Na: 0.93352 0.37336 ________________________________________________________________________ Create NaCl : 22160. / 60012. = 0.36926 Destroy NaCl : 22169. / 60015. = 0.36939 ________________________________________________________________________ Potential at left wall /kT = 1.59225786 Potential at right wall /kT = -1.59190728 ------------------------------------------------------------------------ Potential at left wall /mV = 41.1612018 Potential at right wall /mV = -41.152139 ________________________________________________________________________ Capacitance of left DL = 0.0258149416 Capacitance of right DL = 0.0258206267 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.21473616 Capacitance of right DL [F/m2] = 1.21500367 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.86104001 Adsorption of ion 1 on right wall = -5.54455165 Adsorption of ion 2 on left wall = -5.30797154 Adsorption of ion 2 on right wall = 6.50949513 ------------------------------------------------------------------------ net charge in left DL = -11.1690116 8.8564352 net charge in right DL = 12.0540468 -8.8564352 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.661783198 Relative adsorption of ion 1 on right wall = -0.626047786 Relative adsorption of ion 2 on left wall = -0.599334994 Relative adsorption of ion 2 on right wall = 0.735001722 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00823685733 Right electrode charge = -0.00823685733 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00018 Bulk concentration of Na = 0.99717 ________________________________________________________________________ Average electrode charge 1 = 0.00750622136 Average electrode charge 2 = -0.00750622136 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.393184 -0.566050 -0.563389 ________________________________________________________________________ Electrode charge exchange: 0.0637478095 Move Jump Cl: 0.93328 0.36670 Na: 0.93308 0.37348 ________________________________________________________________________ Create NaCl : 27698. / 75089. = 0.36887 Destroy NaCl : 27703. / 74874. = 0.36999 ________________________________________________________________________ Potential at left wall /kT = 1.65622619 Potential at right wall /kT = -1.65519969 ------------------------------------------------------------------------ Potential at left wall /mV = 42.8148369 Potential at right wall /mV = -42.7883009 ________________________________________________________________________ Capacitance of left DL = 0.0346284098 Capacitance of right DL = 0.0346498853 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.16781947 Capacitance of right DL [F/m2] = 1.16854371 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.33348168 Adsorption of ion 1 on right wall = -5.15854832 Adsorption of ion 2 on left wall = -5.9148734 Adsorption of ion 2 on right wall = 6.97164993 ------------------------------------------------------------------------ net charge in left DL = -11.2483551 12.3573856 net charge in right DL = 12.1301983 -12.3573856 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.431602755 Relative adsorption of ion 1 on right wall = -0.417446577 Relative adsorption of ion 2 on left wall = -0.478650872 Relative adsorption of ion 2 on right wall = 0.56416868 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00959369942 Right electrode charge = -0.00959369942 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00004 Bulk concentration of Na = 0.99691 ________________________________________________________________________ Average electrode charge 1 = 0.00766859962 Average electrode charge 2 = -0.00766859962 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.392790 -0.566050 -0.562994 ________________________________________________________________________ Electrode charge exchange: 0.0636641791 Move Jump Cl: 0.93397 0.36722 Na: 0.93408 0.37352 ________________________________________________________________________ Create NaCl : 33202. / 90050. = 0.36871 Destroy NaCl : 33220. / 89835. = 0.36979 ________________________________________________________________________ Potential at left wall /kT = 1.56555345 Potential at right wall /kT = -1.56932148 ------------------------------------------------------------------------ Potential at left wall /mV = 40.4708704 Potential at right wall /mV = -40.5682771 ________________________________________________________________________ Capacitance of left DL = 0.042668646 Capacitance of right DL = 0.0425661962 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.2354565 Capacitance of right DL [F/m2] = 1.2324901 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.66475644 Adsorption of ion 1 on right wall = -5.35478523 Adsorption of ion 2 on left wall = -5.73967781 Adsorption of ion 2 on right wall = 6.96509163 ------------------------------------------------------------------------ net charge in left DL = -11.4044343 14.3929946 net charge in right DL = 12.3198769 -14.3929946 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.393577334 Relative adsorption of ion 1 on right wall = -0.372041078 Relative adsorption of ion 2 on left wall = -0.398782739 Relative adsorption of ion 2 on right wall = 0.48392234 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00884820979 Right electrode charge = -0.00884820979 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99867 Bulk concentration of Na = 0.99539 ________________________________________________________________________ Average electrode charge 1 = 0.00770860142 Average electrode charge 2 = -0.00770860142 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.389890 -0.566050 -0.560095 ________________________________________________________________________ Electrode charge exchange: 0.0636431034 Move Jump Cl: 0.93439 0.36676 Na: 0.93311 0.37224 ________________________________________________________________________ Create NaCl : 38776. / 105168. = 0.36871 Destroy NaCl : 38770. / 104831. = 0.36983 ________________________________________________________________________ Potential at left wall /kT = 1.52197859 Potential at right wall /kT = -1.50253602 ------------------------------------------------------------------------ Potential at left wall /mV = 39.3444239 Potential at right wall /mV = -38.841817 ________________________________________________________________________ Capacitance of left DL = 0.0404797218 Capacitance of right DL = 0.041003523 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.27082811 Capacitance of right DL [F/m2] = 1.28727243 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.76304669 Adsorption of ion 1 on right wall = -5.08786759 Adsorption of ion 2 on left wall = -5.63975157 Adsorption of ion 2 on right wall = 7.27721034 ------------------------------------------------------------------------ net charge in left DL = -11.4027983 13.2745701 net charge in right DL = 12.3650779 -13.2745701 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.43414187 Relative adsorption of ion 1 on right wall = -0.383279273 Relative adsorption of ion 2 on left wall = -0.4248538 Relative adsorption of ion 2 on right wall = 0.548206855 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00836725011 Right electrode charge = -0.00836725011 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99910 Bulk concentration of Na = 0.99631 ________________________________________________________________________ Average electrode charge 1 = 0.00777804802 Average electrode charge 2 = -0.00777804802 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.391245 -0.566050 -0.561450 ________________________________________________________________________ Electrode charge exchange: 0.0636553761 Move Jump Cl: 0.93416 0.36767 Na: 0.93291 0.37187 ________________________________________________________________________ Create NaCl : 44317. / 120141. = 0.36887 Destroy NaCl : 44326. / 119936. = 0.36958 ________________________________________________________________________ Potential at left wall /kT = 1.5420802 Potential at right wall /kT = -1.53528189 ------------------------------------------------------------------------ Potential at left wall /mV = 39.8640672 Potential at right wall /mV = -39.6883254 ________________________________________________________________________ Capacitance of left DL = 0.0377803906 Capacitance of right DL = 0.037947684 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.25426239 Capacitance of right DL [F/m2] = 1.25981632 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.00920281 Adsorption of ion 1 on right wall = -5.19734094 Adsorption of ion 2 on left wall = -5.58299475 Adsorption of ion 2 on right wall = 7.20981983 ------------------------------------------------------------------------ net charge in left DL = -11.5921976 12.553008 net charge in right DL = 12.4071608 -12.553008 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478706203 Relative adsorption of ion 1 on right wall = -0.414031516 Relative adsorption of ion 2 on left wall = -0.44475354 Relative adsorption of ion 2 on right wall = 0.574349975 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00581959951 Right electrode charge = -0.00581959951 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 318 -1.00 3.0000 1.5000 Na ion: 318 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00123 Bulk concentration of Na = 0.99859 ________________________________________________________________________ Average electrode charge 1 = 0.00773755829 Average electrode charge 2 = -0.00773755829 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.395663 -0.566050 -0.565868 ________________________________________________________________________ Electrode charge exchange: 0.0636318636 Move Jump Cl: 0.93348 0.36774 Na: 0.93272 0.37217 ________________________________________________________________________ Create NaCl : 49703. / 135028. = 0.36809 Destroy NaCl : 49685. / 134899. = 0.36831 ________________________________________________________________________ Potential at left wall /kT = 1.55144745 Potential at right wall /kT = -1.55924677 ------------------------------------------------------------------------ Potential at left wall /mV = 40.1062186 Potential at right wall /mV = -40.3078375 ________________________________________________________________________ Capacitance of left DL = 0.0261184067 Capacitance of right DL = 0.025987763 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.24668946 Capacitance of right DL [F/m2] = 1.24045355 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.96648708 Adsorption of ion 1 on right wall = -5.38833329 Adsorption of ion 2 on left wall = -5.60090443 Adsorption of ion 2 on right wall = 6.95026779 ------------------------------------------------------------------------ net charge in left DL = -11.5673915 8.7308827 net charge in right DL = 12.3386011 -8.7308827 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.683377304 Relative adsorption of ion 1 on right wall = -0.617157907 Relative adsorption of ion 2 on left wall = -0.641504945 Relative adsorption of ion 2 on right wall = 0.796055568 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00536857477 Right electrode charge = -0.00536857477 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00151 Bulk concentration of Na = 0.99935 ________________________________________________________________________ Average electrode charge 1 = 0.00773216055 Average electrode charge 2 = -0.00773216055 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.396711 -0.566050 -0.566916 ________________________________________________________________________ Electrode charge exchange: 0.0636517305 Move Jump Cl: 0.93356 0.36754 Na: 0.93256 0.37189 ________________________________________________________________________ Create NaCl : 55179. / 149983. = 0.36790 Destroy NaCl : 55187. / 149961. = 0.36801 ________________________________________________________________________ Potential at left wall /kT = 1.4406497 Potential at right wall /kT = -1.46141627 ------------------------------------------------------------------------ Potential at left wall /mV = 37.2420038 Potential at right wall /mV = -37.778837 ________________________________________________________________________ Capacitance of left DL = 0.0259472457 Capacitance of right DL = 0.0255785382 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.34257008 Capacitance of right DL [F/m2] = 1.3234923 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.84467617 Adsorption of ion 1 on right wall = -5.37407383 Adsorption of ion 2 on left wall = -5.70550129 Adsorption of ion 2 on right wall = 6.80905537 ------------------------------------------------------------------------ net charge in left DL = -11.5501775 8.05423063 net charge in right DL = 12.1831292 -8.05423063 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.72566536 Relative adsorption of ion 1 on right wall = -0.667236148 Relative adsorption of ion 2 on left wall = -0.708385636 Relative adsorption of ion 2 on right wall = 0.845401092 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00814221801 Right electrode charge = -0.00814221801 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00273 Bulk concentration of Na = 1.00070 ________________________________________________________________________ Average electrode charge 1 = 0.00774560838 Average electrode charge 2 = -0.00774560838 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.399267 -0.566050 -0.569472 ________________________________________________________________________ Electrode charge exchange: 0.0636386064 Move Jump Cl: 0.93365 0.36826 Na: 0.93321 0.37130 ________________________________________________________________________ Create NaCl : 60708. / 165040. = 0.36784 Destroy NaCl : 60701. / 165050. = 0.36777 ________________________________________________________________________ Potential at left wall /kT = 1.44688766 Potential at right wall /kT = -1.47782781 ------------------------------------------------------------------------ Potential at left wall /mV = 37.4032602 Potential at right wall /mV = -38.203089 ________________________________________________________________________ Capacitance of left DL = 0.0391830796 Capacitance of right DL = 0.0383627335 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.33678187 Capacitance of right DL [F/m2] = 1.30879469 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.66969891 Adsorption of ion 1 on right wall = -5.53666169 Adsorption of ion 2 on left wall = -5.92775436 Adsorption of ion 2 on right wall = 6.65365776 ------------------------------------------------------------------------ net charge in left DL = -11.5974533 12.2154025 net charge in right DL = 12.1903195 -12.2154025 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.464143438 Relative adsorption of ion 1 on right wall = -0.453252498 Relative adsorption of ion 2 on left wall = -0.485268853 Relative adsorption of ion 2 on right wall = 0.544694107 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00850210619 Right electrode charge = -0.00850210619 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00281 Bulk concentration of Na = 1.00128 ________________________________________________________________________ Average electrode charge 1 = 0.00774039692 Average electrode charge 2 = -0.00774039692 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.399926 -0.566050 -0.570130 ________________________________________________________________________ Electrode charge exchange: 0.0636677588 Move Jump Cl: 0.93383 0.36895 Na: 0.93326 0.37185 ________________________________________________________________________ Create NaCl : 66249. / 180087. = 0.36787 Destroy NaCl : 66256. / 180009. = 0.36807 ________________________________________________________________________ Potential at left wall /kT = 1.33910031 Potential at right wall /kT = -1.37480162 ------------------------------------------------------------------------ Potential at left wall /mV = 34.6168667 Potential at right wall /mV = -35.5397756 ________________________________________________________________________ Capacitance of left DL = 0.0442083258 Capacitance of right DL = 0.0430603091 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.4443826 Capacitance of right DL [F/m2] = 1.40687439 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.51295463 Adsorption of ion 1 on right wall = -5.61882871 Adsorption of ion 2 on left wall = -6.0732383 Adsorption of ion 2 on right wall = 6.41491448 ------------------------------------------------------------------------ net charge in left DL = -11.5861929 12.7553265 net charge in right DL = 12.0337432 -12.7553265 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.432208036 Relative adsorption of ion 1 on right wall = -0.440508418 Relative adsorption of ion 2 on left wall = -0.476133503 Relative adsorption of ion 2 on right wall = 0.502920444 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00984144636 Right electrode charge = -0.00984144636 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00274 Bulk concentration of Na = 1.00101 ________________________________________________________________________ Average electrode charge 1 = 0.00772557998 Average electrode charge 2 = -0.00772557998 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.399586 -0.566050 -0.569790 ________________________________________________________________________ Electrode charge exchange: 0.063647237 Move Jump Cl: 0.93375 0.36888 Na: 0.93334 0.37147 ________________________________________________________________________ Create NaCl : 71788. / 195048. = 0.36805 Destroy NaCl : 71807. / 195036. = 0.36817 ________________________________________________________________________ Potential at left wall /kT = 1.36712301 Potential at right wall /kT = -1.39808933 ------------------------------------------------------------------------ Potential at left wall /mV = 35.341277 Potential at right wall /mV = -36.1417824 ________________________________________________________________________ Capacitance of left DL = 0.0501235695 Capacitance of right DL = 0.0490133811 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.41477627 Capacitance of right DL [F/m2] = 1.38344035 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.74308086 Adsorption of ion 1 on right wall = -5.67908324 Adsorption of ion 2 on left wall = -5.8118059 Adsorption of ion 2 on right wall = 6.38255307 ------------------------------------------------------------------------ net charge in left DL = -11.5548868 14.7646782 net charge in right DL = 12.0616363 -14.7646782 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.388974334 Relative adsorption of ion 1 on right wall = -0.384639826 Relative adsorption of ion 2 on left wall = -0.393629027 Relative adsorption of ion 2 on right wall = 0.432285282 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00752728466 Right electrode charge = -0.00752728466 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00069 Bulk concentration of Na = 0.99938 ________________________________________________________________________ Average electrode charge 1 = 0.00773758727 Average electrode charge 2 = -0.00773758727 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.395916 -0.566050 -0.566121 ________________________________________________________________________ Electrode charge exchange: 0.0635741628 Move Jump Cl: 0.93421 0.36880 Na: 0.93344 0.37105 ________________________________________________________________________ Create NaCl : 77322. / 210144. = 0.36795 Destroy NaCl : 77330. / 210024. = 0.36820 ________________________________________________________________________ Potential at left wall /kT = 1.29150482 Potential at right wall /kT = -1.32115272 ------------------------------------------------------------------------ Potential at left wall /mV = 33.3864835 Potential at right wall /mV = -34.1529066 ________________________________________________________________________ Capacitance of left DL = 0.0405819546 Capacitance of right DL = 0.0396712577 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.49761205 Capacitance of right DL [F/m2] = 1.46400424 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.14389212 Adsorption of ion 1 on right wall = -5.60171026 Adsorption of ion 2 on left wall = -5.43382853 Adsorption of ion 2 on right wall = 6.36083813 ------------------------------------------------------------------------ net charge in left DL = -11.5777207 11.2928457 net charge in right DL = 11.9625484 -11.2928457 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.544051718 Relative adsorption of ion 1 on right wall = -0.496040625 Relative adsorption of ion 2 on left wall = -0.481174423 Relative adsorption of ion 2 on right wall = 0.563262643 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.010155935 Right electrode charge = -0.010155935 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99993 Bulk concentration of Na = 0.99882 ________________________________________________________________________ Average electrode charge 1 = 0.00770699396 Average electrode charge 2 = -0.00770699396 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.394596 -0.566050 -0.564801 ________________________________________________________________________ Electrode charge exchange: 0.0635687876 Move Jump Cl: 0.93456 0.36875 Na: 0.93344 0.37151 ________________________________________________________________________ Create NaCl : 82808. / 225182. = 0.36774 Destroy NaCl : 82817. / 225097. = 0.36792 ________________________________________________________________________ Potential at left wall /kT = 1.24223914 Potential at right wall /kT = -1.27594377 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1129242 Potential at right wall /mV = -32.9842172 ________________________________________________________________________ Capacitance of left DL = 0.0569253036 Capacitance of right DL = 0.0554215961 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.55700551 Capacitance of right DL [F/m2] = 1.51587651 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23406122 Adsorption of ion 1 on right wall = -5.51053766 Adsorption of ion 2 on left wall = -5.29441421 Adsorption of ion 2 on right wall = 6.34267357 ------------------------------------------------------------------------ net charge in left DL = -11.5284754 15.2364912 net charge in right DL = 11.8532112 -15.2364912 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.409153336 Relative adsorption of ion 1 on right wall = -0.361667104 Relative adsorption of ion 2 on left wall = -0.347482509 Relative adsorption of ion 2 on right wall = 0.416281772 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0114106278 Right electrode charge = -0.0114106278 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00037 Bulk concentration of Na = 0.99963 ________________________________________________________________________ Average electrode charge 1 = 0.00769706803 Average electrode charge 2 = -0.00769706803 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.395850 -0.566050 -0.566054 ________________________________________________________________________ Electrode charge exchange: 0.0635658055 Move Jump Cl: 0.93423 0.36836 Na: 0.93341 0.37078 ________________________________________________________________________ Create NaCl : 88314. / 240279. = 0.36755 Destroy NaCl : 88305. / 240181. = 0.36766 ________________________________________________________________________ Potential at left wall /kT = 1.26809618 Potential at right wall /kT = -1.30341499 ------------------------------------------------------------------------ Potential at left wall /mV = 32.7813503 Potential at right wall /mV = -33.6943712 ________________________________________________________________________ Capacitance of left DL = 0.0626538839 Capacitance of right DL = 0.0609561432 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.52525749 Capacitance of right DL [F/m2] = 1.48392738 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.36512759 Adsorption of ion 1 on right wall = -5.32988491 Adsorption of ion 2 on left wall = -5.22463338 Adsorption of ion 2 on right wall = 6.47591037 ------------------------------------------------------------------------ net charge in left DL = -11.589761 17.1188503 net charge in right DL = 11.8057953 -17.1188503 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.371819806 Relative adsorption of ion 1 on right wall = -0.311345962 Relative adsorption of ion 2 on left wall = -0.305197679 Relative adsorption of ion 2 on right wall = 0.378291198 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00971640151 Right electrode charge = -0.00971640151 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00198 Bulk concentration of Na = 1.00133 ________________________________________________________________________ Average electrode charge 1 = 0.00776975557 Average electrode charge 2 = -0.00776975557 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.399150 -0.566050 -0.569354 ________________________________________________________________________ Electrode charge exchange: 0.0635710366 Move Jump Cl: 0.93380 0.36880 Na: 0.93335 0.37042 ________________________________________________________________________ Create NaCl : 93740. / 255442. = 0.36697 Destroy NaCl : 93753. / 255101. = 0.36751 ________________________________________________________________________ Potential at left wall /kT = 1.297098 Potential at right wall /kT = -1.33082575 ------------------------------------------------------------------------ Potential at left wall /mV = 33.5310718 Potential at right wall /mV = -34.4029625 ________________________________________________________________________ Capacitance of left DL = 0.0521582865 Capacitance of right DL = 0.0508364142 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.49115424 Capacitance of right DL [F/m2] = 1.45336321 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.363656 Adsorption of ion 1 on right wall = -5.37605577 Adsorption of ion 2 on left wall = -5.36089192 Adsorption of ion 2 on right wall = 6.54100808 ------------------------------------------------------------------------ net charge in left DL = -11.7245479 14.577079 net charge in right DL = 11.9170638 -14.577079 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.436552206 Relative adsorption of ion 1 on right wall = -0.368801991 Relative adsorption of ion 2 on left wall = -0.367761738 Relative adsorption of ion 2 on right wall = 0.448718709 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0062280741 Right electrode charge = -0.0062280741 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00221 Bulk concentration of Na = 1.00157 ________________________________________________________________________ Average electrode charge 1 = 0.00777984675 Average electrode charge 2 = -0.00777984675 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.399623 -0.566050 -0.569828 ________________________________________________________________________ Electrode charge exchange: 0.063555013 Move Jump Cl: 0.93403 0.36857 Na: 0.93357 0.37060 ________________________________________________________________________ Create NaCl : 99205. / 270449. = 0.36682 Destroy NaCl : 99214. / 270026. = 0.36742 ________________________________________________________________________ Potential at left wall /kT = 1.25875307 Potential at right wall /kT = -1.29135643 ------------------------------------------------------------------------ Potential at left wall /mV = 32.5398232 Potential at right wall /mV = -33.3826475 ________________________________________________________________________ Capacitance of left DL = 0.0344511625 Capacitance of right DL = 0.033581361 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.53657872 Capacitance of right DL [F/m2] = 1.49778414 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.26908889 Adsorption of ion 1 on right wall = -5.29236852 Adsorption of ion 2 on left wall = -5.44341438 Adsorption of ion 2 on right wall = 6.60814673 ------------------------------------------------------------------------ net charge in left DL = -11.7125033 9.34369871 net charge in right DL = 11.9005152 -9.34369871 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.670942962 Relative adsorption of ion 1 on right wall = -0.566410442 Relative adsorption of ion 2 on left wall = -0.582575974 Relative adsorption of ion 2 on right wall = 0.707230288 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00989317364 Right electrode charge = -0.00989317364 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00286 Bulk concentration of Na = 1.00180 ________________________________________________________________________ Average electrode charge 1 = 0.00778603593 Average electrode charge 2 = -0.00778603593 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.400501 -0.566050 -0.570706 ________________________________________________________________________ Electrode charge exchange: 0.0635415091 Move Jump Cl: 0.93392 0.36887 Na: 0.93355 0.37074 ________________________________________________________________________ Create NaCl : 104783. / 285379. = 0.36717 Destroy NaCl : 104774. / 285153. = 0.36743 ________________________________________________________________________ Potential at left wall /kT = 1.28514249 Potential at right wall /kT = -1.30486971 ------------------------------------------------------------------------ Potential at left wall /mV = 33.2220119 Potential at right wall /mV = -33.7319771 ________________________________________________________________________ Capacitance of left DL = 0.0536012603 Capacitance of right DL = 0.0527909082 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.50502625 Capacitance of right DL [F/m2] = 1.48227303 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.05834579 Adsorption of ion 1 on right wall = -5.32047878 Adsorption of ion 2 on left wall = -5.61638961 Adsorption of ion 2 on right wall = 6.66539811 ------------------------------------------------------------------------ net charge in left DL = -11.6747354 14.8422823 net charge in right DL = 11.9858769 -14.8422823 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.40818155 Relative adsorption of ion 1 on right wall = -0.358467699 Relative adsorption of ion 2 on left wall = -0.378404716 Relative adsorption of ion 2 on right wall = 0.449081751 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00602718752 Right electrode charge = -0.00602718752 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 268 -1.00 3.0000 1.5000 Na ion: 268 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00399 Bulk concentration of Na = 1.00299 ________________________________________________________________________ Average electrode charge 1 = 0.00779690246 Average electrode charge 2 = -0.00779690246 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.402818 -0.566050 -0.573022 ________________________________________________________________________ Electrode charge exchange: 0.0635657006 Move Jump Cl: 0.93387 0.36908 Na: 0.93313 0.37035 ________________________________________________________________________ Create NaCl : 110277. / 300399. = 0.36710 Destroy NaCl : 110309. / 300056. = 0.36763 ________________________________________________________________________ Potential at left wall /kT = 1.26764871 Potential at right wall /kT = -1.29708763 ------------------------------------------------------------------------ Potential at left wall /mV = 32.7697831 Potential at right wall /mV = -33.5308037 ________________________________________________________________________ Capacitance of left DL = 0.0331059791 Capacitance of right DL = 0.0323546003 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.52579588 Capacitance of right DL [F/m2] = 1.49116617 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.92372306 Adsorption of ion 1 on right wall = -5.22988277 Adsorption of ion 2 on left wall = -5.76636519 Adsorption of ion 2 on right wall = 6.75343898 ------------------------------------------------------------------------ net charge in left DL = -11.6900882 9.04231763 net charge in right DL = 11.9833218 -9.04231763 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.655111145 Relative adsorption of ion 1 on right wall = -0.578378573 Relative adsorption of ion 2 on left wall = -0.637708762 Relative adsorption of ion 2 on right wall = 0.746870355 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00509017872 Right electrode charge = -0.00509017872 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00284 Bulk concentration of Na = 1.00183 ________________________________________________________________________ Average electrode charge 1 = 0.00780027043 Average electrode charge 2 = -0.00780027043 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.400516 -0.566050 -0.570721 ________________________________________________________________________ Electrode charge exchange: 0.0635221027 Move Jump Cl: 0.93387 0.36937 Na: 0.93308 0.37047 ________________________________________________________________________ Create NaCl : 115801. / 315485. = 0.36706 Destroy NaCl : 115790. / 315154. = 0.36741 ________________________________________________________________________ Potential at left wall /kT = 1.21946684 Potential at right wall /kT = -1.25129523 ------------------------------------------------------------------------ Potential at left wall /mV = 31.5242411 Potential at right wall /mV = -32.3470317 ________________________________________________________________________ Capacitance of left DL = 0.0290638865 Capacitance of right DL = 0.0283246071 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.586081 Capacitance of right DL [F/m2] = 1.54573688 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.14912045 Adsorption of ion 1 on right wall = -5.39792082 Adsorption of ion 2 on left wall = -5.5129267 Adsorption of ion 2 on right wall = 6.56065267 ------------------------------------------------------------------------ net charge in left DL = -11.6620471 7.63656558 net charge in right DL = 11.9585735 -7.63656558 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.80522067 Relative adsorption of ion 1 on right wall = -0.70685189 Relative adsorption of ion 2 on left wall = -0.721911786 Relative adsorption of ion 2 on right wall = 0.859110368 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00830930025 Right electrode charge = -0.00830930025 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00284 Bulk concentration of Na = 1.00149 ________________________________________________________________________ Average electrode charge 1 = 0.00780588752 Average electrode charge 2 = -0.00780588752 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.400172 -0.566050 -0.570377 ________________________________________________________________________ Electrode charge exchange: 0.0635097184 Move Jump Cl: 0.93385 0.36961 Na: 0.93326 0.37036 ________________________________________________________________________ Create NaCl : 121213. / 330336. = 0.36694 Destroy NaCl : 121218. / 330137. = 0.36717 ________________________________________________________________________ Potential at left wall /kT = 1.20602555 Potential at right wall /kT = -1.2368666 ------------------------------------------------------------------------ Potential at left wall /mV = 31.1767726 Potential at right wall /mV = -31.9740396 ________________________________________________________________________ Capacitance of left DL = 0.0479731898 Capacitance of right DL = 0.0467769867 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.60375805 Capacitance of right DL [F/m2] = 1.56376862 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.06816196 Adsorption of ion 1 on right wall = -5.38415395 Adsorption of ion 2 on left wall = -5.54153202 Adsorption of ion 2 on right wall = 6.62209753 ------------------------------------------------------------------------ net charge in left DL = -11.609694 12.4660685 net charge in right DL = 12.0062515 -12.4660685 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.486774317 Relative adsorption of ion 1 on right wall = -0.431904732 Relative adsorption of ion 2 on left wall = -0.444529247 Relative adsorption of ion 2 on right wall = 0.531209784 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00956398049 Right electrode charge = -0.00956398049 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00252 Bulk concentration of Na = 1.00160 ________________________________________________________________________ Average electrode charge 1 = 0.00779939187 Average electrode charge 2 = -0.00779939187 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.399959 -0.566050 -0.570163 ________________________________________________________________________ Electrode charge exchange: 0.0634834228 Move Jump Cl: 0.93393 0.36983 Na: 0.93329 0.37053 ________________________________________________________________________ Create NaCl : 126683. / 345281. = 0.36690 Destroy NaCl : 126688. / 345126. = 0.36708 ________________________________________________________________________ Potential at left wall /kT = 1.23539761 Potential at right wall /kT = -1.26370793 ------------------------------------------------------------------------ Potential at left wall /mV = 31.936065 Potential at right wall /mV = -32.6679106 ________________________________________________________________________ Capacitance of left DL = 0.0539041965 Capacitance of right DL = 0.0526966033 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.56562808 Capacitance of right DL [F/m2] = 1.53055396 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.14434272 Adsorption of ion 1 on right wall = -5.39301743 Adsorption of ion 2 on left wall = -5.53769003 Adsorption of ion 2 on right wall = 6.55944693 ------------------------------------------------------------------------ net charge in left DL = -11.6820327 14.3484086 net charge in right DL = 11.9524644 -14.3484086 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.428224681 Relative adsorption of ion 1 on right wall = -0.375861711 Relative adsorption of ion 2 on left wall = -0.385944544 Relative adsorption of ion 2 on right wall = 0.457155012 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00966189386 Right electrode charge = -0.00966189386 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00227 Bulk concentration of Na = 1.00120 ________________________________________________________________________ Average electrode charge 1 = 0.00780631274 Average electrode charge 2 = -0.00780631274 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.399314 -0.566050 -0.569518 ________________________________________________________________________ Electrode charge exchange: 0.0634765484 Move Jump Cl: 0.93370 0.36982 Na: 0.93294 0.37073 ________________________________________________________________________ Create NaCl : 132135. / 360410. = 0.36662 Destroy NaCl : 132141. / 359954. = 0.36711 ________________________________________________________________________ Potential at left wall /kT = 1.21655316 Potential at right wall /kT = -1.2422028 ------------------------------------------------------------------------ Potential at left wall /mV = 31.44892 Potential at right wall /mV = -32.1119849 ________________________________________________________________________ Capacitance of left DL = 0.0552995791 Capacitance of right DL = 0.0541577248 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.58987972 Capacitance of right DL [F/m2] = 1.55705106 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.16246066 Adsorption of ion 1 on right wall = -5.33671504 Adsorption of ion 2 on left wall = -5.49263758 Adsorption of ion 2 on right wall = 6.63403394 ------------------------------------------------------------------------ net charge in left DL = -11.6550982 14.4953037 net charge in right DL = 11.970749 -14.4953037 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.425134982 Relative adsorption of ion 1 on right wall = -0.368168558 Relative adsorption of ion 2 on left wall = -0.378925321 Relative adsorption of ion 2 on right wall = 0.457667814 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00782706971 Right electrode charge = -0.00782706971 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00229 Bulk concentration of Na = 1.00107 ________________________________________________________________________ Average electrode charge 1 = 0.00784502922 Average electrode charge 2 = -0.00784502922 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.399202 -0.566050 -0.569406 ________________________________________________________________________ Electrode charge exchange: 0.0634686207 Move Jump Cl: 0.93388 0.36984 Na: 0.93287 0.37077 ________________________________________________________________________ Create NaCl : 137630. / 375287. = 0.36673 Destroy NaCl : 137634. / 375028. = 0.36700 ________________________________________________________________________ Potential at left wall /kT = 1.23982734 Potential at right wall /kT = -1.26008412 ------------------------------------------------------------------------ Potential at left wall /mV = 32.0505771 Potential at right wall /mV = -32.574232 ________________________________________________________________________ Capacitance of left DL = 0.0439570609 Capacitance of right DL = 0.0432504186 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.56003431 Capacitance of right DL [F/m2] = 1.5349556 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.15587788 Adsorption of ion 1 on right wall = -5.52069745 Adsorption of ion 2 on left wall = -5.54873796 Adsorption of ion 2 on right wall = 6.54149871 ------------------------------------------------------------------------ net charge in left DL = -11.7046158 11.7425997 net charge in right DL = 12.0621962 -11.7425997 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.524234669 Relative adsorption of ion 1 on right wall = -0.470142693 Relative adsorption of ion 2 on left wall = -0.472530623 Relative adsorption of ion 2 on right wall = 0.557074146 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00732273223 Right electrode charge = -0.00732273223 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00177 Bulk concentration of Na = 1.00027 ________________________________________________________________________ Average electrode charge 1 = 0.00782422722 Average electrode charge 2 = -0.00782422722 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397886 -0.566050 -0.568091 ________________________________________________________________________ Electrode charge exchange: 0.0634827942 Move Jump Cl: 0.93384 0.36957 Na: 0.93292 0.37075 ________________________________________________________________________ Create NaCl : 143165. / 390364. = 0.36675 Destroy NaCl : 143154. / 390039. = 0.36702 ________________________________________________________________________ Potential at left wall /kT = 1.25579573 Potential at right wall /kT = -1.27581808 ------------------------------------------------------------------------ Potential at left wall /mV = 32.4633735 Potential at right wall /mV = -32.9809681 ________________________________________________________________________ Capacitance of left DL = 0.0406017549 Capacitance of right DL = 0.0399645616 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.5401973 Capacitance of right DL [F/m2] = 1.51602585 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.16776028 Adsorption of ion 1 on right wall = -5.40275959 Adsorption of ion 2 on left wall = -5.47650746 Adsorption of ion 2 on right wall = 6.68165857 ------------------------------------------------------------------------ net charge in left DL = -11.6442677 10.9859649 net charge in right DL = 12.0844182 -10.9859649 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.561421806 Relative adsorption of ion 1 on right wall = -0.491787441 Relative adsorption of ion 2 on left wall = -0.498500358 Relative adsorption of ion 2 on right wall = 0.608199517 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00543423699 Right electrode charge = -0.00543423699 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00122 Bulk concentration of Na = 0.99966 ________________________________________________________________________ Average electrode charge 1 = 0.00781726345 Average electrode charge 2 = -0.00781726345 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.396726 -0.566050 -0.566930 ________________________________________________________________________ Electrode charge exchange: 0.0634918907 Move Jump Cl: 0.93393 0.36974 Na: 0.93287 0.37064 ________________________________________________________________________ Create NaCl : 148726. / 405344. = 0.36691 Destroy NaCl : 148743. / 405179. = 0.36710 ________________________________________________________________________ Potential at left wall /kT = 1.25330958 Potential at right wall /kT = -1.28146259 ------------------------------------------------------------------------ Potential at left wall /mV = 32.3991045 Potential at right wall /mV = -33.1268834 ________________________________________________________________________ Capacitance of left DL = 0.030190539 Capacitance of right DL = 0.0295272699 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.54325253 Capacitance of right DL [F/m2] = 1.50934814 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23997582 Adsorption of ion 1 on right wall = -5.39007912 Adsorption of ion 2 on left wall = -5.38687277 Adsorption of ion 2 on right wall = 6.69352908 ------------------------------------------------------------------------ net charge in left DL = -11.6268486 8.1527407 net charge in right DL = 12.0836082 -8.1527407 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.76538382 Relative adsorption of ion 1 on right wall = -0.661137072 Relative adsorption of ion 2 on left wall = -0.660743788 Relative adsorption of ion 2 on right wall = 0.821015819 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0076563486 Right electrode charge = -0.0076563486 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00172 Bulk concentration of Na = 1.00008 ________________________________________________________________________ Average electrode charge 1 = 0.00781281497 Average electrode charge 2 = -0.00781281497 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397642 -0.566050 -0.567847 ________________________________________________________________________ Electrode charge exchange: 0.0635145879 Move Jump Cl: 0.93389 0.36966 Na: 0.93282 0.37068 ________________________________________________________________________ Create NaCl : 154216. / 420196. = 0.36701 Destroy NaCl : 154216. / 420036. = 0.36715 ________________________________________________________________________ Potential at left wall /kT = 1.27279591 Potential at right wall /kT = -1.30177815 ------------------------------------------------------------------------ Potential at left wall /mV = 32.9028425 Potential at right wall /mV = -33.6520576 ________________________________________________________________________ Capacitance of left DL = 0.0418845235 Capacitance of right DL = 0.0409520243 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.51962555 Capacitance of right DL [F/m2] = 1.48579325 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23139689 Adsorption of ion 1 on right wall = -5.38931502 Adsorption of ion 2 on left wall = -5.3896686 Adsorption of ion 2 on right wall = 6.71388854 ------------------------------------------------------------------------ net charge in left DL = -11.6210655 11.4864745 net charge in right DL = 12.1032036 -11.4864745 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.542498646 Relative adsorption of ion 1 on right wall = -0.469187913 Relative adsorption of ion 2 on left wall = -0.469218696 Relative adsorption of ion 2 on right wall = 0.584503846 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00841196357 Right electrode charge = -0.00841196357 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00152 Bulk concentration of Na = 0.99998 ________________________________________________________________________ Average electrode charge 1 = 0.00781579808 Average electrode charge 2 = -0.00781579808 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397345 -0.566050 -0.567549 ________________________________________________________________________ Electrode charge exchange: 0.0635014665 Move Jump Cl: 0.93396 0.36964 Na: 0.93291 0.37055 ________________________________________________________________________ Create NaCl : 159796. / 435158. = 0.36721 Destroy NaCl : 159810. / 435190. = 0.36722 ________________________________________________________________________ Potential at left wall /kT = 1.25162578 Potential at right wall /kT = -1.2818964 ------------------------------------------------------------------------ Potential at left wall /mV = 32.3555769 Potential at right wall /mV = -33.1380977 ________________________________________________________________________ Capacitance of left DL = 0.0467965174 Capacitance of right DL = 0.0456914677 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.54532865 Capacitance of right DL [F/m2] = 1.50883737 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.19090505 Adsorption of ion 1 on right wall = -5.37392598 Adsorption of ion 2 on left wall = -5.43511014 Adsorption of ion 2 on right wall = 6.70303124 ------------------------------------------------------------------------ net charge in left DL = -11.6260152 12.6200896 net charge in right DL = 12.0769572 -12.6200896 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490559516 Relative adsorption of ion 1 on right wall = -0.425823124 Relative adsorption of ion 2 on left wall = -0.43067128 Relative adsorption of ion 2 on right wall = 0.531139751 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00511587467 Right electrode charge = -0.00511587467 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00153 Bulk concentration of Na = 1.00004 ________________________________________________________________________ Average electrode charge 1 = 0.00780490921 Average electrode charge 2 = -0.00780490921 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397412 -0.566050 -0.567617 ________________________________________________________________________ Electrode charge exchange: 0.0635432582 Move Jump Cl: 0.93390 0.36953 Na: 0.93296 0.37044 ________________________________________________________________________ Create NaCl : 165341. / 450286. = 0.36719 Destroy NaCl : 165328. / 450229. = 0.36721 ________________________________________________________________________ Potential at left wall /kT = 1.25241858 Potential at right wall /kT = -1.28249929 ------------------------------------------------------------------------ Potential at left wall /mV = 32.3760714 Potential at right wall /mV = -33.1536828 ________________________________________________________________________ Capacitance of left DL = 0.0284420599 Capacitance of right DL = 0.0277749584 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.54435044 Capacitance of right DL [F/m2] = 1.50812808 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.19496564 Adsorption of ion 1 on right wall = -5.35045269 Adsorption of ion 2 on left wall = -5.42251053 Adsorption of ion 2 on right wall = 6.7027378 ------------------------------------------------------------------------ net charge in left DL = -11.6174762 7.67511607 net charge in right DL = 12.0531905 -7.67511607 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.80714944 Relative adsorption of ion 1 on right wall = -0.697116844 Relative adsorption of ion 2 on left wall = -0.706505346 Relative adsorption of ion 2 on right wall = 0.873307679 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00737131142 Right electrode charge = -0.00737131142 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00117 Bulk concentration of Na = 0.99973 ________________________________________________________________________ Average electrode charge 1 = 0.00779547775 Average electrode charge 2 = -0.00779547775 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.396746 -0.566050 -0.566951 ________________________________________________________________________ Electrode charge exchange: 0.063523045 Move Jump Cl: 0.93392 0.36944 Na: 0.93284 0.37034 ________________________________________________________________________ Create NaCl : 170779. / 465290. = 0.36704 Destroy NaCl : 170797. / 465160. = 0.36718 ________________________________________________________________________ Potential at left wall /kT = 1.25892561 Potential at right wall /kT = -1.28629893 ------------------------------------------------------------------------ Potential at left wall /mV = 32.5442836 Potential at right wall /mV = -33.2519068 ________________________________________________________________________ Capacitance of left DL = 0.040769496 Capacitance of right DL = 0.0399018933 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.53636813 Capacitance of right DL [F/m2] = 1.50367317 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24992353 Adsorption of ion 1 on right wall = -5.31710228 Adsorption of ion 2 on left wall = -5.36404908 Adsorption of ion 2 on right wall = 6.71808641 ------------------------------------------------------------------------ net charge in left DL = -11.6139726 11.0588461 net charge in right DL = 12.0351887 -11.0588461 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.565151506 Relative adsorption of ion 1 on right wall = -0.48080082 Relative adsorption of ion 2 on left wall = -0.485046001 Relative adsorption of ion 2 on right wall = 0.607485297 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00907497405 Right electrode charge = -0.00907497405 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00163 Bulk concentration of Na = 1.00019 ________________________________________________________________________ Average electrode charge 1 = 0.00780738929 Average electrode charge 2 = -0.00780738929 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397663 -0.566050 -0.567868 ________________________________________________________________________ Electrode charge exchange: 0.0635189511 Move Jump Cl: 0.93395 0.36950 Na: 0.93268 0.37031 ________________________________________________________________________ Create NaCl : 176271. / 480311. = 0.36699 Destroy NaCl : 176271. / 480235. = 0.36705 ________________________________________________________________________ Potential at left wall /kT = 1.2434373 Potential at right wall /kT = -1.26283185 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1438977 Potential at right wall /mV = -32.6452631 ________________________________________________________________________ Capacitance of left DL = 0.0508173664 Capacitance of right DL = 0.050036914 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.5555052 Capacitance of right DL [F/m2] = 1.53161578 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.12368967 Adsorption of ion 1 on right wall = -5.42868897 Adsorption of ion 2 on left wall = -5.49286413 Adsorption of ion 2 on right wall = 6.6101739 ------------------------------------------------------------------------ net charge in left DL = -11.6165538 13.6147743 net charge in right DL = 12.0388629 -13.6147743 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.449782679 Relative adsorption of ion 1 on right wall = -0.398735142 Relative adsorption of ion 2 on left wall = -0.403448783 Relative adsorption of ion 2 on right wall = 0.485514761 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00685584373 Right electrode charge = -0.00685584373 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00133 Bulk concentration of Na = 1.00001 ________________________________________________________________________ Average electrode charge 1 = 0.00782820871 Average electrode charge 2 = -0.00782820871 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397181 -0.566050 -0.567386 ________________________________________________________________________ Electrode charge exchange: 0.0635732581 Move Jump Cl: 0.93404 0.36965 Na: 0.93287 0.37037 ________________________________________________________________________ Create NaCl : 181756. / 495210. = 0.36703 Destroy NaCl : 181780. / 495334. = 0.36698 ________________________________________________________________________ Potential at left wall /kT = 1.26001524 Potential at right wall /kT = -1.27751441 ------------------------------------------------------------------------ Potential at left wall /mV = 32.5724515 Potential at right wall /mV = -33.0248195 ________________________________________________________________________ Capacitance of left DL = 0.037885739 Capacitance of right DL = 0.037366787 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.53503951 Capacitance of right DL [F/m2] = 1.51401282 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.16454492 Adsorption of ion 1 on right wall = -5.47956013 Adsorption of ion 2 on left wall = -5.50950979 Adsorption of ion 2 on right wall = 6.58270738 ------------------------------------------------------------------------ net charge in left DL = -11.6740547 10.2855132 net charge in right DL = 12.0622675 -10.2855132 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.599342474 Relative adsorption of ion 1 on right wall = -0.532745429 Relative adsorption of ion 2 on left wall = -0.535657258 Relative adsorption of ion 2 on right wall = 0.639997953 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00912337302 Right electrode charge = -0.00912337302 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00182 Bulk concentration of Na = 1.00030 ________________________________________________________________________ Average electrode charge 1 = 0.00783048271 Average electrode charge 2 = -0.00783048271 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397967 -0.566050 -0.568172 ________________________________________________________________________ Electrode charge exchange: 0.0635540401 Move Jump Cl: 0.93415 0.36965 Na: 0.93294 0.37037 ________________________________________________________________________ Create NaCl : 187285. / 510262. = 0.36704 Destroy NaCl : 187290. / 510231. = 0.36707 ________________________________________________________________________ Potential at left wall /kT = 1.25725966 Potential at right wall /kT = -1.27462805 ------------------------------------------------------------------------ Potential at left wall /mV = 32.5012172 Potential at right wall /mV = -32.9502048 ________________________________________________________________________ Capacitance of left DL = 0.0505267199 Capacitance of right DL = 0.0498382302 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.53840392 Capacitance of right DL [F/m2] = 1.51744125 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.12813954 Adsorption of ion 1 on right wall = -5.50289379 Adsorption of ion 2 on left wall = -5.51951807 Adsorption of ion 2 on right wall = 6.59045252 ------------------------------------------------------------------------ net charge in left DL = -11.6476576 13.6873851 net charge in right DL = 12.0933463 -13.6873851 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.447721715 Relative adsorption of ion 1 on right wall = -0.402041277 Relative adsorption of ion 2 on left wall = -0.403255846 Relative adsorption of ion 2 on right wall = 0.481498289 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0106854077 Right electrode charge = -0.0106854077 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00207 Bulk concentration of Na = 1.00061 ________________________________________________________________________ Average electrode charge 1 = 0.00783593606 Average electrode charge 2 = -0.00783593606 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.398526 -0.566050 -0.568731 ________________________________________________________________________ Electrode charge exchange: 0.0635641169 Move Jump Cl: 0.93424 0.36962 Na: 0.93306 0.37015 ________________________________________________________________________ Create NaCl : 192810. / 525310. = 0.36704 Destroy NaCl : 192805. / 525250. = 0.36707 ________________________________________________________________________ Potential at left wall /kT = 1.29142893 Potential at right wall /kT = -1.30524086 ------------------------------------------------------------------------ Potential at left wall /mV = 33.3845217 Potential at right wall /mV = -33.7415715 ________________________________________________________________________ Capacitance of left DL = 0.0576117725 Capacitance of right DL = 0.0570021306 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.49770006 Capacitance of right DL [F/m2] = 1.48185155 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.17511016 Adsorption of ion 1 on right wall = -5.59493888 Adsorption of ion 2 on left wall = -5.51245287 Adsorption of ion 2 on right wall = 6.51905999 ------------------------------------------------------------------------ net charge in left DL = -11.687563 16.0308353 net charge in right DL = 12.1139989 -16.0308353 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.385202022 Relative adsorption of ion 1 on right wall = -0.349011065 Relative adsorption of ion 2 on left wall = -0.343865605 Relative adsorption of ion 2 on right wall = 0.406657537 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00831301707 Right electrode charge = -0.00831301707 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00174 Bulk concentration of Na = 1.00026 ________________________________________________________________________ Average electrode charge 1 = 0.00783559042 Average electrode charge 2 = -0.00783559042 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397842 -0.566050 -0.568047 ________________________________________________________________________ Electrode charge exchange: 0.0635286118 Move Jump Cl: 0.93427 0.36959 Na: 0.93320 0.37027 ________________________________________________________________________ Create NaCl : 198275. / 540157. = 0.36707 Destroy NaCl : 198282. / 540267. = 0.36701 ________________________________________________________________________ Potential at left wall /kT = 1.30214194 Potential at right wall /kT = -1.31705793 ------------------------------------------------------------------------ Potential at left wall /mV = 33.6614618 Potential at right wall /mV = -34.0470528 ________________________________________________________________________ Capacitance of left DL = 0.0444519686 Capacitance of right DL = 0.0439485395 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.48537815 Capacitance of right DL [F/m2] = 1.46855589 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.22445182 Adsorption of ion 1 on right wall = -5.57956577 Adsorption of ion 2 on left wall = -5.46898128 Adsorption of ion 2 on right wall = 6.5456752 ------------------------------------------------------------------------ net charge in left DL = -11.6934331 12.4716446 net charge in right DL = 12.125241 -12.4716446 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.499088292 Relative adsorption of ion 1 on right wall = -0.447380112 Relative adsorption of ion 2 on left wall = -0.438513239 Relative adsorption of ion 2 on right wall = 0.524844589 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00889725703 Right electrode charge = -0.00889725703 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00127 Bulk concentration of Na = 0.99997 ________________________________________________________________________ Average electrode charge 1 = 0.00784528635 Average electrode charge 2 = -0.00784528635 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397084 -0.566050 -0.567288 ________________________________________________________________________ Electrode charge exchange: 0.0635065373 Move Jump Cl: 0.93427 0.36978 Na: 0.93312 0.37024 ________________________________________________________________________ Create NaCl : 203739. / 555073. = 0.36705 Destroy NaCl : 203752. / 555327. = 0.36690 ________________________________________________________________________ Potential at left wall /kT = 1.31065528 Potential at right wall /kT = -1.32493858 ------------------------------------------------------------------------ Potential at left wall /mV = 33.881539 Potential at right wall /mV = -34.2507742 ________________________________________________________________________ Capacitance of left DL = 0.0472670292 Capacitance of right DL = 0.0467574742 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.4757299 Capacitance of right DL [F/m2] = 1.45982102 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23803924 Adsorption of ion 1 on right wall = -5.58237203 Adsorption of ion 2 on left wall = -5.50033045 Adsorption of ion 2 on right wall = 6.53659883 ------------------------------------------------------------------------ net charge in left DL = -11.7383697 13.3481535 net charge in right DL = 12.1189709 -13.3481535 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.467333496 Relative adsorption of ion 1 on right wall = -0.418213053 Relative adsorption of ion 2 on left wall = -0.412066767 Relative adsorption of ion 2 on right wall = 0.489700604 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00773164219 Right electrode charge = -0.00773164219 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00133 Bulk concentration of Na = 0.99989 ________________________________________________________________________ Average electrode charge 1 = 0.00783937039 Average electrode charge 2 = -0.00783937039 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397064 -0.566050 -0.567268 ________________________________________________________________________ Electrode charge exchange: 0.0635277987 Move Jump Cl: 0.93427 0.36969 Na: 0.93320 0.37019 ________________________________________________________________________ Create NaCl : 209288. / 570193. = 0.36705 Destroy NaCl : 209291. / 570270. = 0.36700 ________________________________________________________________________ Potential at left wall /kT = 1.31344301 Potential at right wall /kT = -1.32776852 ------------------------------------------------------------------------ Potential at left wall /mV = 33.953604 Potential at right wall /mV = -34.3239305 ________________________________________________________________________ Capacitance of left DL = 0.0409874753 Capacitance of right DL = 0.0405452546 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.47259773 Capacitance of right DL [F/m2] = 1.45670963 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.17807813 Adsorption of ion 1 on right wall = -5.60281616 Adsorption of ion 2 on left wall = -5.53268026 Adsorption of ion 2 on right wall = 6.53026404 ------------------------------------------------------------------------ net charge in left DL = -11.7107584 11.5994341 net charge in right DL = 12.1330802 -11.5994341 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.532618926 Relative adsorption of ion 1 on right wall = -0.483024957 Relative adsorption of ion 2 on left wall = -0.476978463 Relative adsorption of ion 2 on right wall = 0.562981261 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00942221761 Right electrode charge = -0.00942221761 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00132 Bulk concentration of Na = 0.99989 ________________________________________________________________________ Average electrode charge 1 = 0.00784311122 Average electrode charge 2 = -0.00784311122 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397049 -0.566050 -0.567254 ________________________________________________________________________ Electrode charge exchange: 0.0635098677 Move Jump Cl: 0.93423 0.36968 Na: 0.93315 0.37009 ________________________________________________________________________ Create NaCl : 214790. / 585244. = 0.36701 Destroy NaCl : 214778. / 585100. = 0.36708 ________________________________________________________________________ Potential at left wall /kT = 1.28951452 Potential at right wall /kT = -1.30373378 ------------------------------------------------------------------------ Potential at left wall /mV = 33.3350326 Potential at right wall /mV = -33.7026124 ________________________________________________________________________ Capacitance of left DL = 0.0508765374 Capacitance of right DL = 0.0503216489 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.49992354 Capacitance of right DL [F/m2] = 1.48356452 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.13659484 Adsorption of ion 1 on right wall = -5.4824026 Adsorption of ion 2 on left wall = -5.564561 Adsorption of ion 2 on right wall = 6.63610908 ------------------------------------------------------------------------ net charge in left DL = -11.7011558 14.1357282 net charge in right DL = 12.1185117 -14.1357282 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.434119471 Relative adsorption of ion 1 on right wall = -0.387840126 Relative adsorption of ion 2 on left wall = -0.393652236 Relative adsorption of ion 2 on right wall = 0.469456472 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.007978157 Right electrode charge = -0.007978157 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00160 Bulk concentration of Na = 0.99996 ________________________________________________________________________ Average electrode charge 1 = 0.00782551436 Average electrode charge 2 = -0.00782551436 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.395845 -15.397402 -0.566050 -0.567606 ________________________________________________________________________ Electrode charge exchange: 0.0634666334 Move Jump Cl: 0.93420 0.36980 Na: 0.93317 0.37018 ________________________________________________________________________ Create NaCl : 220297. / 600325. = 0.36696 Destroy NaCl : 220289. / 600046. = 0.36712 ________________________________________________________________________ Potential at left wall /kT = 1.26004014 Potential at right wall /kT = -1.2739714 ------------------------------------------------------------------------ Potential at left wall /mV = 32.573095 Potential at right wall /mV = -32.9332299 ________________________________________________________________________ Capacitance of left DL = 0.0440868279 Capacitance of right DL = 0.0436047249 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.53500919 Capacitance of right DL [F/m2] = 1.51822339 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.12225831 Adsorption of ion 1 on right wall = -5.50041919 Adsorption of ion 2 on left wall = -5.50206862 Adsorption of ion 2 on right wall = 6.60200638 ------------------------------------------------------------------------ net charge in left DL = -11.6243269 11.9692692 net charge in right DL = 12.1024256 -11.9692692 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.51149809 Relative adsorption of ion 1 on right wall = -0.459545116 Relative adsorption of ion 2 on left wall = -0.459682922 Relative adsorption of ion 2 on right wall = 0.55157974 ________________________________________________________________________ End of iteration 3 ======================================================================== 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 12.3542364 net charge on right wall /e = -12.3542364 net charge on walls /e (starting) = 0. Initial sigma = 0.00823475823 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 4 1 1. 0.999962707 1 -15.3958451 -15.3974018 1 -1.06 -0.567606438 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 4 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.006899667 Right electrode charge = -0.006899667 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00052 Bulk concentration of Na = 1.00389 ________________________________________________________________________ Average electrode charge 1 = 0.00805647198 Average electrode charge 2 = -0.00805647198 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.401805 -0.567606 -0.572009 ________________________________________________________________________ Electrode charge exchange: 0.0634412951 Move Jump Cl: 0.93216 0.36469 Na: 0.93621 0.36774 ________________________________________________________________________ Create NaCl : 5584. / 14954. = 0.37341 Destroy NaCl : 5594. / 15063. = 0.37137 ________________________________________________________________________ Potential at left wall /kT = 1.12387814 Potential at right wall /kT = -1.0893395 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0531932 Potential at right wall /mV = -28.1603403 ________________________________________________________________________ Capacitance of left DL = 0.0427464012 Capacitance of right DL = 0.0441017203 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.72098122 Capacitance of right DL [F/m2] = 1.77554672 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.56903296 Adsorption of ion 1 on right wall = -7.10495038 Adsorption of ion 2 on left wall = -8.00274559 Adsorption of ion 2 on right wall = 4.48237108 ------------------------------------------------------------------------ net charge in left DL = -12.5717785 10.3512592 net charge in right DL = 11.5873215 -10.3512592 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.441398756 Relative adsorption of ion 1 on right wall = -0.686385125 Relative adsorption of ion 2 on left wall = -0.773118072 Relative adsorption of ion 2 on right wall = 0.433026646 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102070664 Right electrode charge = -0.0102070664 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99578 Bulk concentration of Na = 0.99929 ________________________________________________________________________ Average electrode charge 1 = 0.00791309845 Average electrode charge 2 = -0.00791309845 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.392466 -0.567606 -0.562671 ________________________________________________________________________ Electrode charge exchange: 0.0635001835 Move Jump Cl: 0.93310 0.36573 Na: 0.93348 0.36974 ________________________________________________________________________ Create NaCl : 11070. / 29766. = 0.37190 Destroy NaCl : 11077. / 30052. = 0.36859 ________________________________________________________________________ Potential at left wall /kT = 1.34041003 Potential at right wall /kT = -1.33860973 ------------------------------------------------------------------------ Potential at left wall /mV = 34.6507243 Potential at right wall /mV = -34.6041848 ________________________________________________________________________ Capacitance of left DL = 0.0530217336 Capacitance of right DL = 0.0530930431 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.44297128 Capacitance of right DL [F/m2] = 1.44491195 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.1390982 Adsorption of ion 1 on right wall = -4.17758513 Adsorption of ion 2 on left wall = -6.42324099 Adsorption of ion 2 on right wall = 7.35817568 ------------------------------------------------------------------------ net charge in left DL = -12.5623392 15.3132015 net charge in right DL = 11.5357608 -15.3132015 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.400902334 Relative adsorption of ion 1 on right wall = -0.272809389 Relative adsorption of ion 2 on left wall = -0.419457747 Relative adsorption of ion 2 on right wall = 0.480511909 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00462857914 Right electrode charge = -0.00462857914 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 314 -1.00 3.0000 1.5000 Na ion: 314 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99852 Bulk concentration of Na = 1.00134 ________________________________________________________________________ Average electrode charge 1 = 0.00811896724 Average electrode charge 2 = -0.00811896724 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.397259 -0.567606 -0.567464 ________________________________________________________________________ Electrode charge exchange: 0.0634510623 Move Jump Cl: 0.93560 0.36512 Na: 0.93404 0.37096 ________________________________________________________________________ Create NaCl : 16547. / 44894. = 0.36858 Destroy NaCl : 16533. / 45022. = 0.36722 ________________________________________________________________________ Potential at left wall /kT = 0.809442869 Potential at right wall /kT = -0.782570307 ------------------------------------------------------------------------ Potential at left wall /mV = 20.9247774 Potential at right wall /mV = -20.2300992 ________________________________________________________________________ Capacitance of left DL = 0.0398154973 Capacitance of right DL = 0.0411827156 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.38951168 Capacitance of right DL [F/m2] = 2.47156475 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.73052717 Adsorption of ion 1 on right wall = -4.00440616 Adsorption of ion 2 on left wall = -5.64261542 Adsorption of ion 2 on right wall = 7.54511792 ------------------------------------------------------------------------ net charge in left DL = -12.3731426 6.94404855 net charge in right DL = 11.5495241 -6.94404855 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.969251169 Relative adsorption of ion 1 on right wall = -0.576667363 Relative adsorption of ion 2 on left wall = -0.812582945 Relative adsorption of ion 2 on right wall = 1.08655892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00728293198 Right electrode charge = -0.00728293198 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00024 Bulk concentration of Na = 1.00247 ________________________________________________________________________ Average electrode charge 1 = 0.00804948111 Average electrode charge 2 = -0.00804948111 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.400109 -0.567606 -0.570314 ________________________________________________________________________ Electrode charge exchange: 0.0634548048 Move Jump Cl: 0.93476 0.36519 Na: 0.93287 0.37235 ________________________________________________________________________ Create NaCl : 22072. / 60162. = 0.36688 Destroy NaCl : 22069. / 59987. = 0.36790 ________________________________________________________________________ Potential at left wall /kT = 0.785356043 Potential at right wall /kT = -0.756986921 ------------------------------------------------------------------------ Potential at left wall /mV = 20.3021128 Potential at right wall /mV = -19.5687472 ________________________________________________________________________ Capacitance of left DL = 0.0645699302 Capacitance of right DL = 0.0669897768 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.46279787 Capacitance of right DL [F/m2] = 2.55509459 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.27481341 Adsorption of ion 1 on right wall = -3.34789492 Adsorption of ion 2 on left wall = -5.89349688 Adsorption of ion 2 on right wall = 8.16953646 ------------------------------------------------------------------------ net charge in left DL = -12.1683103 10.9262544 net charge in right DL = 11.5174314 -10.9262544 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.57428769 Relative adsorption of ion 1 on right wall = -0.306408289 Relative adsorption of ion 2 on left wall = -0.539388582 Relative adsorption of ion 2 on right wall = 0.747697806 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00699580497 Right electrode charge = -0.00699580497 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99767 Bulk concentration of Na = 1.00038 ________________________________________________________________________ Average electrode charge 1 = 0.00799775976 Average electrode charge 2 = -0.00799775976 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.395453 -0.567606 -0.565657 ________________________________________________________________________ Electrode charge exchange: 0.0634355732 Move Jump Cl: 0.93482 0.36527 Na: 0.93323 0.37269 ________________________________________________________________________ Create NaCl : 27433. / 74956. = 0.36599 Destroy NaCl : 27446. / 74944. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 0.82649086 Potential at right wall /kT = -0.806476251 ------------------------------------------------------------------------ Potential at left wall /mV = 21.3654823 Potential at right wall /mV = -20.8480879 ________________________________________________________________________ Capacitance of left DL = 0.0589373074 Capacitance of right DL = 0.0603999756 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.34022332 Capacitance of right DL [F/m2] = 2.39830148 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46451964 Adsorption of ion 1 on right wall = -3.32301036 Adsorption of ion 2 on left wall = -5.73405126 Adsorption of ion 2 on right wall = 8.08101207 ------------------------------------------------------------------------ net charge in left DL = -12.1985709 10.4954907 net charge in right DL = 11.4040224 -10.4954907 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.615933053 Relative adsorption of ion 1 on right wall = -0.316613149 Relative adsorption of ion 2 on left wall = -0.546334747 Relative adsorption of ion 2 on right wall = 0.769950857 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0082647145 Right electrode charge = -0.0082647145 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99970 Bulk concentration of Na = 1.00186 ________________________________________________________________________ Average electrode charge 1 = 0.00788483581 Average electrode charge 2 = -0.00788483581 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.398960 -0.567606 -0.569164 ________________________________________________________________________ Electrode charge exchange: 0.0634280356 Move Jump Cl: 0.93548 0.36644 Na: 0.93322 0.37200 ________________________________________________________________________ Create NaCl : 32840. / 89808. = 0.36567 Destroy NaCl : 32860. / 89956. = 0.36529 ________________________________________________________________________ Potential at left wall /kT = 0.875281579 Potential at right wall /kT = -0.878644022 ------------------------------------------------------------------------ Potential at left wall /mV = 22.6267634 Potential at right wall /mV = -22.7136853 ________________________________________________________________________ Capacitance of left DL = 0.0657462096 Capacitance of right DL = 0.0654946084 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.20977253 Capacitance of right DL [F/m2] = 2.20131605 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.02852487 Adsorption of ion 1 on right wall = -3.9428279 Adsorption of ion 2 on left wall = -5.9660238 Adsorption of ion 2 on right wall = 7.42127342 ------------------------------------------------------------------------ net charge in left DL = -11.9945487 12.3991785 net charge in right DL = 11.3641013 -12.3991785 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.486203573 Relative adsorption of ion 1 on right wall = -0.31799106 Relative adsorption of ion 2 on left wall = -0.48116283 Relative adsorption of ion 2 on right wall = 0.598529447 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00794509983 Right electrode charge = -0.00794509983 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00235 Bulk concentration of Na = 1.00450 ________________________________________________________________________ Average electrode charge 1 = 0.00800577806 Average electrode charge 2 = -0.00800577806 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.404246 -0.567606 -0.574451 ________________________________________________________________________ Electrode charge exchange: 0.0633843969 Move Jump Cl: 0.93511 0.36546 Na: 0.93337 0.37122 ________________________________________________________________________ Create NaCl : 38285. / 104853. = 0.36513 Destroy NaCl : 38280. / 104825. = 0.36518 ________________________________________________________________________ Potential at left wall /kT = 1.08808663 Potential at right wall /kT = -1.06974832 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1279526 Potential at right wall /mV = -27.6538918 ________________________________________________________________________ Capacitance of left DL = 0.0508424577 Capacitance of right DL = 0.0517140318 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.77759116 Capacitance of right DL [F/m2] = 1.80806377 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46058855 Adsorption of ion 1 on right wall = -4.38860907 Adsorption of ion 2 on left wall = -5.86028298 Adsorption of ion 2 on right wall = 7.30190035 ------------------------------------------------------------------------ net charge in left DL = -12.3208715 11.919675 net charge in right DL = 11.6905094 -11.919675 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.542010462 Relative adsorption of ion 1 on right wall = -0.36818194 Relative adsorption of ion 2 on left wall = -0.491647884 Relative adsorption of ion 2 on right wall = 0.612592236 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00803645583 Right electrode charge = -0.00803645583 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00048 Bulk concentration of Na = 1.00199 ________________________________________________________________________ Average electrode charge 1 = 0.00799860857 Average electrode charge 2 = -0.00799860857 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.399869 -0.567606 -0.570074 ________________________________________________________________________ Electrode charge exchange: 0.0634164161 Move Jump Cl: 0.93521 0.36522 Na: 0.93292 0.37068 ________________________________________________________________________ Create NaCl : 43780. / 119669. = 0.36584 Destroy NaCl : 43770. / 119938. = 0.36494 ________________________________________________________________________ Potential at left wall /kT = 1.08691 Potential at right wall /kT = -1.08988075 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0975356 Potential at right wall /mV = -28.1743321 ________________________________________________________________________ Capacitance of left DL = 0.0514827373 Capacitance of right DL = 0.0513424078 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.77951549 Capacitance of right DL [F/m2] = 1.77466496 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.34658172 Adsorption of ion 1 on right wall = -4.16964537 Adsorption of ion 2 on left wall = -5.87285756 Adsorption of ion 2 on right wall = 7.60823619 ------------------------------------------------------------------------ net charge in left DL = -12.2194393 12.0567323 net charge in right DL = 11.7778816 -12.0567323 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.526393186 Relative adsorption of ion 1 on right wall = -0.345835445 Relative adsorption of ion 2 on left wall = -0.48710193 Relative adsorption of ion 2 on right wall = 0.631036339 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00864381178 Right electrode charge = -0.00864381178 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00197 Bulk concentration of Na = 1.00418 ________________________________________________________________________ Average electrode charge 1 = 0.00801026263 Average electrode charge 2 = -0.00801026263 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.403540 -0.567606 -0.573744 ________________________________________________________________________ Electrode charge exchange: 0.0634282633 Move Jump Cl: 0.93497 0.36615 Na: 0.93344 0.37090 ________________________________________________________________________ Create NaCl : 49240. / 134662. = 0.36566 Destroy NaCl : 49246. / 134890. = 0.36508 ________________________________________________________________________ Potential at left wall /kT = 1.09844211 Potential at right wall /kT = -1.09767717 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3956504 Potential at right wall /mV = -28.375876 ________________________________________________________________________ Capacitance of left DL = 0.0547922052 Capacitance of right DL = 0.0548303885 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.76083306 Capacitance of right DL [F/m2] = 1.76206014 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.08784159 Adsorption of ion 1 on right wall = -4.23551952 Adsorption of ion 2 on left wall = -6.25916327 Adsorption of ion 2 on right wall = 7.46296821 ------------------------------------------------------------------------ net charge in left DL = -12.3470049 12.967921 net charge in right DL = 11.6984877 -12.967921 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.469453938 Relative adsorption of ion 1 on right wall = -0.326615154 Relative adsorption of ion 2 on left wall = -0.482665129 Relative adsorption of ion 2 on right wall = 0.575494576 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00870805593 Right electrode charge = -0.00870805593 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 332 -1.00 3.0000 1.5000 Na ion: 332 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00249 Bulk concentration of Na = 1.00422 ________________________________________________________________________ Average electrode charge 1 = 0.00800422778 Average electrode charge 2 = -0.00800422778 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.404096 -0.567606 -0.574301 ________________________________________________________________________ Electrode charge exchange: 0.0633816519 Move Jump Cl: 0.93495 0.36561 Na: 0.93366 0.37056 ________________________________________________________________________ Create NaCl : 54732. / 149666. = 0.36569 Destroy NaCl : 54700. / 149979. = 0.36472 ________________________________________________________________________ Potential at left wall /kT = 1.05717969 Potential at right wall /kT = -1.04542338 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3289822 Potential at right wall /mV = -27.0250717 ________________________________________________________________________ Capacitance of left DL = 0.0573539126 Capacitance of right DL = 0.0579988862 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82955953 Capacitance of right DL [F/m2] = 1.85013385 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.32135585 Adsorption of ion 1 on right wall = -4.43818748 Adsorption of ion 2 on left wall = -5.91100222 Adsorption of ion 2 on right wall = 7.28655778 ------------------------------------------------------------------------ net charge in left DL = -12.2323581 13.0643036 net charge in right DL = 11.7247453 -13.0643036 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.483864738 Relative adsorption of ion 1 on right wall = -0.339718642 Relative adsorption of ion 2 on left wall = -0.452454443 Relative adsorption of ion 2 on right wall = 0.557745593 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00599142015 Right electrode charge = -0.00599142015 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00183 Bulk concentration of Na = 1.00364 ________________________________________________________________________ Average electrode charge 1 = 0.00796398665 Average electrode charge 2 = -0.00796398665 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.402868 -0.567606 -0.573073 ________________________________________________________________________ Electrode charge exchange: 0.0633733575 Move Jump Cl: 0.93505 0.36590 Na: 0.93370 0.37068 ________________________________________________________________________ Create NaCl : 60185. / 164568. = 0.36572 Destroy NaCl : 60204. / 164872. = 0.36516 ________________________________________________________________________ Potential at left wall /kT = 0.981899038 Potential at right wall /kT = -0.962486005 ------------------------------------------------------------------------ Potential at left wall /mV = 25.3829141 Potential at right wall /mV = -24.8810709 ________________________________________________________________________ Capacitance of left DL = 0.0424867581 Capacitance of right DL = 0.0433437023 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.96982899 Capacitance of right DL [F/m2] = 2.0095598 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.31482247 Adsorption of ion 1 on right wall = -4.52406844 Adsorption of ion 2 on left wall = -5.81137958 Adsorption of ion 2 on right wall = 7.07211436 ------------------------------------------------------------------------ net charge in left DL = -12.126202 8.98865747 net charge in right DL = 11.5961828 -8.98865747 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.702532329 Relative adsorption of ion 1 on right wall = -0.503308582 Relative adsorption of ion 2 on left wall = -0.646523643 Relative adsorption of ion 2 on right wall = 0.786782051 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0112727883 Right electrode charge = -0.0112727883 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00135 Bulk concentration of Na = 1.00329 ________________________________________________________________________ Average electrode charge 1 = 0.00793852065 Average electrode charge 2 = -0.00793852065 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.402039 -0.567606 -0.572244 ________________________________________________________________________ Electrode charge exchange: 0.0633651184 Move Jump Cl: 0.93521 0.36596 Na: 0.93368 0.37065 ________________________________________________________________________ Create NaCl : 65683. / 179523. = 0.36588 Destroy NaCl : 65670. / 179845. = 0.36515 ________________________________________________________________________ Potential at left wall /kT = 1.04846908 Potential at right wall /kT = -1.02862262 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1038056 Potential at right wall /mV = -26.5907579 ________________________________________________________________________ Capacitance of left DL = 0.0748628536 Capacitance of right DL = 0.0763072732 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.8447594 Capacitance of right DL [F/m2] = 1.88035257 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41689767 Adsorption of ion 1 on right wall = -4.72954261 Adsorption of ion 2 on left wall = -5.73850929 Adsorption of ion 2 on right wall = 6.85592265 ------------------------------------------------------------------------ net charge in left DL = -12.155407 16.912056 net charge in right DL = 11.5854653 -16.912056 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.379427415 Relative adsorption of ion 1 on right wall = -0.279655094 Relative adsorption of ion 2 on left wall = -0.339314706 Relative adsorption of ion 2 on right wall = 0.405386706 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00711945468 Right electrode charge = -0.00711945468 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 263 -1.00 3.0000 1.5000 Na ion: 263 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00091 Bulk concentration of Na = 1.00252 ________________________________________________________________________ Average electrode charge 1 = 0.00794923651 Average electrode charge 2 = -0.00794923651 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.400832 -0.567606 -0.571036 ________________________________________________________________________ Electrode charge exchange: 0.063350879 Move Jump Cl: 0.93496 0.36609 Na: 0.93368 0.37072 ________________________________________________________________________ Create NaCl : 71207. / 194506. = 0.36609 Destroy NaCl : 71244. / 194988. = 0.36538 ________________________________________________________________________ Potential at left wall /kT = 1.0571111 Potential at right wall /kT = -1.03310583 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3272091 Potential at right wall /mV = -26.7066527 ________________________________________________________________________ Capacitance of left DL = 0.0468939428 Capacitance of right DL = 0.0479835714 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82967825 Capacitance of right DL [F/m2] = 1.87219269 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56362074 Adsorption of ion 1 on right wall = -4.72580106 Adsorption of ion 2 on left wall = -5.5650119 Adsorption of ion 2 on right wall = 6.93179195 ------------------------------------------------------------------------ net charge in left DL = -12.1286326 10.6809968 net charge in right DL = 11.657593 -10.6809968 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.614513875 Relative adsorption of ion 1 on right wall = -0.44244944 Relative adsorption of ion 2 on left wall = -0.521019901 Relative adsorption of ion 2 on right wall = 0.648983618 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00798776631 Right electrode charge = -0.00798776631 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00104 Bulk concentration of Na = 1.00230 ________________________________________________________________________ Average electrode charge 1 = 0.00793860243 Average electrode charge 2 = -0.00793860243 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.400737 -0.567606 -0.570942 ________________________________________________________________________ Electrode charge exchange: 0.0633433023 Move Jump Cl: 0.93496 0.36569 Na: 0.93427 0.37011 ________________________________________________________________________ Create NaCl : 76600. / 209554. = 0.36554 Destroy NaCl : 76618. / 209943. = 0.36495 ________________________________________________________________________ Potential at left wall /kT = 1.08075459 Potential at right wall /kT = -1.0589953 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9384131 Potential at right wall /mV = -27.3759173 ________________________________________________________________________ Capacitance of left DL = 0.0514622672 Capacitance of right DL = 0.0525196677 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.78965068 Capacitance of right DL [F/m2] = 1.82642282 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59367727 Adsorption of ion 1 on right wall = -4.65853583 Adsorption of ion 2 on left wall = -5.48577463 Adsorption of ion 2 on right wall = 7.0535337 ------------------------------------------------------------------------ net charge in left DL = -12.0794519 11.9836856 net charge in right DL = 11.7120695 -11.9836856 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55022115 Relative adsorption of ion 1 on right wall = -0.388739824 Relative adsorption of ion 2 on left wall = -0.45777024 Relative adsorption of ion 2 on right wall = 0.58859469 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0053882845 Right electrode charge = -0.0053882845 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00045 Bulk concentration of Na = 1.00179 ________________________________________________________________________ Average electrode charge 1 = 0.00794255965 Average electrode charge 2 = -0.00794255965 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.399646 -0.567606 -0.569851 ________________________________________________________________________ Electrode charge exchange: 0.0633648989 Move Jump Cl: 0.93517 0.36635 Na: 0.93425 0.37006 ________________________________________________________________________ Create NaCl : 82131. / 224545. = 0.36577 Destroy NaCl : 82127. / 224942. = 0.36510 ________________________________________________________________________ Potential at left wall /kT = 1.08309298 Potential at right wall /kT = -1.0657795 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9988624 Potential at right wall /mV = -27.5512944 ________________________________________________________________________ Capacitance of left DL = 0.0346398044 Capacitance of right DL = 0.0352025245 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.78578684 Capacitance of right DL [F/m2] = 1.81479677 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58517894 Adsorption of ion 1 on right wall = -4.73225883 Adsorption of ion 2 on left wall = -5.51577335 Adsorption of ion 2 on right wall = 6.97516443 ------------------------------------------------------------------------ net charge in left DL = -12.1009523 8.08380024 net charge in right DL = 11.7074233 -8.08380024 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.814614259 Relative adsorption of ion 1 on right wall = -0.585400269 Relative adsorption of ion 2 on left wall = -0.682324301 Relative adsorption of ion 2 on right wall = 0.862857099 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00948748947 Right electrode charge = -0.00948748947 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00055 Bulk concentration of Na = 1.00187 ________________________________________________________________________ Average electrode charge 1 = 0.00792540197 Average electrode charge 2 = -0.00792540197 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.399821 -0.567606 -0.570026 ________________________________________________________________________ Electrode charge exchange: 0.063389468 Move Jump Cl: 0.93516 0.36646 Na: 0.93428 0.36981 ________________________________________________________________________ Create NaCl : 87744. / 239769. = 0.36595 Destroy NaCl : 87743. / 240052. = 0.36552 ________________________________________________________________________ Potential at left wall /kT = 1.01098308 Potential at right wall /kT = -0.995646957 ------------------------------------------------------------------------ Potential at left wall /mV = 26.1347611 Potential at right wall /mV = -25.7383094 ________________________________________________________________________ Capacitance of left DL = 0.0653428498 Capacitance of right DL = 0.0663493372 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.91316078 Capacitance of right DL [F/m2] = 1.94262954 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44873354 Adsorption of ion 1 on right wall = -4.65664979 Adsorption of ion 2 on left wall = -5.57295864 Adsorption of ion 2 on right wall = 6.97712261 ------------------------------------------------------------------------ net charge in left DL = -12.0216922 14.2336526 net charge in right DL = 11.6337724 -14.2336526 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.453062451 Relative adsorption of ion 1 on right wall = -0.327157752 Relative adsorption of ion 2 on left wall = -0.391533979 Relative adsorption of ion 2 on right wall = 0.490184972 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00663283517 Right electrode charge = -0.00663283517 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00066 Bulk concentration of Na = 1.00194 ________________________________________________________________________ Average electrode charge 1 = 0.00793370206 Average electrode charge 2 = -0.00793370206 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.400007 -0.567606 -0.570211 ________________________________________________________________________ Electrode charge exchange: 0.0633719581 Move Jump Cl: 0.93525 0.36696 Na: 0.93410 0.36994 ________________________________________________________________________ Create NaCl : 93363. / 254724. = 0.36653 Destroy NaCl : 93363. / 255258. = 0.36576 ________________________________________________________________________ Potential at left wall /kT = 1.07288299 Potential at right wall /kT = -1.05297919 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7349257 Potential at right wall /mV = -27.2203956 ________________________________________________________________________ Capacitance of left DL = 0.0430464655 Capacitance of right DL = 0.0438601458 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.80278111 Capacitance of right DL [F/m2] = 1.83685795 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.3628663 Adsorption of ion 1 on right wall = -4.83973664 Adsorption of ion 2 on left wall = -5.70535714 Adsorption of ion 2 on right wall = 6.85386541 ------------------------------------------------------------------------ net charge in left DL = -12.0682234 9.9509435 net charge in right DL = 11.693602 -9.9509435 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.639423418 Relative adsorption of ion 1 on right wall = -0.486359574 Relative adsorption of ion 2 on left wall = -0.57334836 Relative adsorption of ion 2 on right wall = 0.688765383 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00867506805 Right electrode charge = -0.00867506805 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00097 Bulk concentration of Na = 1.00188 ________________________________________________________________________ Average electrode charge 1 = 0.00794097666 Average electrode charge 2 = -0.00794097666 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.400250 -0.567606 -0.570455 ________________________________________________________________________ Electrode charge exchange: 0.063340215 Move Jump Cl: 0.93505 0.36666 Na: 0.93418 0.36946 ________________________________________________________________________ Create NaCl : 98789. / 269785. = 0.36618 Destroy NaCl : 98791. / 270098. = 0.36576 ________________________________________________________________________ Potential at left wall /kT = 1.07677215 Potential at right wall /kT = -1.05979711 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8354636 Potential at right wall /mV = -27.3966448 ________________________________________________________________________ Capacitance of left DL = 0.0560970122 Capacitance of right DL = 0.0569955318 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.79626971 Capacitance of right DL [F/m2] = 1.825041 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.38382774 Adsorption of ion 1 on right wall = -4.74214356 Adsorption of ion 2 on left wall = -5.64452999 Adsorption of ion 2 on right wall = 7.01721167 ------------------------------------------------------------------------ net charge in left DL = -12.0283577 13.0148134 net charge in right DL = 11.7593552 -13.0148134 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490504746 Relative adsorption of ion 1 on right wall = -0.364365082 Relative adsorption of ion 2 on left wall = -0.433700417 Relative adsorption of ion 2 on right wall = 0.539171132 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00641712282 Right electrode charge = -0.00641712282 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00240 Bulk concentration of Na = 1.00317 ________________________________________________________________________ Average electrode charge 1 = 0.00796229084 Average electrode charge 2 = -0.00796229084 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.402961 -0.567606 -0.573165 ________________________________________________________________________ Electrode charge exchange: 0.0633475495 Move Jump Cl: 0.93515 0.36666 Na: 0.93393 0.36899 ________________________________________________________________________ Create NaCl : 104300. / 284906. = 0.36609 Destroy NaCl : 104300. / 285022. = 0.36594 ________________________________________________________________________ Potential at left wall /kT = 1.03912793 Potential at right wall /kT = -1.02164683 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8623291 Potential at right wall /mV = -26.410428 ________________________________________________________________________ Capacitance of left DL = 0.0429993593 Capacitance of right DL = 0.0437351088 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.86134269 Capacitance of right DL [F/m2] = 1.89319158 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.31888843 Adsorption of ion 1 on right wall = -4.82548964 Adsorption of ion 2 on left wall = -5.69376747 Adsorption of ion 2 on right wall = 6.96007726 ------------------------------------------------------------------------ net charge in left DL = -12.0126559 9.62731998 net charge in right DL = 11.7855669 -9.62731998 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.656349685 Relative adsorption of ion 1 on right wall = -0.501228758 Relative adsorption of ion 2 on left wall = -0.591417704 Relative adsorption of ion 2 on right wall = 0.722950653 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00587813426 Right electrode charge = -0.00587813426 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00290 Bulk concentration of Na = 1.00364 ________________________________________________________________________ Average electrode charge 1 = 0.00796312777 Average electrode charge 2 = -0.00796312777 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.403930 -0.567606 -0.574135 ________________________________________________________________________ Electrode charge exchange: 0.0633473942 Move Jump Cl: 0.93527 0.36682 Na: 0.93397 0.36900 ________________________________________________________________________ Create NaCl : 109743. / 300209. = 0.36556 Destroy NaCl : 109755. / 299842. = 0.36604 ________________________________________________________________________ Potential at left wall /kT = 1.06019565 Potential at right wall /kT = -1.03773175 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4069472 Potential at right wall /mV = -26.8262366 ________________________________________________________________________ Capacitance of left DL = 0.0386050515 Capacitance of right DL = 0.0394407395 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82435496 Capacitance of right DL [F/m2] = 1.86384697 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.2957082 Adsorption of ion 1 on right wall = -4.90323513 Adsorption of ion 2 on left wall = -5.72630882 Adsorption of ion 2 on right wall = 6.90309452 ------------------------------------------------------------------------ net charge in left DL = -12.022017 8.81869975 net charge in right DL = 11.8063296 -8.81869975 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.71390436 Relative adsorption of ion 1 on right wall = -0.556004317 Relative adsorption of ion 2 on left wall = -0.649337088 Relative adsorption of ion 2 on right wall = 0.782779175 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00664231013 Right electrode charge = -0.00664231013 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00384 Bulk concentration of Na = 1.00471 ________________________________________________________________________ Average electrode charge 1 = 0.00793652857 Average electrode charge 2 = -0.00793652857 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.405933 -0.567606 -0.576138 ________________________________________________________________________ Electrode charge exchange: 0.0633516643 Move Jump Cl: 0.93502 0.36701 Na: 0.93373 0.36908 ________________________________________________________________________ Create NaCl : 115270. / 315402. = 0.36547 Destroy NaCl : 115273. / 314654. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.0655181 Potential at right wall /kT = -1.03606346 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5445371 Potential at right wall /mV = -26.7831099 ________________________________________________________________________ Capacitance of left DL = 0.0434059205 Capacitance of right DL = 0.0446399238 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.81524198 Capacitance of right DL [F/m2] = 1.86684818 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.22001611 Adsorption of ion 1 on right wall = -5.07480214 Adsorption of ion 2 on left wall = -5.78545194 Adsorption of ion 2 on right wall = 6.6766552 ------------------------------------------------------------------------ net charge in left DL = -12.0054681 9.96515836 net charge in right DL = 11.7514573 -9.96515836 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.624176344 Relative adsorption of ion 1 on right wall = -0.509254541 Relative adsorption of ion 2 on left wall = -0.580567989 Relative adsorption of ion 2 on right wall = 0.66999991 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00947594585 Right electrode charge = -0.00947594585 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00403 Bulk concentration of Na = 1.00484 ________________________________________________________________________ Average electrode charge 1 = 0.0079187872 Average electrode charge 2 = -0.0079187872 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.406247 -0.567606 -0.576451 ________________________________________________________________________ Electrode charge exchange: 0.0633526174 Move Jump Cl: 0.93490 0.36725 Na: 0.93361 0.36910 ________________________________________________________________________ Create NaCl : 120760. / 330445. = 0.36545 Destroy NaCl : 120785. / 329602. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.05319011 Potential at right wall /kT = -1.02671363 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2258481 Potential at right wall /mV = -26.541409 ________________________________________________________________________ Capacitance of left DL = 0.0626478904 Capacitance of right DL = 0.0642634289 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83649008 Capacitance of right DL [F/m2] = 1.88384874 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.1742062 Adsorption of ion 1 on right wall = -5.13723168 Adsorption of ion 2 on left wall = -5.78912052 Adsorption of ion 2 on right wall = 6.58918403 ------------------------------------------------------------------------ net charge in left DL = -11.9633267 14.2163342 net charge in right DL = 11.7264157 -14.2163342 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.434303675 Relative adsorption of ion 1 on right wall = -0.361361205 Relative adsorption of ion 2 on left wall = -0.407216123 Relative adsorption of ion 2 on right wall = 0.463493888 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806826729 Right electrode charge = -0.00806826729 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00368 Bulk concentration of Na = 1.00439 ________________________________________________________________________ Average electrode charge 1 = 0.00791480573 Average electrode charge 2 = -0.00791480573 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.405461 -0.567606 -0.575665 ________________________________________________________________________ Electrode charge exchange: 0.0633389403 Move Jump Cl: 0.93489 0.36742 Na: 0.93393 0.36911 ________________________________________________________________________ Create NaCl : 126301. / 345382. = 0.36568 Destroy NaCl : 126303. / 344578. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.06107559 Potential at right wall /kT = -1.03221806 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4296945 Potential at right wall /mV = -26.6837031 ________________________________________________________________________ Capacitance of left DL = 0.0529449577 Capacitance of right DL = 0.0544251302 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82284203 Capacitance of right DL [F/m2] = 1.87380289 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24642072 Adsorption of ion 1 on right wall = -5.17103218 Adsorption of ion 2 on left wall = -5.70203348 Adsorption of ion 2 on right wall = 6.56900202 ------------------------------------------------------------------------ net charge in left DL = -11.9484542 12.1044576 net charge in right DL = 11.7400342 -12.1044576 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.51604301 Relative adsorption of ion 1 on right wall = -0.427200653 Relative adsorption of ion 2 on left wall = -0.471068898 Relative adsorption of ion 2 on right wall = 0.542692804 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00867063976 Right electrode charge = -0.00867063976 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00370 Bulk concentration of Na = 1.00449 ________________________________________________________________________ Average electrode charge 1 = 0.00787671899 Average electrode charge 2 = -0.00787671899 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.405570 -0.567606 -0.575774 ________________________________________________________________________ Electrode charge exchange: 0.0633440596 Move Jump Cl: 0.93485 0.36739 Na: 0.93404 0.36941 ________________________________________________________________________ Create NaCl : 131782. / 360234. = 0.36582 Destroy NaCl : 131783. / 359655. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.03570903 Potential at right wall /kT = -1.00995326 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7739475 Potential at right wall /mV = -26.1081393 ________________________________________________________________________ Capacitance of left DL = 0.0582913393 Capacitance of right DL = 0.0597778815 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.86748704 Capacitance of right DL [F/m2] = 1.91511158 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.09488542 Adsorption of ion 1 on right wall = -5.1917118 Adsorption of ion 2 on left wall = -5.79197445 Adsorption of ion 2 on right wall = 6.46410055 ------------------------------------------------------------------------ net charge in left DL = -11.8868599 13.0081698 net charge in right DL = 11.6558124 -13.0081698 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.468542885 Relative adsorption of ion 1 on right wall = -0.399111625 Relative adsorption of ion 2 on left wall = -0.445256675 Relative adsorption of ion 2 on right wall = 0.496926211 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00729810092 Right electrode charge = -0.00729810092 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00369 Bulk concentration of Na = 1.00468 ________________________________________________________________________ Average electrode charge 1 = 0.00786183147 Average electrode charge 2 = -0.00786183147 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.405755 -0.567606 -0.575959 ________________________________________________________________________ Electrode charge exchange: 0.0633394294 Move Jump Cl: 0.93488 0.36766 Na: 0.93407 0.36956 ________________________________________________________________________ Create NaCl : 137317. / 375066. = 0.36611 Destroy NaCl : 137334. / 374947. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.04925085 Potential at right wall /kT = -1.02444622 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1240151 Potential at right wall /mV = -26.4827944 ________________________________________________________________________ Capacitance of left DL = 0.0484307491 Capacitance of right DL = 0.0496033895 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.84338491 Capacitance of right DL [F/m2] = 1.88801828 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.97393653 Adsorption of ion 1 on right wall = -5.28696881 Adsorption of ion 2 on left wall = -5.92993639 Adsorption of ion 2 on right wall = 6.32932094 ------------------------------------------------------------------------ net charge in left DL = -11.9038729 10.9490117 net charge in right DL = 11.6162898 -10.9490117 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.545614225 Relative adsorption of ion 1 on right wall = -0.482871784 Relative adsorption of ion 2 on left wall = -0.541595585 Relative adsorption of ion 2 on right wall = 0.578072352 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00918042799 Right electrode charge = -0.00918042799 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 319 -1.00 3.0000 1.5000 Na ion: 319 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00294 Bulk concentration of Na = 1.00383 ________________________________________________________________________ Average electrode charge 1 = 0.00784071208 Average electrode charge 2 = -0.00784071208 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.404164 -0.567606 -0.574369 ________________________________________________________________________ Electrode charge exchange: 0.0633555201 Move Jump Cl: 0.93479 0.36759 Na: 0.93413 0.36962 ________________________________________________________________________ Create NaCl : 142776. / 390052. = 0.36604 Destroy NaCl : 142757. / 389944. = 0.36610 ________________________________________________________________________ Potential at left wall /kT = 1.02573838 Potential at right wall /kT = -1.00402703 ------------------------------------------------------------------------ Potential at left wall /mV = 26.5161979 Potential at right wall /mV = -25.9549414 ________________________________________________________________________ Capacitance of left DL = 0.0623184978 Capacitance of right DL = 0.0636660894 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.88563987 Capacitance of right DL [F/m2] = 1.92641545 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.97808166 Adsorption of ion 1 on right wall = -5.17135616 Adsorption of ion 2 on left wall = -5.86553782 Adsorption of ion 2 on right wall = 6.41327564 ------------------------------------------------------------------------ net charge in left DL = -11.8436195 13.7729821 net charge in right DL = 11.5846318 -13.7729821 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.434044103 Relative adsorption of ion 1 on right wall = -0.375471057 Relative adsorption of ion 2 on left wall = -0.425872754 Relative adsorption of ion 2 on right wall = 0.46564176 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00721485997 Right electrode charge = -0.00721485997 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00178 Bulk concentration of Na = 1.00262 ________________________________________________________________________ Average electrode charge 1 = 0.00785041465 Average electrode charge 2 = -0.00785041465 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.401794 -0.567606 -0.571999 ________________________________________________________________________ Electrode charge exchange: 0.0633921079 Move Jump Cl: 0.93469 0.36781 Na: 0.93423 0.36966 ________________________________________________________________________ Create NaCl : 148292. / 405046. = 0.36611 Destroy NaCl : 148310. / 405142. = 0.36607 ________________________________________________________________________ Potential at left wall /kT = 1.01319142 Potential at right wall /kT = -0.993399753 ------------------------------------------------------------------------ Potential at left wall /mV = 26.1918484 Potential at right wall /mV = -25.6802173 ________________________________________________________________________ Capacitance of left DL = 0.0495823443 Capacitance of right DL = 0.0505701814 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.90899089 Capacitance of right DL [F/m2] = 1.94702403 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.01068419 Adsorption of ion 1 on right wall = -5.07446026 Adsorption of ion 2 on left wall = -5.83285843 Adsorption of ion 2 on right wall = 6.5215391 ------------------------------------------------------------------------ net charge in left DL = -11.8435426 10.8241291 net charge in right DL = 11.5959994 -10.8241291 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.555304187 Relative adsorption of ion 1 on right wall = -0.468810029 Relative adsorption of ion 2 on left wall = -0.538875544 Relative adsorption of ion 2 on right wall = 0.602500124 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0116601711 Right electrode charge = -0.0116601711 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00152 Bulk concentration of Na = 1.00212 ________________________________________________________________________ Average electrode charge 1 = 0.00782902244 Average electrode charge 2 = -0.00782902244 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.401037 -0.567606 -0.571242 ________________________________________________________________________ Electrode charge exchange: 0.0633736368 Move Jump Cl: 0.93478 0.36763 Na: 0.93425 0.36966 ________________________________________________________________________ Create NaCl : 153791. / 419899. = 0.36626 Destroy NaCl : 153795. / 420275. = 0.36594 ________________________________________________________________________ Potential at left wall /kT = 1.02358006 Potential at right wall /kT = -1.00489996 ------------------------------------------------------------------------ Potential at left wall /mV = 26.4604036 Potential at right wall /mV = -25.9775072 ________________________________________________________________________ Capacitance of left DL = 0.0793183657 Capacitance of right DL = 0.0807928166 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.88961592 Capacitance of right DL [F/m2] = 1.92474203 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.90796372 Adsorption of ion 1 on right wall = -5.03956664 Adsorption of ion 2 on left wall = -5.87408891 Adsorption of ion 2 on right wall = 6.56834026 ------------------------------------------------------------------------ net charge in left DL = -11.7820526 17.4932289 net charge in right DL = 11.6079069 -17.4932289 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.337728601 Relative adsorption of ion 1 on right wall = -0.288086703 Relative adsorption of ion 2 on left wall = -0.335792149 Relative adsorption of ion 2 on right wall = 0.37547901 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00728211557 Right electrode charge = -0.00728211557 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00148 Bulk concentration of Na = 1.00187 ________________________________________________________________________ Average electrode charge 1 = 0.00785741507 Average electrode charge 2 = -0.00785741507 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.400743 -0.567606 -0.570948 ________________________________________________________________________ Electrode charge exchange: 0.0633803289 Move Jump Cl: 0.93470 0.36783 Na: 0.93442 0.36977 ________________________________________________________________________ Create NaCl : 159360. / 434826. = 0.36649 Destroy NaCl : 159365. / 435556. = 0.36589 ________________________________________________________________________ Potential at left wall /kT = 1.05397608 Potential at right wall /kT = -1.03687896 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2461661 Potential at right wall /mV = -26.8041912 ________________________________________________________________________ Capacitance of left DL = 0.0481080182 Capacitance of right DL = 0.0489012723 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83512058 Capacitance of right DL [F/m2] = 1.86537992 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.85231674 Adsorption of ion 1 on right wall = -5.08293556 Adsorption of ion 2 on left wall = -5.96280286 Adsorption of ion 2 on right wall = 6.61688162 ------------------------------------------------------------------------ net charge in left DL = -11.8151196 10.9250296 net charge in right DL = 11.6998172 -10.9250296 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.535679714 Relative adsorption of ion 1 on right wall = -0.465255999 Relative adsorption of ion 2 on left wall = -0.545792834 Relative adsorption of ion 2 on right wall = 0.60566258 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00801709937 Right electrode charge = -0.00801709937 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00231 Bulk concentration of Na = 1.00255 ________________________________________________________________________ Average electrode charge 1 = 0.00784849193 Average electrode charge 2 = -0.00784849193 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.402250 -0.567606 -0.572455 ________________________________________________________________________ Electrode charge exchange: 0.0633852212 Move Jump Cl: 0.93460 0.36785 Na: 0.93438 0.36973 ________________________________________________________________________ Create NaCl : 164891. / 450017. = 0.36641 Destroy NaCl : 164912. / 450386. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.06117711 Potential at right wall /kT = -1.04574886 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4323189 Potential at right wall /mV = -27.0334855 ________________________________________________________________________ Capacitance of left DL = 0.0526041545 Capacitance of right DL = 0.0533802399 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82266764 Capacitance of right DL [F/m2] = 1.84955802 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.82836334 Adsorption of ion 1 on right wall = -5.12773944 Adsorption of ion 2 on left wall = -5.95627763 Adsorption of ion 2 on right wall = 6.58696293 ------------------------------------------------------------------------ net charge in left DL = -11.784641 12.0276926 net charge in right DL = 11.7147024 -12.0276926 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.484578673 Relative adsorption of ion 1 on right wall = -0.426327775 Relative adsorption of ion 2 on left wall = -0.495213654 Relative adsorption of ion 2 on right wall = 0.547649755 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0082156423 Right electrode charge = -0.0082156423 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00210 Bulk concentration of Na = 1.00234 ________________________________________________________________________ Average electrode charge 1 = 0.00785816149 Average electrode charge 2 = -0.00785816149 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.401833 -0.567606 -0.572038 ________________________________________________________________________ Electrode charge exchange: 0.0633984889 Move Jump Cl: 0.93451 0.36780 Na: 0.93447 0.36970 ________________________________________________________________________ Create NaCl : 170357. / 465057. = 0.36631 Destroy NaCl : 170368. / 465314. = 0.36614 ________________________________________________________________________ Potential at left wall /kT = 1.07686145 Potential at right wall /kT = -1.0629055 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8377722 Potential at right wall /mV = -27.4769992 ________________________________________________________________________ Capacitance of left DL = 0.0531217464 Capacitance of right DL = 0.0538192349 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.79612074 Capacitance of right DL [F/m2] = 1.8197038 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.82085911 Adsorption of ion 1 on right wall = -5.039871 Adsorption of ion 2 on left wall = -5.99011107 Adsorption of ion 2 on right wall = 6.7012072 ------------------------------------------------------------------------ net charge in left DL = -11.8109702 12.3255576 net charge in right DL = 11.7410782 -12.3255576 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.472259291 Relative adsorption of ion 1 on right wall = -0.408895982 Relative adsorption of ion 2 on left wall = -0.48599108 Relative adsorption of ion 2 on right wall = 0.543683896 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0108311644 Right electrode charge = -0.0108311644 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00202 Bulk concentration of Na = 1.00232 ________________________________________________________________________ Average electrode charge 1 = 0.00787211945 Average electrode charge 2 = -0.00787211945 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.401745 -0.567606 -0.571949 ________________________________________________________________________ Electrode charge exchange: 0.0634191217 Move Jump Cl: 0.93450 0.36802 Na: 0.93441 0.36967 ________________________________________________________________________ Create NaCl : 175947. / 480138. = 0.36645 Destroy NaCl : 175968. / 480457. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.09005833 Potential at right wall /kT = -1.07636393 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1789226 Potential at right wall /mV = -27.8249109 ________________________________________________________________________ Capacitance of left DL = 0.0691856556 Capacitance of right DL = 0.0700658931 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.77437586 Capacitance of right DL [F/m2] = 1.79695095 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.89505931 Adsorption of ion 1 on right wall = -5.07113444 Adsorption of ion 2 on left wall = -5.95406174 Adsorption of ion 2 on right wall = 6.68967263 ------------------------------------------------------------------------ net charge in left DL = -11.8491211 16.2495075 net charge in right DL = 11.7608071 -16.2495075 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.362783877 Relative adsorption of ion 1 on right wall = -0.312079271 Relative adsorption of ion 2 on left wall = -0.366414906 Relative adsorption of ion 2 on right wall = 0.41168464 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00927112525 Right electrode charge = -0.00927112525 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 266 -1.00 3.0000 1.5000 Na ion: 266 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00126 Bulk concentration of Na = 1.00125 ________________________________________________________________________ Average electrode charge 1 = 0.00788311476 Average electrode charge 2 = -0.00788311476 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.399905 -0.567606 -0.570110 ________________________________________________________________________ Electrode charge exchange: 0.0633916836 Move Jump Cl: 0.93462 0.36820 Na: 0.93432 0.36979 ________________________________________________________________________ Create NaCl : 181544. / 495118. = 0.36667 Destroy NaCl : 181578. / 495576. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.06778725 Potential at right wall /kT = -1.05375133 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6031965 Potential at right wall /mV = -27.2403561 ________________________________________________________________________ Capacitance of left DL = 0.0604558553 Capacitance of right DL = 0.0612611247 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.81138442 Capacitance of right DL [F/m2] = 1.83551198 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.92899592 Adsorption of ion 1 on right wall = -5.10245711 Adsorption of ion 2 on left wall = -5.872647 Adsorption of ion 2 on right wall = 6.70294846 ------------------------------------------------------------------------ net charge in left DL = -11.8016429 13.9090511 net charge in right DL = 11.8054056 -13.9090511 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.4262689 Relative adsorption of ion 1 on right wall = -0.366844371 Relative adsorption of ion 2 on left wall = -0.422217659 Relative adsorption of ion 2 on right wall = 0.481912705 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00764243661 Right electrode charge = -0.00764243661 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00097 Bulk concentration of Na = 1.00116 ________________________________________________________________________ Average electrode charge 1 = 0.00788791059 Average electrode charge 2 = -0.00788791059 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.399524 -0.567606 -0.569728 ________________________________________________________________________ Electrode charge exchange: 0.0633781195 Move Jump Cl: 0.93464 0.36820 Na: 0.93427 0.36981 ________________________________________________________________________ Create NaCl : 187184. / 510270. = 0.36683 Destroy NaCl : 187209. / 510584. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.05323172 Potential at right wall /kT = -1.03854429 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2269239 Potential at right wall /mV = -26.8472414 ________________________________________________________________________ Capacitance of left DL = 0.0505240977 Capacitance of right DL = 0.0512386261 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83641752 Capacitance of right DL [F/m2] = 1.86238874 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.95276895 Adsorption of ion 1 on right wall = -5.06717566 Adsorption of ion 2 on left wall = -5.87380926 Adsorption of ion 2 on right wall = 6.70414809 ------------------------------------------------------------------------ net charge in left DL = -11.8265782 11.465603 net charge in right DL = 11.7713237 -11.465603 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519184988 Relative adsorption of ion 1 on right wall = -0.441945849 Relative adsorption of ion 2 on left wall = -0.512298329 Relative adsorption of ion 2 on right wall = 0.584718317 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00824887271 Right electrode charge = -0.00824887271 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00075 Bulk concentration of Na = 1.00097 ________________________________________________________________________ Average electrode charge 1 = 0.00791000918 Average electrode charge 2 = -0.00791000918 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.399123 -0.567606 -0.569328 ________________________________________________________________________ Electrode charge exchange: 0.0633744794 Move Jump Cl: 0.93465 0.36843 Na: 0.93425 0.36969 ________________________________________________________________________ Create NaCl : 192628. / 525250. = 0.36674 Destroy NaCl : 192623. / 525568. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.05959259 Potential at right wall /kT = -1.04426219 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3913576 Potential at right wall /mV = -26.9950539 ________________________________________________________________________ Capacitance of left DL = 0.054205873 Capacitance of right DL = 0.0550016479 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82539328 Capacitance of right DL [F/m2] = 1.85219115 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.0446923 Adsorption of ion 1 on right wall = -5.09348675 Adsorption of ion 2 on left wall = -5.82063721 Adsorption of ion 2 on right wall = 6.70975993 ------------------------------------------------------------------------ net charge in left DL = -11.8653295 12.3754117 net charge in right DL = 11.8032467 -12.3754117 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.488443732 Relative adsorption of ion 1 on right wall = -0.411581195 Relative adsorption of ion 2 on left wall = -0.470338873 Relative adsorption of ion 2 on right wall = 0.542184783 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00849097402 Right electrode charge = -0.00849097402 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00011 Bulk concentration of Na = 1.00009 ________________________________________________________________________ Average electrode charge 1 = 0.00790351823 Average electrode charge 2 = -0.00790351823 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.397600 -0.567606 -0.567805 ________________________________________________________________________ Electrode charge exchange: 0.063371578 Move Jump Cl: 0.93456 0.36850 Na: 0.93431 0.36961 ________________________________________________________________________ Create NaCl : 198013. / 540113. = 0.36661 Destroy NaCl : 198022. / 540611. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 1.0473441 Potential at right wall /kT = -1.02567005 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0747238 Potential at right wall /mV = -26.5144316 ________________________________________________________________________ Capacitance of left DL = 0.0564493279 Capacitance of right DL = 0.0576421922 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.8467409 Capacitance of right DL [F/m2] = 1.88576548 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.05219179 Adsorption of ion 1 on right wall = -5.01577904 Adsorption of ion 2 on left wall = -5.75935208 Adsorption of ion 2 on right wall = 6.80288356 ------------------------------------------------------------------------ net charge in left DL = -11.8115439 12.7386254 net charge in right DL = 11.8186626 -12.7386254 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.475105562 Relative adsorption of ion 1 on right wall = -0.393745705 Relative adsorption of ion 2 on left wall = -0.452117234 Relative adsorption of ion 2 on right wall = 0.534035922 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00888294175 Right electrode charge = -0.00888294175 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00024 Bulk concentration of Na = 1.00053 ________________________________________________________________________ Average electrode charge 1 = 0.00791022978 Average electrode charge 2 = -0.00791022978 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.398167 -0.567606 -0.568372 ________________________________________________________________________ Electrode charge exchange: 0.0633772718 Move Jump Cl: 0.93463 0.36854 Na: 0.93424 0.36953 ________________________________________________________________________ Create NaCl : 203485. / 555185. = 0.36652 Destroy NaCl : 203483. / 555599. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.04116826 Potential at right wall /kT = -1.02179552 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9150734 Potential at right wall /mV = -26.4142718 ________________________________________________________________________ Capacitance of left DL = 0.0594054849 Capacitance of right DL = 0.0605317836 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.8576951 Capacitance of right DL [F/m2] = 1.89291609 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.09651762 Adsorption of ion 1 on right wall = -5.05716977 Adsorption of ion 2 on left wall = -5.76610343 Adsorption of ion 2 on right wall = 6.72196324 ------------------------------------------------------------------------ net charge in left DL = -11.862621 13.3266769 net charge in right DL = 11.779133 -13.3266769 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.457467203 Relative adsorption of ion 1 on right wall = -0.379477179 Relative adsorption of ion 2 on left wall = -0.432673761 Relative adsorption of ion 2 on right wall = 0.504399054 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00734099126 Right electrode charge = -0.00734099126 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00030 Bulk concentration of Na = 1.00028 ________________________________________________________________________ Average electrode charge 1 = 0.00790014287 Average electrode charge 2 = -0.00790014287 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.397989 -0.567606 -0.568194 ________________________________________________________________________ Electrode charge exchange: 0.0633868873 Move Jump Cl: 0.93450 0.36866 Na: 0.93421 0.36946 ________________________________________________________________________ Create NaCl : 208890. / 570257. = 0.36631 Destroy NaCl : 208899. / 570668. = 0.36606 ________________________________________________________________________ Potential at left wall /kT = 1.03927208 Potential at right wall /kT = -1.01639634 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8660555 Potential at right wall /mV = -26.2746983 ________________________________________________________________________ Capacitance of left DL = 0.0491831226 Capacitance of right DL = 0.0502900733 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.86108452 Capacitance of right DL [F/m2] = 1.90297142 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.06609573 Adsorption of ion 1 on right wall = -4.97403716 Adsorption of ion 2 on left wall = -5.73561968 Adsorption of ion 2 on right wall = 6.83292725 ------------------------------------------------------------------------ net charge in left DL = -11.8017154 11.0133581 net charge in right DL = 11.8069644 -11.0133581 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.550794377 Relative adsorption of ion 1 on right wall = -0.45163674 Relative adsorption of ion 2 on left wall = -0.520787539 Relative adsorption of ion 2 on right wall = 0.620421779 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00698103602 Right electrode charge = -0.00698103602 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 314 -1.00 3.0000 1.5000 Na ion: 314 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00036 Bulk concentration of Na = 1.00048 ________________________________________________________________________ Average electrode charge 1 = 0.00788544141 Average electrode charge 2 = -0.00788544141 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.398243 -0.567606 -0.568448 ________________________________________________________________________ Electrode charge exchange: 0.0633856511 Move Jump Cl: 0.93450 0.36884 Na: 0.93420 0.36933 ________________________________________________________________________ Create NaCl : 214358. / 585342. = 0.36621 Destroy NaCl : 214344. / 585562. = 0.36605 ________________________________________________________________________ Potential at left wall /kT = 1.02551669 Potential at right wall /kT = -1.0002456 ------------------------------------------------------------------------ Potential at left wall /mV = 26.5104671 Potential at right wall /mV = -25.8571882 ________________________________________________________________________ Capacitance of left DL = 0.0473988491 Capacitance of right DL = 0.0485963758 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.88604749 Capacitance of right DL [F/m2] = 1.93369827 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.99319468 Adsorption of ion 1 on right wall = -4.82877626 Adsorption of ion 2 on left wall = -5.79796162 Adsorption of ion 2 on right wall = 6.92678026 ------------------------------------------------------------------------ net charge in left DL = -11.7911563 10.4733335 net charge in right DL = 11.7555565 -10.4733335 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.572233728 Relative adsorption of ion 1 on right wall = -0.461054376 Relative adsorption of ion 2 on left wall = -0.553592761 Relative adsorption of ion 2 on right wall = 0.661373024 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00704765198 Right electrode charge = -0.00704765198 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00074 Bulk concentration of Na = 1.00061 ________________________________________________________________________ Average electrode charge 1 = 0.00786157403 Average electrode charge 2 = -0.00786157403 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.397402 -15.398749 -0.567606 -0.568954 ________________________________________________________________________ Electrode charge exchange: 0.063380245 Move Jump Cl: 0.93459 0.36898 Na: 0.93433 0.36923 ________________________________________________________________________ Create NaCl : 219861. / 600469. = 0.36615 Destroy NaCl : 219872. / 600461. = 0.36617 ________________________________________________________________________ Potential at left wall /kT = 1.01684753 Potential at right wall /kT = -0.993318439 ------------------------------------------------------------------------ Potential at left wall /mV = 26.286362 Potential at right wall /mV = -25.6781152 ________________________________________________________________________ Capacitance of left DL = 0.0482591052 Capacitance of right DL = 0.0494022359 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.90212704 Capacitance of right DL [F/m2] = 1.94718341 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.90456113 Adsorption of ion 1 on right wall = -4.83502053 Adsorption of ion 2 on left wall = -5.80977847 Adsorption of ion 2 on right wall = 6.91668403 ------------------------------------------------------------------------ net charge in left DL = -11.7143396 10.5732744 net charge in right DL = 11.7517046 -10.5732744 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.558442057 Relative adsorption of ion 1 on right wall = -0.45728696 Relative adsorption of ion 2 on left wall = -0.549477695 Relative adsorption of ion 2 on right wall = 0.654166698 ________________________________________________________________________ End of iteration 4 ======================================================================== 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 12.3542364 net charge on right wall /e = -12.3542364 net charge on walls /e (starting) = 0. Initial sigma = 0.00823475823 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 5 1 1. 1.00061023 1 -15.3974018 -15.3987494 1 -1.06 -0.568954031 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 5 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00914115016 Right electrode charge = -0.00914115016 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.97614 Bulk concentration of Na = 0.97526 ________________________________________________________________________ Average electrode charge 1 = 0.00806745107 Average electrode charge 2 = -0.00806745107 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.349545 -0.568954 -0.519750 ________________________________________________________________________ Electrode charge exchange: 0.0633909963 Move Jump Cl: 0.93480 0.36757 Na: 0.93838 0.37292 ________________________________________________________________________ Create NaCl : 5562. / 14825. = 0.37518 Destroy NaCl : 5576. / 15228. = 0.36617 ________________________________________________________________________ Potential at left wall /kT = 1.97597771 Potential at right wall /kT = -1.95068787 ------------------------------------------------------------------------ Potential at left wall /mV = 51.0806819 Potential at right wall /mV = -50.4269185 ________________________________________________________________________ Capacitance of left DL = 0.0322113892 Capacitance of right DL = 0.0326289961 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 0.978843628 Capacitance of right DL [F/m2] = 0.991533917 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.0418983 Adsorption of ion 1 on right wall = -3.73278504 Adsorption of ion 2 on left wall = -8.49865855 Adsorption of ion 2 on right wall = 9.06629145 ------------------------------------------------------------------------ net charge in left DL = -12.5405568 13.7140554 net charge in right DL = 12.7990765 -13.7140554 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.294726701 Relative adsorption of ion 1 on right wall = -0.272186814 Relative adsorption of ion 2 on left wall = -0.619704262 Relative adsorption of ion 2 on right wall = 0.661094856 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00723966858 Right electrode charge = -0.00723966858 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.98996 Bulk concentration of Na = 0.98412 ________________________________________________________________________ Average electrode charge 1 = 0.0083012055 Average electrode charge 2 = -0.0083012055 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.372654 -0.568954 -0.542859 ________________________________________________________________________ Electrode charge exchange: 0.063382164 Move Jump Cl: 0.93404 0.36885 Na: 0.93547 0.37163 ________________________________________________________________________ Create NaCl : 11006. / 29869. = 0.36848 Destroy NaCl : 11009. / 30298. = 0.36336 ________________________________________________________________________ Potential at left wall /kT = 1.40239535 Potential at right wall /kT = -1.39043506 ------------------------------------------------------------------------ Potential at left wall /mV = 36.2530966 Potential at right wall /mV = -35.9439131 ________________________________________________________________________ Capacitance of left DL = 0.0359450321 Capacitance of right DL = 0.0362542253 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.37919253 Capacitance of right DL [F/m2] = 1.39105611 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.45132891 Adsorption of ion 1 on right wall = -5.33388776 Adsorption of ion 2 on left wall = -6.32904488 Adsorption of ion 2 on right wall = 8.15860512 ------------------------------------------------------------------------ net charge in left DL = -11.7803738 10.8613483 net charge in right DL = 13.4924929 -10.8613483 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.501901675 Relative adsorption of ion 1 on right wall = -0.491088916 Relative adsorption of ion 2 on left wall = -0.582712634 Relative adsorption of ion 2 on right wall = 0.751159515 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00672131888 Right electrode charge = -0.00672131888 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.98641 Bulk concentration of Na = 0.98416 ________________________________________________________________________ Average electrode charge 1 = 0.00816336694 Average electrode charge 2 = -0.00816336694 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.369105 -0.568954 -0.539310 ________________________________________________________________________ Electrode charge exchange: 0.0633944135 Move Jump Cl: 0.93566 0.37129 Na: 0.93616 0.37185 ________________________________________________________________________ Create NaCl : 16519. / 44738. = 0.36924 Destroy NaCl : 16537. / 45443. = 0.36391 ________________________________________________________________________ Potential at left wall /kT = 1.22193214 Potential at right wall /kT = -1.20019518 ------------------------------------------------------------------------ Potential at left wall /mV = 31.5879713 Potential at right wall /mV = -31.0260525 ________________________________________________________________________ Capacitance of left DL = 0.0382999374 Capacitance of right DL = 0.0389935949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.58288101 Capacitance of right DL [F/m2] = 1.61154887 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.59328601 Adsorption of ion 1 on right wall = -5.35326955 Adsorption of ion 2 on left wall = -6.37114368 Adsorption of ion 2 on right wall = 7.27008966 ------------------------------------------------------------------------ net charge in left DL = -11.9644297 10.0836916 net charge in right DL = 12.6233592 -10.0836916 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.554686342 Relative adsorption of ion 1 on right wall = -0.530883902 Relative adsorption of ion 2 on left wall = -0.63182651 Relative adsorption of ion 2 on right wall = 0.72097501 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00896272812 Right electrode charge = -0.00896272812 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99088 Bulk concentration of Na = 0.98780 ________________________________________________________________________ Average electrode charge 1 = 0.0079777973 Average electrode charge 2 = -0.0079777973 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.377313 -0.568954 -0.547518 ________________________________________________________________________ Electrode charge exchange: 0.0634121373 Move Jump Cl: 0.93668 0.37149 Na: 0.93490 0.37100 ________________________________________________________________________ Create NaCl : 22021. / 59672. = 0.36903 Destroy NaCl : 22029. / 60518. = 0.36401 ________________________________________________________________________ Potential at left wall /kT = 1.16238862 Potential at right wall /kT = -1.0829419 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0487214 Potential at right wall /mV = -27.9949568 ________________________________________________________________________ Capacitance of left DL = 0.0536882841 Capacitance of right DL = 0.0576269613 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66396431 Capacitance of right DL [F/m2] = 1.78603598 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13210487 Adsorption of ion 1 on right wall = -5.5032743 Adsorption of ion 2 on left wall = -6.38511273 Adsorption of ion 2 on right wall = 6.9175581 ------------------------------------------------------------------------ net charge in left DL = -11.5172176 13.4463768 net charge in right DL = 12.4208324 -13.4463768 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.381671951 Relative adsorption of ion 1 on right wall = -0.409275627 Relative adsorption of ion 2 on left wall = -0.474857489 Relative adsorption of ion 2 on right wall = 0.514455172 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00813115256 Right electrode charge = -0.00813115256 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99474 Bulk concentration of Na = 0.99250 ________________________________________________________________________ Average electrode charge 1 = 0.00799665828 Average electrode charge 2 = -0.00799665828 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.385945 -0.568954 -0.556149 ________________________________________________________________________ Electrode charge exchange: 0.0634249941 Move Jump Cl: 0.93582 0.37002 Na: 0.93453 0.37086 ________________________________________________________________________ Create NaCl : 27544. / 74732. = 0.36857 Destroy NaCl : 27555. / 75280. = 0.36603 ________________________________________________________________________ Potential at left wall /kT = 1.00309496 Potential at right wall /kT = -0.93925426 ------------------------------------------------------------------------ Potential at left wall /mV = 25.9308464 Potential at right wall /mV = -24.2805108 ________________________________________________________________________ Capacitance of left DL = 0.0564417819 Capacitance of right DL = 0.0602781048 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.92820548 Capacitance of right DL [F/m2] = 2.05926475 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.40225247 Adsorption of ion 1 on right wall = -5.3521442 Adsorption of ion 2 on left wall = -6.15635294 Adsorption of ion 2 on right wall = 6.8623104 ------------------------------------------------------------------------ net charge in left DL = -11.5586054 12.1988015 net charge in right DL = 12.2144546 -12.1988015 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.442851084 Relative adsorption of ion 1 on right wall = -0.438743445 Relative adsorption of ion 2 on left wall = -0.50466867 Relative adsorption of ion 2 on right wall = 0.562539721 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00786193059 Right electrode charge = -0.00786193059 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99737 Bulk concentration of Na = 0.99458 ________________________________________________________________________ Average electrode charge 1 = 0.0080438235 Average electrode charge 2 = -0.0080438235 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.390684 -0.568954 -0.560888 ________________________________________________________________________ Electrode charge exchange: 0.0634111102 Move Jump Cl: 0.93489 0.37055 Na: 0.93470 0.37015 ________________________________________________________________________ Create NaCl : 32978. / 89561. = 0.36822 Destroy NaCl : 32991. / 90199. = 0.36576 ________________________________________________________________________ Potential at left wall /kT = 1.10361554 Potential at right wall /kT = -1.05078159 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5293878 Potential at right wall /mV = -27.1635859 ________________________________________________________________________ Capacitance of left DL = 0.049602327 Capacitance of right DL = 0.0520963628 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.75257879 Capacitance of right DL [F/m2] = 1.84069954 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.22757959 Adsorption of ion 1 on right wall = -5.52681764 Adsorption of ion 2 on left wall = -6.40045859 Adsorption of ion 2 on right wall = 6.91689419 ------------------------------------------------------------------------ net charge in left DL = -11.6280382 11.7948999 net charge in right DL = 12.4437118 -11.7948999 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.443206777 Relative adsorption of ion 1 on right wall = -0.4685769 Relative adsorption of ion 2 on left wall = -0.542646282 Relative adsorption of ion 2 on right wall = 0.586430935 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00637585493 Right electrode charge = -0.00637585493 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99608 Bulk concentration of Na = 0.99401 ________________________________________________________________________ Average electrode charge 1 = 0.00797711921 Average electrode charge 2 = -0.00797711921 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.388819 -0.568954 -0.559023 ________________________________________________________________________ Electrode charge exchange: 0.0634135785 Move Jump Cl: 0.93537 0.37076 Na: 0.93388 0.36991 ________________________________________________________________________ Create NaCl : 38467. / 104673. = 0.36750 Destroy NaCl : 38486. / 105273. = 0.36558 ________________________________________________________________________ Potential at left wall /kT = 1.1013383 Potential at right wall /kT = -1.04125794 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4705192 Potential at right wall /mV = -26.9173916 ________________________________________________________________________ Capacitance of left DL = 0.0403095861 Capacitance of right DL = 0.0426354403 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.75620261 Capacitance of right DL [F/m2] = 1.85753511 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.59220482 Adsorption of ion 1 on right wall = -5.26010709 Adsorption of ion 2 on left wall = -6.04544383 Adsorption of ion 2 on right wall = 6.98284426 ------------------------------------------------------------------------ net charge in left DL = -11.6376486 9.56540763 net charge in right DL = 12.2429514 -9.56540763 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.584627967 Relative adsorption of ion 1 on right wall = -0.54990935 Relative adsorption of ion 2 on left wall = -0.632011103 Relative adsorption of ion 2 on right wall = 0.730010109 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00760592834 Right electrode charge = -0.00760592834 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99816 Bulk concentration of Na = 0.99622 ________________________________________________________________________ Average electrode charge 1 = 0.00799995593 Average electrode charge 2 = -0.00799995593 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393116 -0.568954 -0.563321 ________________________________________________________________________ Electrode charge exchange: 0.0634329431 Move Jump Cl: 0.93485 0.36991 Na: 0.93353 0.36886 ________________________________________________________________________ Create NaCl : 43935. / 119681. = 0.36710 Destroy NaCl : 43933. / 120286. = 0.36524 ________________________________________________________________________ Potential at left wall /kT = 1.04377287 Potential at right wall /kT = -0.984641441 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9824047 Potential at right wall /mV = -25.4538076 ________________________________________________________________________ Capacitance of left DL = 0.0507384126 Capacitance of right DL = 0.0537854457 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.85305945 Capacitance of right DL [F/m2] = 1.96434266 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.80112314 Adsorption of ion 1 on right wall = -5.72056853 Adsorption of ion 2 on left wall = -5.84850188 Adsorption of ion 2 on right wall = 6.49735229 ------------------------------------------------------------------------ net charge in left DL = -11.649625 11.4108313 net charge in right DL = 12.2179208 -11.4108313 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.508387425 Relative adsorption of ion 1 on right wall = -0.501327938 Relative adsorption of ion 2 on left wall = -0.51253951 Relative adsorption of ion 2 on right wall = 0.569402186 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00666787867 Right electrode charge = -0.00666787867 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00057 Bulk concentration of Na = 0.99904 ________________________________________________________________________ Average electrode charge 1 = 0.00799673919 Average electrode charge 2 = -0.00799673919 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398359 -0.568954 -0.568564 ________________________________________________________________________ Electrode charge exchange: 0.0634118409 Move Jump Cl: 0.93473 0.36962 Na: 0.93372 0.36894 ________________________________________________________________________ Create NaCl : 49500. / 134818. = 0.36716 Destroy NaCl : 49518. / 135169. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 0.965160561 Potential at right wall /kT = -0.920209212 ------------------------------------------------------------------------ Potential at left wall /mV = 24.9502105 Potential at right wall /mV = -23.7881804 ________________________________________________________________________ Capacitance of left DL = 0.0481037323 Capacitance of right DL = 0.0504535541 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.00399111 Capacitance of right DL [F/m2] = 2.10188418 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.59526535 Adsorption of ion 1 on right wall = -5.96430502 Adsorption of ion 2 on left wall = -6.06036537 Adsorption of ion 2 on right wall = 6.13878648 ------------------------------------------------------------------------ net charge in left DL = -11.6556307 10.0035177 net charge in right DL = 12.1030915 -10.0035177 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.559329781 Relative adsorption of ion 1 on right wall = -0.596220771 Relative adsorption of ion 2 on left wall = -0.605823428 Relative adsorption of ion 2 on right wall = 0.613662781 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00723723782 Right electrode charge = -0.00723723782 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00076 Bulk concentration of Na = 0.99998 ________________________________________________________________________ Average electrode charge 1 = 0.00798961094 Average electrode charge 2 = -0.00798961094 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.399489 -0.568954 -0.569694 ________________________________________________________________________ Electrode charge exchange: 0.0633934949 Move Jump Cl: 0.93459 0.36979 Na: 0.93398 0.36861 ________________________________________________________________________ Create NaCl : 54936. / 149724. = 0.36692 Destroy NaCl : 54936. / 150151. = 0.36587 ________________________________________________________________________ Potential at left wall /kT = 1.00990318 Potential at right wall /kT = -0.958224346 ------------------------------------------------------------------------ Potential at left wall /mV = 26.1068448 Potential at right wall /mV = -24.7709035 ________________________________________________________________________ Capacitance of left DL = 0.0498980708 Capacitance of right DL = 0.0525891675 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.91520654 Capacitance of right DL [F/m2] = 2.01849723 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.71488441 Adsorption of ion 1 on right wall = -5.82915559 Adsorption of ion 2 on left wall = -6.06947166 Adsorption of ion 2 on right wall = 6.18431167 ------------------------------------------------------------------------ net charge in left DL = -11.7843561 10.8577015 net charge in right DL = 12.0134673 -10.8577015 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.526343848 Relative adsorption of ion 1 on right wall = -0.536868284 Relative adsorption of ion 2 on left wall = -0.55900152 Relative adsorption of ion 2 on right wall = 0.569578345 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00820506488 Right electrode charge = -0.00820506488 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00212 Bulk concentration of Na = 1.00173 ________________________________________________________________________ Average electrode charge 1 = 0.00795990495 Average electrode charge 2 = -0.00795990495 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.402589 -0.568954 -0.572793 ________________________________________________________________________ Electrode charge exchange: 0.063383787 Move Jump Cl: 0.93432 0.36958 Na: 0.93382 0.36823 ________________________________________________________________________ Create NaCl : 60431. / 164775. = 0.36675 Destroy NaCl : 60437. / 165053. = 0.36617 ________________________________________________________________________ Potential at left wall /kT = 1.03741886 Potential at right wall /kT = -0.978798786 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8181483 Potential at right wall /mV = -25.30277 ________________________________________________________________________ Capacitance of left DL = 0.0550704381 Capacitance of right DL = 0.0583685964 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.86440911 Capacitance of right DL [F/m2] = 1.97606823 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.47829766 Adsorption of ion 1 on right wall = -5.65017962 Adsorption of ion 2 on left wall = -6.3388545 Adsorption of ion 2 on right wall = 6.28068035 ------------------------------------------------------------------------ net charge in left DL = -11.8171522 12.3096888 net charge in right DL = 11.93086 -12.3096888 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.445039491 Relative adsorption of ion 1 on right wall = -0.459002636 Relative adsorption of ion 2 on left wall = -0.514948394 Relative adsorption of ion 2 on right wall = 0.510222512 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00890974614 Right electrode charge = -0.00890974614 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00092 Bulk concentration of Na = 1.00130 ________________________________________________________________________ Average electrode charge 1 = 0.00793182678 Average electrode charge 2 = -0.00793182678 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.400975 -0.568954 -0.571180 ________________________________________________________________________ Electrode charge exchange: 0.0633757536 Move Jump Cl: 0.93397 0.36988 Na: 0.93379 0.36849 ________________________________________________________________________ Create NaCl : 65889. / 179769. = 0.36652 Destroy NaCl : 65907. / 180038. = 0.36607 ________________________________________________________________________ Potential at left wall /kT = 0.868631997 Potential at right wall /kT = -0.810207218 ------------------------------------------------------------------------ Potential at left wall /mV = 22.4548661 Potential at right wall /mV = -20.9445365 ________________________________________________________________________ Capacitance of left DL = 0.0714200516 Capacitance of right DL = 0.0765702165 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.22668885 Capacitance of right DL [F/m2] = 2.38725741 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.73215397 Adsorption of ion 1 on right wall = -5.26271547 Adsorption of ion 2 on left wall = -6.03799932 Adsorption of ion 2 on right wall = 6.39533401 ------------------------------------------------------------------------ net charge in left DL = -11.7701533 13.3668903 net charge in right DL = 11.6580495 -13.3668903 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.428832273 Relative adsorption of ion 1 on right wall = -0.393712774 Relative adsorption of ion 2 on left wall = -0.451713089 Relative adsorption of ion 2 on right wall = 0.47844591 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00828101572 Right electrode charge = -0.00828101572 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00133 Bulk concentration of Na = 1.00139 ________________________________________________________________________ Average electrode charge 1 = 0.00791386607 Average electrode charge 2 = -0.00791386607 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.401465 -0.568954 -0.571670 ________________________________________________________________________ Electrode charge exchange: 0.0633761663 Move Jump Cl: 0.93406 0.36964 Na: 0.93396 0.36898 ________________________________________________________________________ Create NaCl : 71351. / 194866. = 0.36615 Destroy NaCl : 71362. / 194849. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.01879867 Potential at right wall /kT = -0.968284884 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3368005 Potential at right wall /mV = -25.0309768 ________________________________________________________________________ Capacitance of left DL = 0.0565960203 Capacitance of right DL = 0.0595485389 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.89848421 Capacitance of right DL [F/m2] = 1.99752492 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.68803253 Adsorption of ion 1 on right wall = -5.50464311 Adsorption of ion 2 on left wall = -6.11902355 Adsorption of ion 2 on right wall = 6.28338287 ------------------------------------------------------------------------ net charge in left DL = -11.8070561 12.4236345 net charge in right DL = 11.788026 -12.4236345 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.457839657 Relative adsorption of ion 1 on right wall = -0.443078322 Relative adsorption of ion 2 on left wall = -0.492530875 Relative adsorption of ion 2 on right wall = 0.505760443 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.010865905 Right electrode charge = -0.010865905 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00307 Bulk concentration of Na = 1.00255 ________________________________________________________________________ Average electrode charge 1 = 0.0078993233 Average electrode charge 2 = -0.0078993233 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.404362 -0.568954 -0.574567 ________________________________________________________________________ Electrode charge exchange: 0.0633384066 Move Jump Cl: 0.93407 0.36923 Na: 0.93395 0.36870 ________________________________________________________________________ Create NaCl : 76854. / 210026. = 0.36593 Destroy NaCl : 76859. / 209818. = 0.36631 ________________________________________________________________________ Potential at left wall /kT = 1.06390209 Potential at right wall /kT = -1.00975801 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5027618 Potential at right wall /mV = -26.1030918 ________________________________________________________________________ Capacitance of left DL = 0.071113965 Capacitance of right DL = 0.0749271564 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.81799924 Capacitance of right DL [F/m2] = 1.9154819 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.4544892 Adsorption of ion 1 on right wall = -5.41370842 Adsorption of ion 2 on left wall = -6.27701096 Adsorption of ion 2 on right wall = 6.47008428 ------------------------------------------------------------------------ net charge in left DL = -11.7315002 16.3016272 net charge in right DL = 11.8837927 -16.3016272 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.334597836 Relative adsorption of ion 1 on right wall = -0.332096198 Relative adsorption of ion 2 on left wall = -0.385054257 Relative adsorption of ion 2 on right wall = 0.396898063 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00777298718 Right electrode charge = -0.00777298718 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00275 Bulk concentration of Na = 1.00212 ________________________________________________________________________ Average electrode charge 1 = 0.0078744791 Average electrode charge 2 = -0.0078744791 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.403613 -0.568954 -0.573817 ________________________________________________________________________ Electrode charge exchange: 0.0633066427 Move Jump Cl: 0.93399 0.36894 Na: 0.93387 0.36874 ________________________________________________________________________ Create NaCl : 82451. / 225080. = 0.36632 Destroy NaCl : 82450. / 224808. = 0.36676 ________________________________________________________________________ Potential at left wall /kT = 1.00430575 Potential at right wall /kT = -0.95986736 ------------------------------------------------------------------------ Potential at left wall /mV = 25.9621465 Potential at right wall /mV = -24.8133768 ________________________________________________________________________ Capacitance of left DL = 0.0538905547 Capacitance of right DL = 0.0563854928 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.92588082 Capacitance of right DL [F/m2] = 2.01504215 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.54930826 Adsorption of ion 1 on right wall = -5.22270063 Adsorption of ion 2 on left wall = -6.0895206 Adsorption of ion 2 on right wall = 6.60274829 ------------------------------------------------------------------------ net charge in left DL = -11.6388289 11.6614621 net charge in right DL = 11.8254489 -11.6614621 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.47586728 Relative adsorption of ion 1 on right wall = -0.447859845 Relative adsorption of ion 2 on left wall = -0.52219186 Relative adsorption of ion 2 on right wall = 0.566202438 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00658903917 Right electrode charge = -0.00658903917 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00214 Bulk concentration of Na = 1.00175 ________________________________________________________________________ Average electrode charge 1 = 0.00787201069 Average electrode charge 2 = -0.00787201069 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.402636 -0.568954 -0.572840 ________________________________________________________________________ Electrode charge exchange: 0.0633124364 Move Jump Cl: 0.93381 0.36883 Na: 0.93387 0.36865 ________________________________________________________________________ Create NaCl : 87974. / 240060. = 0.36647 Destroy NaCl : 87990. / 239944. = 0.36671 ________________________________________________________________________ Potential at left wall /kT = 1.06929093 Potential at right wall /kT = -1.03090149 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6420678 Potential at right wall /mV = -26.6496685 ________________________________________________________________________ Capacitance of left DL = 0.0429058847 Capacitance of right DL = 0.0445036444 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.80883718 Capacitance of right DL [F/m2] = 1.87619594 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.74619095 Adsorption of ion 1 on right wall = -5.17295072 Adsorption of ion 2 on left wall = -5.97379341 Adsorption of ion 2 on right wall = 6.66091284 ------------------------------------------------------------------------ net charge in left DL = -11.7199844 9.88523833 net charge in right DL = 11.8338636 -9.88523833 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581290077 Relative adsorption of ion 1 on right wall = -0.523300556 Relative adsorption of ion 2 on left wall = -0.604314555 Relative adsorption of ion 2 on right wall = 0.673824203 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00754183216 Right electrode charge = -0.00754183216 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00114 Bulk concentration of Na = 1.00072 ________________________________________________________________________ Average electrode charge 1 = 0.00786415248 Average electrode charge 2 = -0.00786415248 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.400606 -0.568954 -0.570811 ________________________________________________________________________ Electrode charge exchange: 0.063321423 Move Jump Cl: 0.93395 0.36901 Na: 0.93378 0.36887 ________________________________________________________________________ Create NaCl : 93462. / 254951. = 0.36659 Destroy NaCl : 93477. / 254894. = 0.36673 ________________________________________________________________________ Potential at left wall /kT = 1.07170598 Potential at right wall /kT = -1.03887554 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7044989 Potential at right wall /mV = -26.8558044 ________________________________________________________________________ Capacitance of left DL = 0.0489995242 Capacitance of right DL = 0.0505480023 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.80476103 Capacitance of right DL [F/m2] = 1.86179491 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.75397798 Adsorption of ion 1 on right wall = -4.96924261 Adsorption of ion 2 on left wall = -5.95133833 Adsorption of ion 2 on right wall = 6.86024696 ------------------------------------------------------------------------ net charge in left DL = -11.7053163 11.3146707 net charge in right DL = 11.8294896 -11.3146707 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.508541357 Relative adsorption of ion 1 on right wall = -0.439185792 Relative adsorption of ion 2 on left wall = -0.525984228 Relative adsorption of ion 2 on right wall = 0.606314329 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00623762441 Right electrode charge = -0.00623762441 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00036 Bulk concentration of Na = 1.00039 ________________________________________________________________________ Average electrode charge 1 = 0.00782017668 Average electrode charge 2 = -0.00782017668 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.399498 -0.568954 -0.569703 ________________________________________________________________________ Electrode charge exchange: 0.0633069134 Move Jump Cl: 0.93414 0.36903 Na: 0.93394 0.36905 ________________________________________________________________________ Create NaCl : 99004. / 269948. = 0.36675 Destroy NaCl : 99007. / 269909. = 0.36682 ________________________________________________________________________ Potential at left wall /kT = 1.08355027 Potential at right wall /kT = -1.05169836 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0106837 Potential at right wall /mV = -27.1872852 ________________________________________________________________________ Capacitance of left DL = 0.0400830546 Capacitance of right DL = 0.0412970165 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.78503319 Capacitance of right DL [F/m2] = 1.83909499 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.81032612 Adsorption of ion 1 on right wall = -4.88001184 Adsorption of ion 2 on left wall = -5.90691542 Adsorption of ion 2 on right wall = 6.82637625 ------------------------------------------------------------------------ net charge in left DL = -11.7172415 9.35802662 net charge in right DL = 11.7063881 -9.35802662 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.620892241 Relative adsorption of ion 1 on right wall = -0.521478731 Relative adsorption of ion 2 on left wall = -0.631213787 Relative adsorption of ion 2 on right wall = 0.729467496 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00696990856 Right electrode charge = -0.00696990856 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00080 Bulk concentration of Na = 1.00115 ________________________________________________________________________ Average electrode charge 1 = 0.00782956799 Average electrode charge 2 = -0.00782956799 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.400701 -0.568954 -0.570906 ________________________________________________________________________ Electrode charge exchange: 0.0633275377 Move Jump Cl: 0.93405 0.36872 Na: 0.93386 0.36913 ________________________________________________________________________ Create NaCl : 104430. / 284918. = 0.36653 Destroy NaCl : 104419. / 284701. = 0.36677 ________________________________________________________________________ Potential at left wall /kT = 1.08252824 Potential at right wall /kT = -1.05701911 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9842635 Potential at right wall /mV = -27.3248311 ________________________________________________________________________ Capacitance of left DL = 0.0448310075 Capacitance of right DL = 0.0459129177 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.78671845 Capacitance of right DL [F/m2] = 1.82983747 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.77004398 Adsorption of ion 1 on right wall = -4.81838847 Adsorption of ion 2 on left wall = -6.00872394 Adsorption of ion 2 on right wall = 6.85739974 ------------------------------------------------------------------------ net charge in left DL = -11.7787679 10.4566395 net charge in right DL = 11.6757882 -10.4566395 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.551806723 Relative adsorption of ion 1 on right wall = -0.460797034 Relative adsorption of ion 2 on left wall = -0.574632408 Relative adsorption of ion 2 on right wall = 0.655793837 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0069601648 Right electrode charge = -0.0069601648 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00139 Bulk concentration of Na = 1.00168 ________________________________________________________________________ Average electrode charge 1 = 0.00779707624 Average electrode charge 2 = -0.00779707624 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.401818 -0.568954 -0.572023 ________________________________________________________________________ Electrode charge exchange: 0.0633293492 Move Jump Cl: 0.93401 0.36854 Na: 0.93399 0.36908 ________________________________________________________________________ Create NaCl : 109838. / 299801. = 0.36637 Destroy NaCl : 109839. / 299531. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 1.09789262 Potential at right wall /kT = -1.07388385 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3814455 Potential at right wall /mV = -27.7607987 ________________________________________________________________________ Capacitance of left DL = 0.0441418276 Capacitance of right DL = 0.0451287044 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.76171435 Capacitance of right DL [F/m2] = 1.80110092 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.82990218 Adsorption of ion 1 on right wall = -4.96056949 Adsorption of ion 2 on left wall = -5.90373021 Adsorption of ion 2 on right wall = 6.68904646 ------------------------------------------------------------------------ net charge in left DL = -11.7336324 10.4420214 net charge in right DL = 11.6496159 -10.4420214 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.558311649 Relative adsorption of ion 1 on right wall = -0.475058354 Relative adsorption of ion 2 on left wall = -0.565381931 Relative adsorption of ion 2 on right wall = 0.640589232 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00716140341 Right electrode charge = -0.00716140341 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00132 Bulk concentration of Na = 1.00153 ________________________________________________________________________ Average electrode charge 1 = 0.00778008649 Average electrode charge 2 = -0.00778008649 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.401600 -0.568954 -0.571805 ________________________________________________________________________ Electrode charge exchange: 0.0633186347 Move Jump Cl: 0.93394 0.36857 Na: 0.93404 0.36891 ________________________________________________________________________ Create NaCl : 115319. / 314915. = 0.36619 Destroy NaCl : 115309. / 314426. = 0.36673 ________________________________________________________________________ Potential at left wall /kT = 1.07226351 Potential at right wall /kT = -1.04536095 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7189115 Potential at right wall /mV = -27.0234579 ________________________________________________________________________ Capacitance of left DL = 0.0465036741 Capacitance of right DL = 0.0477004546 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.80382264 Capacitance of right DL [F/m2] = 1.85024434 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.80049351 Adsorption of ion 1 on right wall = -4.86024142 Adsorption of ion 2 on left wall = -5.87852025 Adsorption of ion 2 on right wall = 6.75646546 ------------------------------------------------------------------------ net charge in left DL = -11.6790138 10.7439306 net charge in right DL = 11.6167069 -10.7439306 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.539885608 Relative adsorption of ion 1 on right wall = -0.452370887 Relative adsorption of ion 2 on left wall = -0.547148011 Relative adsorption of ion 2 on right wall = 0.628863469 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00935370222 Right electrode charge = -0.00935370222 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00104 Bulk concentration of Na = 1.00125 ________________________________________________________________________ Average electrode charge 1 = 0.00780907894 Average electrode charge 2 = -0.00780907894 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.401032 -0.568954 -0.571237 ________________________________________________________________________ Electrode charge exchange: 0.0633108967 Move Jump Cl: 0.93386 0.36855 Na: 0.93395 0.36879 ________________________________________________________________________ Create NaCl : 120637. / 329739. = 0.36586 Destroy NaCl : 120654. / 329417. = 0.36627 ________________________________________________________________________ Potential at left wall /kT = 1.03888841 Potential at right wall /kT = -1.02334809 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8561371 Potential at right wall /mV = -26.454407 ________________________________________________________________________ Capacitance of left DL = 0.0626910138 Capacitance of right DL = 0.0636430241 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.86177185 Capacitance of right DL [F/m2] = 1.89004426 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11494788 Adsorption of ion 1 on right wall = -4.99728318 Adsorption of ion 2 on left wall = -5.58479243 Adsorption of ion 2 on right wall = 6.64136136 ------------------------------------------------------------------------ net charge in left DL = -11.6997403 14.0329376 net charge in right DL = 11.6386445 -14.0329376 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.435756792 Relative adsorption of ion 1 on right wall = -0.356110981 Relative adsorption of ion 2 on left wall = -0.397977428 Relative adsorption of ion 2 on right wall = 0.473269499 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00978665596 Right electrode charge = -0.00978665596 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 326 -1.00 3.0000 1.5000 Na ion: 326 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00144 Bulk concentration of Na = 1.00156 ________________________________________________________________________ Average electrode charge 1 = 0.00779896095 Average electrode charge 2 = -0.00779896095 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.401745 -0.568954 -0.571949 ________________________________________________________________________ Electrode charge exchange: 0.0633116425 Move Jump Cl: 0.93383 0.36832 Na: 0.93382 0.36904 ________________________________________________________________________ Create NaCl : 126085. / 344741. = 0.36574 Destroy NaCl : 126059. / 344454. = 0.36597 ________________________________________________________________________ Potential at left wall /kT = 1.04828326 Potential at right wall /kT = -1.03720833 ------------------------------------------------------------------------ Potential at left wall /mV = 27.099002 Potential at right wall /mV = -26.8127057 ________________________________________________________________________ Capacitance of left DL = 0.0650049342 Capacitance of right DL = 0.0656990333 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.8450864 Capacitance of right DL [F/m2] = 1.86478756 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.12208465 Adsorption of ion 1 on right wall = -5.06089144 Adsorption of ion 2 on left wall = -5.55870876 Adsorption of ion 2 on right wall = 6.58357892 ------------------------------------------------------------------------ net charge in left DL = -11.6807934 14.6824786 net charge in right DL = 11.6444704 -14.6824786 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.416965338 Relative adsorption of ion 1 on right wall = -0.344689175 Relative adsorption of ion 2 on left wall = -0.378594712 Relative adsorption of ion 2 on right wall = 0.44839697 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00582090515 Right electrode charge = -0.00582090515 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00075 Bulk concentration of Na = 1.00077 ________________________________________________________________________ Average electrode charge 1 = 0.00780393343 Average electrode charge 2 = -0.00780393343 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.400265 -0.568954 -0.570470 ________________________________________________________________________ Electrode charge exchange: 0.063309846 Move Jump Cl: 0.93398 0.36842 Na: 0.93394 0.36935 ________________________________________________________________________ Create NaCl : 131738. / 359624. = 0.36632 Destroy NaCl : 131735. / 359635. = 0.36630 ________________________________________________________________________ Potential at left wall /kT = 1.02409545 Potential at right wall /kT = -1.01739631 ------------------------------------------------------------------------ Potential at left wall /mV = 26.4737267 Potential at right wall /mV = -26.3005483 ________________________________________________________________________ Capacitance of left DL = 0.0395768058 Capacitance of right DL = 0.0398374029 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.88866496 Capacitance of right DL [F/m2] = 1.90110105 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11179483 Adsorption of ion 1 on right wall = -4.98799892 Adsorption of ion 2 on left wall = -5.54525895 Adsorption of ion 2 on right wall = 6.66276813 ------------------------------------------------------------------------ net charge in left DL = -11.6570538 8.73284149 net charge in right DL = 11.650767 -8.73284149 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.69986325 Relative adsorption of ion 1 on right wall = -0.571177081 Relative adsorption of ion 2 on left wall = -0.634989076 Relative adsorption of ion 2 on right wall = 0.762955349 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00826152746 Right electrode charge = -0.00826152746 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99977 Bulk concentration of Na = 0.99986 ________________________________________________________________________ Average electrode charge 1 = 0.00778767068 Average electrode charge 2 = -0.00778767068 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398377 -0.568954 -0.568581 ________________________________________________________________________ Electrode charge exchange: 0.0633167412 Move Jump Cl: 0.93406 0.36843 Na: 0.93405 0.36975 ________________________________________________________________________ Create NaCl : 137159. / 374337. = 0.36641 Destroy NaCl : 137185. / 374745. = 0.36608 ________________________________________________________________________ Potential at left wall /kT = 1.05556559 Potential at right wall /kT = -1.04813727 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2872564 Potential at right wall /mV = -27.095228 ________________________________________________________________________ Capacitance of left DL = 0.0544961446 Capacitance of right DL = 0.0548823678 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.83235718 Capacitance of right DL [F/m2] = 1.84534339 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.9941379 Adsorption of ion 1 on right wall = -4.95401543 Adsorption of ion 2 on left wall = -5.6701526 Adsorption of ion 2 on right wall = 6.6854754 ------------------------------------------------------------------------ net charge in left DL = -11.6642905 12.3943971 net charge in right DL = 11.6394908 -12.3943971 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.483616739 Relative adsorption of ion 1 on right wall = -0.399697977 Relative adsorption of ion 2 on left wall = -0.457477081 Relative adsorption of ion 2 on right wall = 0.539394966 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00981708707 Right electrode charge = -0.00981708707 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99913 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00776014272 Average electrode charge 2 = -0.00776014272 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396988 -0.568954 -0.567192 ________________________________________________________________________ Electrode charge exchange: 0.0633191331 Move Jump Cl: 0.93408 0.36847 Na: 0.93409 0.36965 ________________________________________________________________________ Create NaCl : 142629. / 389219. = 0.36645 Destroy NaCl : 142623. / 389698. = 0.36598 ________________________________________________________________________ Potential at left wall /kT = 1.0406342 Potential at right wall /kT = -1.03903107 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9012674 Potential at right wall /mV = -26.859825 ________________________________________________________________________ Capacitance of left DL = 0.0656863605 Capacitance of right DL = 0.065787709 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.85864849 Capacitance of right DL [F/m2] = 1.86151622 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.91659965 Adsorption of ion 1 on right wall = -4.80896573 Adsorption of ion 2 on left wall = -5.68409421 Adsorption of ion 2 on right wall = 6.79815451 ------------------------------------------------------------------------ net charge in left DL = -11.6006939 14.728133 net charge in right DL = 11.6071202 -14.728133 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.401720954 Relative adsorption of ion 1 on right wall = -0.326515637 Relative adsorption of ion 2 on left wall = -0.38593447 Relative adsorption of ion 2 on right wall = 0.461576121 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00738273212 Right electrode charge = -0.00738273212 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 315 -1.00 3.0000 1.5000 Na ion: 315 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99899 Bulk concentration of Na = 0.99890 ________________________________________________________________________ Average electrode charge 1 = 0.00775387144 Average electrode charge 2 = -0.00775387144 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396641 -0.568954 -0.566846 ________________________________________________________________________ Electrode charge exchange: 0.0633279782 Move Jump Cl: 0.93413 0.36844 Na: 0.93403 0.36972 ________________________________________________________________________ Create NaCl : 148069. / 404078. = 0.36644 Destroy NaCl : 148054. / 404648. = 0.36588 ________________________________________________________________________ Potential at left wall /kT = 1.05960443 Potential at right wall /kT = -1.06255336 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3916637 Potential at right wall /mV = -27.467896 ________________________________________________________________________ Capacitance of left DL = 0.0485136554 Capacitance of right DL = 0.0483790142 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82537288 Capacitance of right DL [F/m2] = 1.82030688 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.9589952 Adsorption of ion 1 on right wall = -4.83176097 Adsorption of ion 2 on left wall = -5.63721824 Adsorption of ion 2 on right wall = 6.79103053 ------------------------------------------------------------------------ net charge in left DL = -11.5962134 11.0759801 net charge in right DL = 11.6227915 -11.0759801 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.538010647 Relative adsorption of ion 1 on right wall = -0.436237781 Relative adsorption of ion 2 on left wall = -0.508958864 Relative adsorption of ion 2 on right wall = 0.613131342 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00872418519 Right electrode charge = -0.00872418519 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99834 ________________________________________________________________________ Average electrode charge 1 = 0.00779063662 Average electrode charge 2 = -0.00779063662 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395501 -0.568954 -0.565706 ________________________________________________________________________ Electrode charge exchange: 0.0633224442 Move Jump Cl: 0.93409 0.36843 Na: 0.93402 0.36961 ________________________________________________________________________ Create NaCl : 153642. / 418926. = 0.36675 Destroy NaCl : 153649. / 419719. = 0.36608 ________________________________________________________________________ Potential at left wall /kT = 1.04479729 Potential at right wall /kT = -1.04745776 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0088867 Potential at right wall /mV = -27.077662 ________________________________________________________________________ Capacitance of left DL = 0.0581411331 Capacitance of right DL = 0.0579934589 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.85124254 Capacitance of right DL [F/m2] = 1.84654052 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.01113446 Adsorption of ion 1 on right wall = -4.75398102 Adsorption of ion 2 on left wall = -5.62744165 Adsorption of ion 2 on right wall = 6.90891192 ------------------------------------------------------------------------ net charge in left DL = -11.6385761 13.0885016 net charge in right DL = 11.6628929 -13.0885016 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.459268344 Relative adsorption of ion 1 on right wall = -0.363218125 Relative adsorption of ion 2 on left wall = -0.429953085 Relative adsorption of ion 2 on right wall = 0.527861181 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102175421 Right electrode charge = -0.0102175421 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99811 Bulk concentration of Na = 0.99796 ________________________________________________________________________ Average electrode charge 1 = 0.00778224685 Average electrode charge 2 = -0.00778224685 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394822 -0.568954 -0.565027 ________________________________________________________________________ Electrode charge exchange: 0.0633248103 Move Jump Cl: 0.93421 0.36844 Na: 0.93417 0.36960 ________________________________________________________________________ Create NaCl : 159260. / 433829. = 0.36710 Destroy NaCl : 159269. / 434904. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.01019645 Potential at right wall /kT = -1.01688392 ------------------------------------------------------------------------ Potential at left wall /mV = 26.1144261 Potential at right wall /mV = -26.2873028 ________________________________________________________________________ Capacitance of left DL = 0.0704257128 Capacitance of right DL = 0.0699625626 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.91465054 Capacitance of right DL [F/m2] = 1.90205897 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.98123861 Adsorption of ion 1 on right wall = -4.79652231 Adsorption of ion 2 on left wall = -5.61228585 Adsorption of ion 2 on right wall = 6.84013944 ------------------------------------------------------------------------ net charge in left DL = -11.5935245 15.3289177 net charge in right DL = 11.6366617 -15.3289177 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.390193145 Relative adsorption of ion 1 on right wall = -0.312906782 Relative adsorption of ion 2 on left wall = -0.366124077 Relative adsorption of ion 2 on right wall = 0.446224552 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0077825059 Right electrode charge = -0.0077825059 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99704 Bulk concentration of Na = 0.99722 ________________________________________________________________________ Average electrode charge 1 = 0.00780341096 Average electrode charge 2 = -0.00780341096 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393005 -0.568954 -0.563209 ________________________________________________________________________ Electrode charge exchange: 0.063328916 Move Jump Cl: 0.93428 0.36849 Na: 0.93425 0.36983 ________________________________________________________________________ Create NaCl : 164847. / 448920. = 0.36721 Destroy NaCl : 164844. / 449967. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.00729002 Potential at right wall /kT = -1.01602835 ------------------------------------------------------------------------ Potential at left wall /mV = 26.0392924 Potential at right wall /mV = -26.2651854 ________________________________________________________________________ Capacitance of left DL = 0.053796693 Capacitance of right DL = 0.0533340159 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.92017507 Capacitance of right DL [F/m2] = 1.90366065 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11359578 Adsorption of ion 1 on right wall = -4.768372 Adsorption of ion 2 on left wall = -5.55806919 Adsorption of ion 2 on right wall = 6.84910525 ------------------------------------------------------------------------ net charge in left DL = -11.671665 11.6757426 net charge in right DL = 11.6174773 -11.6757426 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.523615153 Relative adsorption of ion 1 on right wall = -0.408399889 Relative adsorption of ion 2 on left wall = -0.476035603 Relative adsorption of ion 2 on right wall = 0.586609817 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00758036263 Right electrode charge = -0.00758036263 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99707 Bulk concentration of Na = 0.99721 ________________________________________________________________________ Average electrode charge 1 = 0.00779744924 Average electrode charge 2 = -0.00779744924 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393021 -0.568954 -0.563225 ________________________________________________________________________ Electrode charge exchange: 0.0633129254 Move Jump Cl: 0.93419 0.36857 Na: 0.93434 0.36969 ________________________________________________________________________ Create NaCl : 170392. / 463844. = 0.36735 Destroy NaCl : 170404. / 465001. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 0.983892825 Potential at right wall /kT = -0.9976971 ------------------------------------------------------------------------ Potential at left wall /mV = 25.4344552 Potential at right wall /mV = -25.7913073 ________________________________________________________________________ Capacitance of left DL = 0.0536454436 Capacitance of right DL = 0.0529031979 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.96583727 Capacitance of right DL [F/m2] = 1.93863767 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11844949 Adsorption of ion 1 on right wall = -4.83767256 Adsorption of ion 2 on left wall = -5.52289078 Adsorption of ion 2 on right wall = 6.76060438 ------------------------------------------------------------------------ net charge in left DL = -11.6413403 11.3724762 net charge in right DL = 11.5982769 -11.3724762 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.538005037 Relative adsorption of ion 1 on right wall = -0.425384276 Relative adsorption of ion 2 on left wall = -0.485636609 Relative adsorption of ion 2 on right wall = 0.594470743 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00521623163 Right electrode charge = -0.00521623163 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99737 Bulk concentration of Na = 0.99736 ________________________________________________________________________ Average electrode charge 1 = 0.00781034747 Average electrode charge 2 = -0.00781034747 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393470 -0.568954 -0.563674 ________________________________________________________________________ Electrode charge exchange: 0.0633172889 Move Jump Cl: 0.93420 0.36863 Na: 0.93446 0.36973 ________________________________________________________________________ Create NaCl : 175875. / 478831. = 0.36730 Destroy NaCl : 175881. / 479994. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 0.977831943 Potential at right wall /kT = -0.989826932 ------------------------------------------------------------------------ Potential at left wall /mV = 25.2777763 Potential at right wall /mV = -25.5878568 ________________________________________________________________________ Capacitance of left DL = 0.0371435407 Capacitance of right DL = 0.0366934253 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.97802209 Capacitance of right DL [F/m2] = 1.95405189 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.14912489 Adsorption of ion 1 on right wall = -4.91831678 Adsorption of ion 2 on left wall = -5.48141348 Adsorption of ion 2 on right wall = 6.71498027 ------------------------------------------------------------------------ net charge in left DL = -11.6305384 7.82567708 net charge in right DL = 11.633297 -7.82567708 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.785762666 Relative adsorption of ion 1 on right wall = -0.628484503 Relative adsorption of ion 2 on left wall = -0.700439518 Relative adsorption of ion 2 on right wall = 0.858070196 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00888365771 Right electrode charge = -0.00888365771 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 273 -1.00 3.0000 1.5000 Na ion: 273 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99713 Bulk concentration of Na = 0.99709 ________________________________________________________________________ Average electrode charge 1 = 0.00782700928 Average electrode charge 2 = -0.00782700928 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.392957 -0.568954 -0.563161 ________________________________________________________________________ Electrode charge exchange: 0.0633266416 Move Jump Cl: 0.93421 0.36885 Na: 0.93429 0.36987 ________________________________________________________________________ Create NaCl : 181392. / 493714. = 0.36740 Destroy NaCl : 181419. / 495017. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.0049853 Potential at right wall /kT = -1.0193251 ------------------------------------------------------------------------ Potential at left wall /mV = 25.9797134 Potential at right wall /mV = -26.3504094 ________________________________________________________________________ Capacitance of left DL = 0.0615492492 Capacitance of right DL = 0.0606833781 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.92457858 Capacitance of right DL [F/m2] = 1.89750373 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.18858881 Adsorption of ion 1 on right wall = -4.96275664 Adsorption of ion 2 on left wall = -5.48026664 Adsorption of ion 2 on right wall = 6.7194081 ------------------------------------------------------------------------ net charge in left DL = -11.6688555 13.3277511 net charge in right DL = 11.6821647 -13.3277511 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.464338566 Relative adsorption of ion 1 on right wall = -0.372362646 Relative adsorption of ion 2 on left wall = -0.411192152 Relative adsorption of ion 2 on right wall = 0.504166688 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00781913406 Right electrode charge = -0.00781913406 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99689 Bulk concentration of Na = 0.99705 ________________________________________________________________________ Average electrode charge 1 = 0.00783293449 Average electrode charge 2 = -0.00783293449 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.392681 -0.568954 -0.562886 ________________________________________________________________________ Electrode charge exchange: 0.0633579426 Move Jump Cl: 0.93422 0.36885 Na: 0.93430 0.36971 ________________________________________________________________________ Create NaCl : 186869. / 508795. = 0.36728 Destroy NaCl : 186885. / 510053. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.0169999 Potential at right wall /kT = -1.03060255 ------------------------------------------------------------------------ Potential at left wall /mV = 26.2903009 Potential at right wall /mV = -26.6419408 ________________________________________________________________________ Capacitance of left DL = 0.0535338405 Capacitance of right DL = 0.0528272617 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.90184206 Capacitance of right DL [F/m2] = 1.87674015 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.22945383 Adsorption of ion 1 on right wall = -4.97541921 Adsorption of ion 2 on left wall = -5.4858867 Adsorption of ion 2 on right wall = 6.69326281 ------------------------------------------------------------------------ net charge in left DL = -11.7153405 11.7306942 net charge in right DL = 11.668682 -11.7306942 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.531038804 Relative adsorption of ion 1 on right wall = -0.424136808 Relative adsorption of ion 2 on left wall = -0.467652348 Relative adsorption of ion 2 on right wall = 0.570576871 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102306849 Right electrode charge = -0.0102306849 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99687 Bulk concentration of Na = 0.99695 ________________________________________________________________________ Average electrode charge 1 = 0.00783224655 Average electrode charge 2 = -0.00783224655 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.392555 -0.568954 -0.562760 ________________________________________________________________________ Electrode charge exchange: 0.0633623398 Move Jump Cl: 0.93425 0.36897 Na: 0.93435 0.36985 ________________________________________________________________________ Create NaCl : 192390. / 523679. = 0.36738 Destroy NaCl : 192389. / 525083. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.01732381 Potential at right wall /kT = -1.03006264 ------------------------------------------------------------------------ Potential at left wall /mV = 26.2986741 Potential at right wall /mV = -26.6279836 ________________________________________________________________________ Capacitance of left DL = 0.0700222646 Capacitance of right DL = 0.0691562962 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.90123653 Capacitance of right DL [F/m2] = 1.87772385 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.15195523 Adsorption of ion 1 on right wall = -4.8974281 Adsorption of ion 2 on left wall = -5.54990557 Adsorption of ion 2 on right wall = 6.7821149 ------------------------------------------------------------------------ net charge in left DL = -11.7018608 15.3486351 net charge in right DL = 11.679543 -15.3486351 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.400814481 Relative adsorption of ion 1 on right wall = -0.319079062 Relative adsorption of ion 2 on left wall = -0.361589517 Relative adsorption of ion 2 on right wall = 0.441870879 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0065754795 Right electrode charge = -0.0065754795 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99703 Bulk concentration of Na = 0.99706 ________________________________________________________________________ Average electrode charge 1 = 0.00780218121 Average electrode charge 2 = -0.00780218121 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.392835 -0.568954 -0.563040 ________________________________________________________________________ Electrode charge exchange: 0.0633595431 Move Jump Cl: 0.93424 0.36896 Na: 0.93433 0.36980 ________________________________________________________________________ Create NaCl : 197961. / 538738. = 0.36745 Destroy NaCl : 197963. / 539937. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 0.998404711 Potential at right wall /kT = -1.01392521 ------------------------------------------------------------------------ Potential at left wall /mV = 25.8095996 Potential at right wall /mV = -26.2108175 ________________________________________________________________________ Capacitance of left DL = 0.0458576145 Capacitance of right DL = 0.0451556564 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.93726368 Capacitance of right DL [F/m2] = 1.90760933 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.1097568 Adsorption of ion 1 on right wall = -4.97546125 Adsorption of ion 2 on left wall = -5.53155152 Adsorption of ion 2 on right wall = 6.65557209 ------------------------------------------------------------------------ net charge in left DL = -11.6413083 9.86489537 net charge in right DL = 11.6310333 -9.86489537 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.619343295 Relative adsorption of ion 1 on right wall = -0.504360266 Relative adsorption of ion 2 on left wall = -0.560730887 Relative adsorption of ion 2 on right wall = 0.674672345 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0071025038 Right electrode charge = -0.0071025038 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99672 Bulk concentration of Na = 0.99690 ________________________________________________________________________ Average electrode charge 1 = 0.00780163457 Average electrode charge 2 = -0.00780163457 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.392363 -0.568954 -0.562568 ________________________________________________________________________ Electrode charge exchange: 0.0633470664 Move Jump Cl: 0.93422 0.36903 Na: 0.93437 0.36999 ________________________________________________________________________ Create NaCl : 203513. / 553748. = 0.36752 Destroy NaCl : 203525. / 554884. = 0.36679 ________________________________________________________________________ Potential at left wall /kT = 1.02356546 Potential at right wall /kT = -1.03827567 ------------------------------------------------------------------------ Potential at left wall /mV = 26.460026 Potential at right wall /mV = -26.8402974 ________________________________________________________________________ Capacitance of left DL = 0.0483155032 Capacitance of right DL = 0.0476309726 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.88964289 Capacitance of right DL [F/m2] = 1.86287056 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.17006066 Adsorption of ion 1 on right wall = -5.00313754 Adsorption of ion 2 on left wall = -5.51043696 Adsorption of ion 2 on right wall = 6.62323511 ------------------------------------------------------------------------ net charge in left DL = -11.6804976 10.6555662 net charge in right DL = 11.6263726 -10.6555662 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.579045784 Relative adsorption of ion 1 on right wall = -0.469532774 Relative adsorption of ion 2 on left wall = -0.51714164 Relative adsorption of ion 2 on right wall = 0.621575147 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00598564924 Right electrode charge = -0.00598564924 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99676 Bulk concentration of Na = 0.99704 ________________________________________________________________________ Average electrode charge 1 = 0.00780376115 Average electrode charge 2 = -0.00780376115 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.392548 -0.568954 -0.562753 ________________________________________________________________________ Electrode charge exchange: 0.0633535035 Move Jump Cl: 0.93431 0.36908 Na: 0.93433 0.36974 ________________________________________________________________________ Create NaCl : 209029. / 568867. = 0.36745 Destroy NaCl : 209045. / 570008. = 0.36674 ________________________________________________________________________ Potential at left wall /kT = 1.04175389 Potential at right wall /kT = -1.05317839 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9302124 Potential at right wall /mV = -27.2255453 ________________________________________________________________________ Capacitance of left DL = 0.0400070735 Capacitance of right DL = 0.0395730911 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.85665079 Capacitance of right DL [F/m2] = 1.8365105 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11367479 Adsorption of ion 1 on right wall = -5.03195021 Adsorption of ion 2 on left wall = -5.59620153 Adsorption of ion 2 on right wall = 6.59581908 ------------------------------------------------------------------------ net charge in left DL = -11.7098763 8.97999962 net charge in right DL = 11.6277693 -8.97999962 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.680810138 Relative adsorption of ion 1 on right wall = -0.560350827 Relative adsorption of ion 2 on left wall = -0.623185052 Relative adsorption of ion 2 on right wall = 0.734501042 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00582093819 Right electrode charge = -0.00582093819 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99716 Bulk concentration of Na = 0.99735 ________________________________________________________________________ Average electrode charge 1 = 0.00779536056 Average electrode charge 2 = -0.00779536056 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393257 -0.568954 -0.563462 ________________________________________________________________________ Electrode charge exchange: 0.0633552761 Move Jump Cl: 0.93431 0.36904 Na: 0.93437 0.36976 ________________________________________________________________________ Create NaCl : 214500. / 583917. = 0.36735 Destroy NaCl : 214503. / 584938. = 0.36671 ________________________________________________________________________ Potential at left wall /kT = 1.03245731 Potential at right wall /kT = -1.04631224 ------------------------------------------------------------------------ Potential at left wall /mV = 26.689888 Potential at right wall /mV = -27.0480495 ________________________________________________________________________ Capacitance of left DL = 0.0392564963 Capacitance of right DL = 0.0387366745 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.87336867 Capacitance of right DL [F/m2] = 1.84856213 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.1167961 Adsorption of ion 1 on right wall = -5.07217527 Adsorption of ion 2 on left wall = -5.56193895 Adsorption of ion 2 on right wall = 6.55095122 ------------------------------------------------------------------------ net charge in left DL = -11.6787351 8.73289107 net charge in right DL = 11.6231265 -8.73289107 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.70043197 Relative adsorption of ion 1 on right wall = -0.58081284 Relative adsorption of ion 2 on left wall = -0.636895491 Relative adsorption of ion 2 on right wall = 0.750146906 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00736348419 Right electrode charge = -0.00736348419 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99774 Bulk concentration of Na = 0.99787 ________________________________________________________________________ Average electrode charge 1 = 0.00779489852 Average electrode charge 2 = -0.00779489852 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394353 -0.568954 -0.564558 ________________________________________________________________________ Electrode charge exchange: 0.0633633676 Move Jump Cl: 0.93429 0.36896 Na: 0.93443 0.36967 ________________________________________________________________________ Create NaCl : 220026. / 599143. = 0.36723 Destroy NaCl : 220020. / 600046. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.03657946 Potential at right wall /kT = -1.04596536 ------------------------------------------------------------------------ Potential at left wall /mV = 26.796449 Potential at right wall /mV = -27.0390824 ________________________________________________________________________ Capacitance of left DL = 0.0494619702 Capacitance of right DL = 0.0490181265 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.86591888 Capacitance of right DL [F/m2] = 1.84917518 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.10482612 Adsorption of ion 1 on right wall = -5.0488918 Adsorption of ion 2 on left wall = -5.56468165 Adsorption of ion 2 on right wall = 6.58365043 ------------------------------------------------------------------------ net charge in left DL = -11.6695078 11.0471033 net charge in right DL = 11.6325422 -11.0471033 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.552617819 Relative adsorption of ion 1 on right wall = -0.457033095 Relative adsorption of ion 2 on left wall = -0.50372315 Relative adsorption of ion 2 on right wall = 0.595961699 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 205------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0079134175 Right electrode charge = -0.0079134175 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99754 Bulk concentration of Na = 0.99766 ________________________________________________________________________ Average electrode charge 1 = 0.00779819996 Average electrode charge 2 = -0.00779819996 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393946 -0.568954 -0.564151 ________________________________________________________________________ Electrode charge exchange: 0.0633505455 Move Jump Cl: 0.93433 0.36896 Na: 0.93436 0.36965 ________________________________________________________________________ Create NaCl : 225553. / 614224. = 0.36722 Destroy NaCl : 225563. / 615180. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06187998 Potential at right wall /kT = -1.07325393 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4504887 Potential at right wall /mV = -27.7445147 ________________________________________________________________________ Capacitance of left DL = 0.0518894775 Capacitance of right DL = 0.0513395723 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.8214612 Capacitance of right DL [F/m2] = 1.80215803 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.21896408 Adsorption of ion 1 on right wall = -5.11435381 Adsorption of ion 2 on left wall = -5.47447461 Adsorption of ion 2 on right wall = 6.54230588 ------------------------------------------------------------------------ net charge in left DL = -11.6934387 11.8721434 net charge in right DL = 11.6566597 -11.8721434 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.523828247 Relative adsorption of ion 1 on right wall = -0.430786053 Relative adsorption of ion 2 on left wall = -0.461119312 Relative adsorption of ion 2 on right wall = 0.551063582 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 210------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00956083056 Right electrode charge = -0.00956083056 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99757 Bulk concentration of Na = 0.99771 ________________________________________________________________________ Average electrode charge 1 = 0.00777916067 Average electrode charge 2 = -0.00777916067 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394025 -0.568954 -0.564230 ________________________________________________________________________ Electrode charge exchange: 0.0633439033 Move Jump Cl: 0.93428 0.36894 Na: 0.93436 0.36956 ________________________________________________________________________ Create NaCl : 231039. / 629116. = 0.36724 Destroy NaCl : 231033. / 630219. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.06013609 Potential at right wall /kT = -1.07045957 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4054076 Potential at right wall /mV = -27.6722783 ________________________________________________________________________ Capacitance of left DL = 0.0627949407 Capacitance of right DL = 0.062189348 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82445745 Capacitance of right DL [F/m2] = 1.80686243 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.22700505 Adsorption of ion 1 on right wall = -5.08983106 Adsorption of ion 2 on left wall = -5.44100275 Adsorption of ion 2 on right wall = 6.53471749 ------------------------------------------------------------------------ net charge in left DL = -11.6680078 14.3436829 net charge in right DL = 11.6245485 -14.3436829 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.434128743 Relative adsorption of ion 1 on right wall = -0.354848269 Relative adsorption of ion 2 on left wall = -0.379330941 Relative adsorption of ion 2 on right wall = 0.455581563 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 215------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00856173702 Right electrode charge = -0.00856173702 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99815 Bulk concentration of Na = 0.99824 ________________________________________________________________________ Average electrode charge 1 = 0.00777597492 Average electrode charge 2 = -0.00777597492 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395141 -0.568954 -0.565346 ________________________________________________________________________ Electrode charge exchange: 0.0633268453 Move Jump Cl: 0.93434 0.36892 Na: 0.93439 0.36955 ________________________________________________________________________ Create NaCl : 236407. / 644118. = 0.36702 Destroy NaCl : 236394. / 644964. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.08661807 Potential at right wall /kT = -1.09723182 ------------------------------------------------------------------------ Potential at left wall /mV = 28.089989 Potential at right wall /mV = -28.3643634 ________________________________________________________________________ Capacitance of left DL = 0.0548625026 Capacitance of right DL = 0.0543318062 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.77999358 Capacitance of right DL [F/m2] = 1.76277533 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.20502819 Adsorption of ion 1 on right wall = -5.072866 Adsorption of ion 2 on left wall = -5.46930865 Adsorption of ion 2 on right wall = 6.57417469 ------------------------------------------------------------------------ net charge in left DL = -11.6743368 12.844788 net charge in right DL = 11.6470407 -12.844788 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.48307751 Relative adsorption of ion 1 on right wall = -0.394935753 Relative adsorption of ion 2 on left wall = -0.425799839 Relative adsorption of ion 2 on right wall = 0.511816521 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 220------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00607730109 Right electrode charge = -0.00607730109 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99802 Bulk concentration of Na = 0.99807 ________________________________________________________________________ Average electrode charge 1 = 0.0077816203 Average electrode charge 2 = -0.0077816203 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394837 -0.568954 -0.565041 ________________________________________________________________________ Electrode charge exchange: 0.0633576097 Move Jump Cl: 0.93433 0.36906 Na: 0.93436 0.36950 ________________________________________________________________________ Create NaCl : 241885. / 659132. = 0.36698 Destroy NaCl : 241884. / 659923. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.08447826 Potential at right wall /kT = -1.09364791 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0346732 Potential at right wall /mV = -28.2717164 ________________________________________________________________________ Capacitance of left DL = 0.0390193971 Capacitance of right DL = 0.0386922404 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.78350572 Capacitance of right DL [F/m2] = 1.76855198 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.25723566 Adsorption of ion 1 on right wall = -5.06768858 Adsorption of ion 2 on left wall = -5.41779876 Adsorption of ion 2 on right wall = 6.5912429 ------------------------------------------------------------------------ net charge in left DL = -11.6750344 9.11750077 net charge in right DL = 11.6589315 -9.11750077 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.686288471 Relative adsorption of ion 1 on right wall = -0.555819924 Relative adsorption of ion 2 on left wall = -0.594219721 Relative adsorption of ion 2 on right wall = 0.722922111 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 225------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00640712887 Right electrode charge = -0.00640712887 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99836 Bulk concentration of Na = 0.99849 ________________________________________________________________________ Average electrode charge 1 = 0.00778340935 Average electrode charge 2 = -0.00778340935 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395596 -0.568954 -0.565801 ________________________________________________________________________ Electrode charge exchange: 0.0633774732 Move Jump Cl: 0.93428 0.36905 Na: 0.93446 0.36956 ________________________________________________________________________ Create NaCl : 247444. / 674351. = 0.36694 Destroy NaCl : 247462. / 674928. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.0816753 Potential at right wall /kT = -1.09052744 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9622143 Potential at right wall /mV = -28.1910495 ________________________________________________________________________ Capacitance of left DL = 0.04124366 Capacitance of right DL = 0.0409088728 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.78812735 Capacitance of right DL [F/m2] = 1.77361258 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24692662 Adsorption of ion 1 on right wall = -5.07791486 Adsorption of ion 2 on left wall = -5.43906385 Adsorption of ion 2 on right wall = 6.57035319 ------------------------------------------------------------------------ net charge in left DL = -11.6859905 9.6123265 net charge in right DL = 11.648268 -9.6123265 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.649887061 Relative adsorption of ion 1 on right wall = -0.528271159 Relative adsorption of ion 2 on left wall = -0.565842603 Relative adsorption of ion 2 on right wall = 0.683534125 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 230------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00873633963 Right electrode charge = -0.00873633963 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99842 ________________________________________________________________________ Average electrode charge 1 = 0.00779727172 Average electrode charge 2 = -0.00779727172 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395497 -0.568954 -0.565702 ________________________________________________________________________ Electrode charge exchange: 0.063386623 Move Jump Cl: 0.93437 0.36911 Na: 0.93461 0.36960 ________________________________________________________________________ Create NaCl : 252973. / 689344. = 0.36698 Destroy NaCl : 252967. / 689902. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.06626522 Potential at right wall /kT = -1.07573926 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5638507 Potential at right wall /mV = -27.8087627 ________________________________________________________________________ Capacitance of left DL = 0.0570499041 Capacitance of right DL = 0.0565474653 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.81397006 Capacitance of right DL [F/m2] = 1.79799442 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.26700189 Adsorption of ion 1 on right wall = -5.06884884 Adsorption of ion 2 on left wall = -5.42130553 Adsorption of ion 2 on right wall = 6.59546911 ------------------------------------------------------------------------ net charge in left DL = -11.6883074 13.1067364 net charge in right DL = 11.6643179 -13.1067364 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478151213 Relative adsorption of ion 1 on right wall = -0.386736156 Relative adsorption of ion 2 on left wall = -0.413627419 Relative adsorption of ion 2 on right wall = 0.503212159 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 235------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00933322435 Right electrode charge = -0.00933322435 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99782 Bulk concentration of Na = 0.99780 ________________________________________________________________________ Average electrode charge 1 = 0.00781344203 Average electrode charge 2 = -0.00781344203 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394365 -0.568954 -0.564569 ________________________________________________________________________ Electrode charge exchange: 0.0634120484 Move Jump Cl: 0.93436 0.36925 Na: 0.93454 0.36978 ________________________________________________________________________ Create NaCl : 258475. / 704258. = 0.36702 Destroy NaCl : 258483. / 705130. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.05997119 Potential at right wall /kT = -1.07034975 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4011448 Potential at right wall /mV = -27.6694394 ________________________________________________________________________ Capacitance of left DL = 0.0613095738 Capacitance of right DL = 0.0607150902 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.82474128 Capacitance of right DL [F/m2] = 1.80704782 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.31428754 Adsorption of ion 1 on right wall = -5.07104012 Adsorption of ion 2 on left wall = -5.37682307 Adsorption of ion 2 on right wall = 6.6274443 ------------------------------------------------------------------------ net charge in left DL = -11.6911106 14.0022156 net charge in right DL = 11.6984844 -14.0022156 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.450949172 Relative adsorption of ion 1 on right wall = -0.362159837 Relative adsorption of ion 2 on left wall = -0.38399802 Relative adsorption of ion 2 on right wall = 0.473313973 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 240------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0108439576 Right electrode charge = -0.0108439576 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99799 Bulk concentration of Na = 0.99798 ________________________________________________________________________ Average electrode charge 1 = 0.00782367026 Average electrode charge 2 = -0.00782367026 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394715 -0.568954 -0.564920 ________________________________________________________________________ Electrode charge exchange: 0.0634226861 Move Jump Cl: 0.93431 0.36918 Na: 0.93452 0.36967 ________________________________________________________________________ Create NaCl : 264018. / 719240. = 0.36708 Destroy NaCl : 264009. / 720192. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.06437306 Potential at right wall /kT = -1.07480403 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5149369 Potential at right wall /mV = -27.7845862 ________________________________________________________________________ Capacitance of left DL = 0.0709389228 Capacitance of right DL = 0.0702504608 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.81719479 Capacitance of right DL [F/m2] = 1.79955892 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.34188416 Adsorption of ion 1 on right wall = -5.13331827 Adsorption of ion 2 on left wall = -5.36882173 Adsorption of ion 2 on right wall = 6.57974598 ------------------------------------------------------------------------ net charge in left DL = -11.7107059 16.2687006 net charge in right DL = 11.7130643 -16.2687006 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.389821185 Relative adsorption of ion 1 on right wall = -0.315533391 Relative adsorption of ion 2 on left wall = -0.330009252 Relative adsorption of ion 2 on right wall = 0.40444201 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 245------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00676124691 Right electrode charge = -0.00676124691 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99803 Bulk concentration of Na = 0.99803 ________________________________________________________________________ Average electrode charge 1 = 0.0078158416 Average electrode charge 2 = -0.0078158416 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394808 -0.568954 -0.565012 ________________________________________________________________________ Electrode charge exchange: 0.0634183883 Move Jump Cl: 0.93436 0.36920 Na: 0.93453 0.36963 ________________________________________________________________________ Create NaCl : 269550. / 734319. = 0.36707 Destroy NaCl : 269569. / 735391. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.09447578 Potential at right wall /kT = -1.10780177 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2931175 Potential at right wall /mV = -28.6376053 ________________________________________________________________________ Capacitance of left DL = 0.0430141447 Capacitance of right DL = 0.0424967185 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.76721424 Capacitance of right DL [F/m2] = 1.74595604 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.36075323 Adsorption of ion 1 on right wall = -5.14505221 Adsorption of ion 2 on left wall = -5.36321432 Adsorption of ion 2 on right wall = 6.57868092 ------------------------------------------------------------------------ net charge in left DL = -11.7239675 10.1435938 net charge in right DL = 11.7237331 -10.1435938 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.62707097 Relative adsorption of ion 1 on right wall = -0.507221828 Relative adsorption of ion 2 on left wall = -0.528729206 Relative adsorption of ion 2 on right wall = 0.648555238 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 250------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00887399126 Right electrode charge = -0.00887399126 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99813 Bulk concentration of Na = 0.99817 ________________________________________________________________________ Average electrode charge 1 = 0.0078094198 Average electrode charge 2 = -0.0078094198 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395046 -0.568954 -0.565251 ________________________________________________________________________ Electrode charge exchange: 0.0634381795 Move Jump Cl: 0.93436 0.36920 Na: 0.93458 0.36951 ________________________________________________________________________ Create NaCl : 275071. / 749136. = 0.36718 Destroy NaCl : 275096. / 750526. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.10673647 Potential at right wall /kT = -1.11627568 ------------------------------------------------------------------------ Potential at left wall /mV = 28.6100664 Potential at right wall /mV = -28.8566631 ________________________________________________________________________ Capacitance of left DL = 0.0558297174 Capacitance of right DL = 0.0553526205 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.74763663 Capacitance of right DL [F/m2] = 1.73270207 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.37512988 Adsorption of ion 1 on right wall = -5.20154079 Adsorption of ion 2 on left wall = -5.35329961 Adsorption of ion 2 on right wall = 6.51322572 ------------------------------------------------------------------------ net charge in left DL = -11.7284295 13.3132489 net charge in right DL = 11.7147665 -13.3132489 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478856057 Relative adsorption of ion 1 on right wall = -0.390704089 Relative adsorption of ion 2 on left wall = -0.402103172 Relative adsorption of ion 2 on right wall = 0.48922887 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 255------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00523235979 Right electrode charge = -0.00523235979 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99781 Bulk concentration of Na = 0.99786 ________________________________________________________________________ Average electrode charge 1 = 0.00781100041 Average electrode charge 2 = -0.00781100041 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394408 -0.568954 -0.564613 ________________________________________________________________________ Electrode charge exchange: 0.0634697023 Move Jump Cl: 0.93435 0.36938 Na: 0.93461 0.36959 ________________________________________________________________________ Create NaCl : 280609. / 764045. = 0.36727 Destroy NaCl : 280634. / 765460. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.09376319 Potential at right wall /kT = -1.10516356 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2746963 Potential at right wall /mV = -28.5694054 ________________________________________________________________________ Capacitance of left DL = 0.0333092574 Capacitance of right DL = 0.0329656541 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.76836559 Capacitance of right DL [F/m2] = 1.75012393 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41360441 Adsorption of ion 1 on right wall = -5.18808546 Adsorption of ion 2 on left wall = -5.30898401 Adsorption of ion 2 on right wall = 6.52065553 ------------------------------------------------------------------------ net charge in left DL = -11.7225884 7.84987344 net charge in right DL = 11.708741 -7.84987344 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.817032842 Relative adsorption of ion 1 on right wall = -0.660913261 Relative adsorption of ion 2 on left wall = -0.676314599 Relative adsorption of ion 2 on right wall = 0.830670148 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 260------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101329242 Right electrode charge = -0.0101329242 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 316 -1.00 3.0000 1.5000 Na ion: 316 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99781 Bulk concentration of Na = 0.99798 ________________________________________________________________________ Average electrode charge 1 = 0.00780124856 Average electrode charge 2 = -0.00780124856 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394539 -0.568954 -0.564744 ________________________________________________________________________ Electrode charge exchange: 0.0634683495 Move Jump Cl: 0.93446 0.36952 Na: 0.93465 0.36954 ________________________________________________________________________ Create NaCl : 286139. / 778930. = 0.36735 Destroy NaCl : 286123. / 780576. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.09983543 Potential at right wall /kT = -1.10997895 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4316689 Potential at right wall /mV = -28.6938872 ________________________________________________________________________ Capacitance of left DL = 0.0641501591 Capacitance of right DL = 0.0635639246 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.75860236 Capacitance of right DL [F/m2] = 1.74253142 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.37910307 Adsorption of ion 1 on right wall = -5.19873154 Adsorption of ion 2 on left wall = -5.35154462 Adsorption of ion 2 on right wall = 6.48162077 ------------------------------------------------------------------------ net charge in left DL = -11.7306477 15.2019692 net charge in right DL = 11.6803523 -15.2019692 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.419623471 Relative adsorption of ion 1 on right wall = -0.341977509 Relative adsorption of ion 2 on left wall = -0.352029698 Relative adsorption of ion 2 on right wall = 0.426367183 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 265------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00550715074 Right electrode charge = -0.00550715074 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99781 Bulk concentration of Na = 0.99792 ________________________________________________________________________ Average electrode charge 1 = 0.00779205103 Average electrode charge 2 = -0.00779205103 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394473 -0.568954 -0.564678 ________________________________________________________________________ Electrode charge exchange: 0.0634627262 Move Jump Cl: 0.93444 0.36950 Na: 0.93473 0.36962 ________________________________________________________________________ Create NaCl : 291584. / 793839. = 0.36731 Destroy NaCl : 291599. / 795628. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.10472664 Potential at right wall /kT = -1.11471634 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5581108 Potential at right wall /mV = -28.8163527 ________________________________________________________________________ Capacitance of left DL = 0.0347106534 Capacitance of right DL = 0.0343995888 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.75081609 Capacitance of right DL [F/m2] = 1.7351259 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.34986869 Adsorption of ion 1 on right wall = -5.24837911 Adsorption of ion 2 on left wall = -5.36292491 Adsorption of ion 2 on right wall = 6.43072163 ------------------------------------------------------------------------ net charge in left DL = -11.7127936 8.26212991 net charge in right DL = 11.6791007 -8.26212991 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.768551059 Relative adsorption of ion 1 on right wall = -0.635233186 Relative adsorption of ion 2 on left wall = -0.649097142 Relative adsorption of ion 2 on right wall = 0.778337027 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 270------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00837352915 Right electrode charge = -0.00837352915 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99810 Bulk concentration of Na = 0.99826 ________________________________________________________________________ Average electrode charge 1 = 0.00778925928 Average electrode charge 2 = -0.00778925928 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395105 -0.568954 -0.565310 ________________________________________________________________________ Electrode charge exchange: 0.0634879872 Move Jump Cl: 0.93440 0.36944 Na: 0.93476 0.36960 ________________________________________________________________________ Create NaCl : 297084. / 809022. = 0.36721 Destroy NaCl : 297087. / 810432. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.11612849 Potential at right wall /kT = -1.12906844 ------------------------------------------------------------------------ Potential at left wall /mV = 28.8528582 Potential at right wall /mV = -29.1873668 ________________________________________________________________________ Capacitance of left DL = 0.052237814 Capacitance of right DL = 0.0516391303 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.73293057 Capacitance of right DL [F/m2] = 1.71306992 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.31757454 Adsorption of ion 1 on right wall = -5.26438348 Adsorption of ion 2 on left wall = -5.40633139 Adsorption of ion 2 on right wall = 6.41453775 ------------------------------------------------------------------------ net charge in left DL = -11.7239059 12.5624282 net charge in right DL = 11.6789212 -12.5624282 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.502894381 Relative adsorption of ion 1 on right wall = -0.419057798 Relative adsorption of ion 2 on left wall = -0.430357198 Relative adsorption of ion 2 on right wall = 0.510612889 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 275------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00837007061 Right electrode charge = -0.00837007061 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99780 Bulk concentration of Na = 0.99811 ________________________________________________________________________ Average electrode charge 1 = 0.00778672117 Average electrode charge 2 = -0.00778672117 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394655 -0.568954 -0.564859 ________________________________________________________________________ Electrode charge exchange: 0.0634906249 Move Jump Cl: 0.93436 0.36939 Na: 0.93476 0.36961 ________________________________________________________________________ Create NaCl : 302579. / 823974. = 0.36722 Destroy NaCl : 302567. / 825386. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.11702795 Potential at right wall /kT = -1.13153479 ------------------------------------------------------------------------ Potential at left wall /mV = 28.87611 Potential at right wall /mV = -29.2511238 ________________________________________________________________________ Capacitance of left DL = 0.0521741922 Capacitance of right DL = 0.0515052933 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.73153517 Capacitance of right DL [F/m2] = 1.70933603 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.37729333 Adsorption of ion 1 on right wall = -5.23081091 Adsorption of ion 2 on left wall = -5.36622165 Adsorption of ion 2 on right wall = 6.42454501 ------------------------------------------------------------------------ net charge in left DL = -11.743515 12.5572395 net charge in right DL = 11.6553559 -12.5572395 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.507857905 Relative adsorption of ion 1 on right wall = -0.416557391 Relative adsorption of ion 2 on left wall = -0.427340871 Relative adsorption of ion 2 on right wall = 0.511620808 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 280------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806397664 Right electrode charge = -0.00806397664 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99753 Bulk concentration of Na = 0.99791 ________________________________________________________________________ Average electrode charge 1 = 0.00779068846 Average electrode charge 2 = -0.00779068846 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394179 -0.568954 -0.564383 ________________________________________________________________________ Electrode charge exchange: 0.0634906561 Move Jump Cl: 0.93440 0.36944 Na: 0.93481 0.36962 ________________________________________________________________________ Create NaCl : 308120. / 838949. = 0.36727 Destroy NaCl : 308137. / 840453. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.12438471 Potential at right wall /kT = -1.13857244 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0662883 Potential at right wall /mV = -29.433053 ________________________________________________________________________ Capacitance of left DL = 0.0499372914 Capacitance of right DL = 0.0493150239 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.72020588 Capacitance of right DL [F/m2] = 1.69877043 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4535937 Adsorption of ion 1 on right wall = -5.18227148 Adsorption of ion 2 on left wall = -5.31228438 Adsorption of ion 2 on right wall = 6.47176949 ------------------------------------------------------------------------ net charge in left DL = -11.7658781 12.0980205 net charge in right DL = 11.654041 -12.0980205 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533442119 Relative adsorption of ion 1 on right wall = -0.428356976 Relative adsorption of ion 2 on left wall = -0.439103602 Relative adsorption of ion 2 on right wall = 0.534944497 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 285------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00491106931 Right electrode charge = -0.00491106931 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99707 Bulk concentration of Na = 0.99750 ________________________________________________________________________ Average electrode charge 1 = 0.0077788403 Average electrode charge 2 = -0.0077788403 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393309 -0.568954 -0.563514 ________________________________________________________________________ Electrode charge exchange: 0.0634847788 Move Jump Cl: 0.93432 0.36953 Na: 0.93486 0.36957 ________________________________________________________________________ Create NaCl : 313614. / 853859. = 0.36729 Destroy NaCl : 313610. / 855653. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.11484583 Potential at right wall /kT = -1.13035297 ------------------------------------------------------------------------ Potential at left wall /mV = 28.8197002 Potential at right wall /mV = -29.2205729 ________________________________________________________________________ Capacitance of left DL = 0.0306726928 Capacitance of right DL = 0.0302518986 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.73492436 Capacitance of right DL [F/m2] = 1.71112319 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48646619 Adsorption of ion 1 on right wall = -5.1405806 Adsorption of ion 2 on left wall = -5.26398621 Adsorption of ion 2 on right wall = 6.48198631 ------------------------------------------------------------------------ net charge in left DL = -11.7504524 7.36785583 net charge in right DL = 11.6225669 -7.36785583 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.880373658 Relative adsorption of ion 1 on right wall = -0.697703744 Relative adsorption of ion 2 on left wall = -0.714452933 Relative adsorption of ion 2 on right wall = 0.879765628 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 290------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00560415637 Right electrode charge = -0.00560415637 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99737 Bulk concentration of Na = 0.99796 ________________________________________________________________________ Average electrode charge 1 = 0.00778106369 Average electrode charge 2 = -0.00778106369 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394079 -0.568954 -0.564284 ________________________________________________________________________ Electrode charge exchange: 0.0635002849 Move Jump Cl: 0.93423 0.36951 Na: 0.93490 0.36962 ________________________________________________________________________ Create NaCl : 319082. / 868885. = 0.36723 Destroy NaCl : 319095. / 870533. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.11573488 Potential at right wall /kT = -1.13067168 ------------------------------------------------------------------------ Potential at left wall /mV = 28.842683 Potential at right wall /mV = -29.2288117 ________________________________________________________________________ Capacitance of left DL = 0.0349735636 Capacitance of right DL = 0.0345115436 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.73354192 Capacitance of right DL [F/m2] = 1.71064087 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48171558 Adsorption of ion 1 on right wall = -5.11954937 Adsorption of ion 2 on left wall = -5.2952337 Adsorption of ion 2 on right wall = 6.48360308 ------------------------------------------------------------------------ net charge in left DL = -11.7769493 8.40766308 net charge in right DL = 11.6031524 -8.40766308 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.77092951 Relative adsorption of ion 1 on right wall = -0.608914667 Relative adsorption of ion 2 on left wall = -0.629810406 Relative adsorption of ion 2 on right wall = 0.771154008 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 295------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00722072052 Right electrode charge = -0.00722072052 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99774 Bulk concentration of Na = 0.99812 ________________________________________________________________________ Average electrode charge 1 = 0.00779055201 Average electrode charge 2 = -0.00779055201 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394603 -0.568954 -0.564808 ________________________________________________________________________ Electrode charge exchange: 0.0634890942 Move Jump Cl: 0.93417 0.36935 Na: 0.93494 0.36959 ________________________________________________________________________ Create NaCl : 324570. / 883845. = 0.36723 Destroy NaCl : 324583. / 885475. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.13799452 Potential at right wall /kT = -1.1509196 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4181132 Potential at right wall /mV = -29.7522376 ________________________________________________________________________ Capacitance of left DL = 0.04418054 Capacitance of right DL = 0.0436843825 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69963313 Capacitance of right DL [F/m2] = 1.68054587 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46918339 Adsorption of ion 1 on right wall = -5.13780305 Adsorption of ion 2 on left wall = -5.30631741 Adsorption of ion 2 on right wall = 6.52491932 ------------------------------------------------------------------------ net charge in left DL = -11.7755008 10.8329214 net charge in right DL = 11.6627224 -10.8329214 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.597178099 Relative adsorption of ion 1 on right wall = -0.474276778 Relative adsorption of ion 2 on left wall = -0.489832541 Relative adsorption of ion 2 on right wall = 0.602323149 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 300------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00829627982 Right electrode charge = -0.00829627982 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99770 Bulk concentration of Na = 0.99801 ________________________________________________________________________ Average electrode charge 1 = 0.00780367782 Average electrode charge 2 = -0.00780367782 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394457 -0.568954 -0.564661 ________________________________________________________________________ Electrode charge exchange: 0.0634851785 Move Jump Cl: 0.93427 0.36932 Na: 0.93488 0.36956 ________________________________________________________________________ Create NaCl : 330099. / 898898. = 0.36723 Destroy NaCl : 330087. / 900434. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.12935886 Potential at right wall /kT = -1.14267637 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1948743 Potential at right wall /mV = -29.5391432 ________________________________________________________________________ Capacitance of left DL = 0.0511495811 Capacitance of right DL = 0.0505534497 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.7126294 Capacitance of right DL [F/m2] = 1.69266927 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44839508 Adsorption of ion 1 on right wall = -5.10579409 Adsorption of ion 2 on left wall = -5.32947679 Adsorption of ion 2 on right wall = 6.58046682 ------------------------------------------------------------------------ net charge in left DL = -11.7778719 12.4465345 net charge in right DL = 11.6862609 -12.4465345 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.518087591 Relative adsorption of ion 1 on right wall = -0.410218129 Relative adsorption of ion 2 on left wall = -0.428189613 Relative adsorption of ion 2 on right wall = 0.528698717 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 305------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00913718803 Right electrode charge = -0.00913718803 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99753 Bulk concentration of Na = 0.99781 ________________________________________________________________________ Average electrode charge 1 = 0.0078020434 Average electrode charge 2 = -0.0078020434 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394091 -0.568954 -0.564295 ________________________________________________________________________ Electrode charge exchange: 0.0634920515 Move Jump Cl: 0.93429 0.36932 Na: 0.93493 0.36963 ________________________________________________________________________ Create NaCl : 335560. / 913692. = 0.36726 Destroy NaCl : 335559. / 915435. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.12843689 Potential at right wall /kT = -1.1404528 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1710406 Potential at right wall /mV = -29.4816619 ________________________________________________________________________ Capacitance of left DL = 0.0563801127 Capacitance of right DL = 0.055786087 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71402867 Capacitance of right DL [F/m2] = 1.69596952 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44271401 Adsorption of ion 1 on right wall = -5.04921003 Adsorption of ion 2 on left wall = -5.32752803 Adsorption of ion 2 on right wall = 6.63822006 ------------------------------------------------------------------------ net charge in left DL = -11.770242 13.7081112 net charge in right DL = 11.6874301 -13.7081112 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.469992834 Relative adsorption of ion 1 on right wall = -0.368337401 Relative adsorption of ion 2 on left wall = -0.388640562 Relative adsorption of ion 2 on right wall = 0.484254905 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 310------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00564605377 Right electrode charge = -0.00564605377 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99737 Bulk concentration of Na = 0.99773 ________________________________________________________________________ Average electrode charge 1 = 0.00779853347 Average electrode charge 2 = -0.00779853347 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393844 -0.568954 -0.564048 ________________________________________________________________________ Electrode charge exchange: 0.0634965526 Move Jump Cl: 0.93433 0.36927 Na: 0.93490 0.36961 ________________________________________________________________________ Create NaCl : 340989. / 928605. = 0.36721 Destroy NaCl : 340979. / 930399. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.10297936 Potential at right wall /kT = -1.11747783 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5129421 Potential at right wall /mV = -28.8877396 ________________________________________________________________________ Capacitance of left DL = 0.0356425096 Capacitance of right DL = 0.035180074 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.75358964 Capacitance of right DL [F/m2] = 1.73083809 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48332101 Adsorption of ion 1 on right wall = -5.02966018 Adsorption of ion 2 on left wall = -5.27601455 Adsorption of ion 2 on right wall = 6.62518168 ------------------------------------------------------------------------ net charge in left DL = -11.7593356 8.47051985 net charge in right DL = 11.6548419 -8.47051985 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.765398242 Relative adsorption of ion 1 on right wall = -0.59378412 Relative adsorption of ion 2 on left wall = -0.622867858 Relative adsorption of ion 2 on right wall = 0.782145818 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 315------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00648452066 Right electrode charge = -0.00648452066 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99734 Bulk concentration of Na = 0.99773 ________________________________________________________________________ Average electrode charge 1 = 0.0078020967 Average electrode charge 2 = -0.0078020967 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393811 -0.568954 -0.564015 ________________________________________________________________________ Electrode charge exchange: 0.0635144429 Move Jump Cl: 0.93433 0.36919 Na: 0.93477 0.36949 ________________________________________________________________________ Create NaCl : 346446. / 943550. = 0.36717 Destroy NaCl : 346453. / 945344. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.11456616 Potential at right wall /kT = -1.12864236 ------------------------------------------------------------------------ Potential at left wall /mV = 28.8124705 Potential at right wall /mV = -29.1763521 ________________________________________________________________________ Capacitance of left DL = 0.0405100407 Capacitance of right DL = 0.0400048076 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.7353597 Capacitance of right DL [F/m2] = 1.71371664 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47744963 Adsorption of ion 1 on right wall = -5.00172894 Adsorption of ion 2 on left wall = -5.29900843 Adsorption of ion 2 on right wall = 6.66188866 ------------------------------------------------------------------------ net charge in left DL = -11.7764581 9.72843393 net charge in right DL = 11.6636176 -9.72843393 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.665826553 Relative adsorption of ion 1 on right wall = -0.514135058 Relative adsorption of ion 2 on left wall = -0.544692853 Relative adsorption of ion 2 on right wall = 0.684785312 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 320------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00823273615 Right electrode charge = -0.00823273615 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99754 Bulk concentration of Na = 0.99794 ________________________________________________________________________ Average electrode charge 1 = 0.00779949645 Average electrode charge 2 = -0.00779949645 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394231 -0.568954 -0.564436 ________________________________________________________________________ Electrode charge exchange: 0.0635045357 Move Jump Cl: 0.93439 0.36916 Na: 0.93479 0.36950 ________________________________________________________________________ Create NaCl : 351914. / 958520. = 0.36714 Destroy NaCl : 351916. / 960223. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.09897827 Potential at right wall /kT = -1.1134893 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4095105 Potential at right wall /mV = -28.7846329 ________________________________________________________________________ Capacitance of left DL = 0.0521609802 Capacitance of right DL = 0.0514812164 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.759974 Capacitance of right DL [F/m2] = 1.73703796 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41573918 Adsorption of ion 1 on right wall = -4.99974702 Adsorption of ion 2 on left wall = -5.34844388 Adsorption of ion 2 on right wall = 6.64707774 ------------------------------------------------------------------------ net charge in left DL = -11.7641831 12.3512028 net charge in right DL = 11.6468248 -12.3512028 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519442461 Relative adsorption of ion 1 on right wall = -0.404798392 Relative adsorption of ion 2 on left wall = -0.433030205 Relative adsorption of ion 2 on right wall = 0.538172505 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 325------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00907475444 Right electrode charge = -0.00907475444 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99745 Bulk concentration of Na = 0.99786 ________________________________________________________________________ Average electrode charge 1 = 0.00779875906 Average electrode charge 2 = -0.00779875906 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394055 -0.568954 -0.564260 ________________________________________________________________________ Electrode charge exchange: 0.0635008618 Move Jump Cl: 0.93435 0.36909 Na: 0.93480 0.36942 ________________________________________________________________________ Create NaCl : 357382. / 973417. = 0.36714 Destroy NaCl : 357397. / 975240. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.11991752 Potential at right wall /kT = -1.13498184 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9508077 Potential at right wall /mV = -29.3402331 ________________________________________________________________________ Capacitance of left DL = 0.0564208333 Capacitance of right DL = 0.0556719741 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.72706753 Capacitance of right DL [F/m2] = 1.70414461 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48464022 Adsorption of ion 1 on right wall = -5.00290081 Adsorption of ion 2 on left wall = -5.29451869 Adsorption of ion 2 on right wall = 6.65719464 ------------------------------------------------------------------------ net charge in left DL = -11.7791589 13.6144448 net charge in right DL = 11.6600955 -13.6144448 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.476305886 Relative adsorption of ion 1 on right wall = -0.367470056 Relative adsorption of ion 2 on left wall = -0.388889797 Relative adsorption of ion 2 on right wall = 0.48898025 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 330------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00720792638 Right electrode charge = -0.00720792638 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99771 Bulk concentration of Na = 0.99806 ________________________________________________________________________ Average electrode charge 1 = 0.00779881875 Average electrode charge 2 = -0.00779881875 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394507 -0.568954 -0.564712 ________________________________________________________________________ Electrode charge exchange: 0.0635062368 Move Jump Cl: 0.93435 0.36908 Na: 0.93478 0.36937 ________________________________________________________________________ Create NaCl : 362924. / 988555. = 0.36713 Destroy NaCl : 362918. / 990175. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.13146222 Potential at right wall /kT = -1.14541278 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2492478 Potential at right wall /mV = -29.6098815 ________________________________________________________________________ Capacitance of left DL = 0.0443568746 Capacitance of right DL = 0.04381663 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70944567 Capacitance of right DL [F/m2] = 1.68862547 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49316684 Adsorption of ion 1 on right wall = -5.04203972 Adsorption of ion 2 on left wall = -5.2853873 Adsorption of ion 2 on right wall = 6.63469603 ------------------------------------------------------------------------ net charge in left DL = -11.7785541 10.8137269 net charge in right DL = 11.6767358 -10.8137269 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.600455967 Relative adsorption of ion 1 on right wall = -0.466262906 Relative adsorption of ion 2 on left wall = -0.488766487 Relative adsorption of ion 2 on right wall = 0.613543887 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 335------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00635325495 Right electrode charge = -0.00635325495 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99756 Bulk concentration of Na = 0.99792 ________________________________________________________________________ Average electrode charge 1 = 0.0077997051 Average electrode charge 2 = -0.0077997051 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394224 -0.568954 -0.564428 ________________________________________________________________________ Electrode charge exchange: 0.0634966272 Move Jump Cl: 0.93438 0.36902 Na: 0.93472 0.36934 ________________________________________________________________________ Create NaCl : 368259. / 1003391. = 0.36701 Destroy NaCl : 368278. / 1005173. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.13472551 Potential at right wall /kT = -1.15044198 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3336068 Potential at right wall /mV = -29.7398907 ________________________________________________________________________ Capacitance of left DL = 0.0389848723 Capacitance of right DL = 0.0384522905 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70452956 Capacitance of right DL [F/m2] = 1.68124357 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53286344 Adsorption of ion 1 on right wall = -5.06129924 Adsorption of ion 2 on left wall = -5.25110084 Adsorption of ion 2 on right wall = 6.6182106 ------------------------------------------------------------------------ net charge in left DL = -11.7839643 9.53150189 net charge in right DL = 11.6795098 -9.53150189 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.685397067 Relative adsorption of ion 1 on right wall = -0.531007526 Relative adsorption of ion 2 on left wall = -0.55092061 Relative adsorption of ion 2 on right wall = 0.694351287 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 340------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00646528734 Right electrode charge = -0.00646528734 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99752 Bulk concentration of Na = 0.99783 ________________________________________________________________________ Average electrode charge 1 = 0.00779325074 Average electrode charge 2 = -0.00779325074 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394092 -0.568954 -0.564297 ________________________________________________________________________ Electrode charge exchange: 0.0634810627 Move Jump Cl: 0.93430 0.36899 Na: 0.93474 0.36937 ________________________________________________________________________ Create NaCl : 373869. / 1018625. = 0.36703 Destroy NaCl : 373869. / 1020146. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.13877104 Potential at right wall /kT = -1.15516434 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4381871 Potential at right wall /mV = -29.8619675 ________________________________________________________________________ Capacitance of left DL = 0.0395313884 Capacitance of right DL = 0.0389703863 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69847415 Capacitance of right DL [F/m2] = 1.67437058 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54720751 Adsorption of ion 1 on right wall = -5.00840891 Adsorption of ion 2 on left wall = -5.22419595 Adsorption of ion 2 on right wall = 6.6722739 ------------------------------------------------------------------------ net charge in left DL = -11.7714035 9.69957904 net charge in right DL = 11.6806828 -9.69957904 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.67499914 Relative adsorption of ion 1 on right wall = -0.516353224 Relative adsorption of ion 2 on left wall = -0.538600276 Relative adsorption of ion 2 on right wall = 0.687893142 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 345------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00854641995 Right electrode charge = -0.00854641995 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99754 Bulk concentration of Na = 0.99793 ________________________________________________________________________ Average electrode charge 1 = 0.007801369 Average electrode charge 2 = -0.007801369 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394217 -0.568954 -0.564422 ________________________________________________________________________ Electrode charge exchange: 0.0634848031 Move Jump Cl: 0.93422 0.36895 Na: 0.93470 0.36928 ________________________________________________________________________ Create NaCl : 379350. / 1033605. = 0.36702 Destroy NaCl : 379362. / 1035193. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.14445897 Potential at right wall /kT = -1.16155528 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5852248 Potential at right wall /mV = -30.0271788 ________________________________________________________________________ Capacitance of left DL = 0.0519965651 Capacitance of right DL = 0.0512312554 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69003279 Capacitance of right DL [F/m2] = 1.6651581 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59587911 Adsorption of ion 1 on right wall = -4.98881968 Adsorption of ion 2 on left wall = -5.20203673 Adsorption of ion 2 on right wall = 6.69637801 ------------------------------------------------------------------------ net charge in left DL = -11.7979158 12.8218084 net charge in right DL = 11.6851977 -12.8218084 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.514426584 Relative adsorption of ion 1 on right wall = -0.389088614 Relative adsorption of ion 2 on left wall = -0.405717864 Relative adsorption of ion 2 on right wall = 0.522264705 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 350------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00902857989 Right electrode charge = -0.00902857989 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99730 Bulk concentration of Na = 0.99774 ________________________________________________________________________ Average electrode charge 1 = 0.00780178537 Average electrode charge 2 = -0.00780178537 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393776 -0.568954 -0.563981 ________________________________________________________________________ Electrode charge exchange: 0.0634874316 Move Jump Cl: 0.93430 0.36902 Na: 0.93471 0.36935 ________________________________________________________________________ Create NaCl : 384873. / 1048477. = 0.36708 Destroy NaCl : 384882. / 1050210. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.14306583 Potential at right wall /kT = -1.16034039 ------------------------------------------------------------------------ Potential at left wall /mV = 29.549211 Potential at right wall /mV = -29.9957728 ________________________________________________________________________ Capacitance of left DL = 0.0549969817 Capacitance of right DL = 0.0541782145 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69209256 Capacitance of right DL [F/m2] = 1.66690154 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59276947 Adsorption of ion 1 on right wall = -4.97454672 Adsorption of ion 2 on left wall = -5.2120789 Adsorption of ion 2 on right wall = 6.70194872 ------------------------------------------------------------------------ net charge in left DL = -11.8048484 13.5451713 net charge in right DL = 11.6764954 -13.5451713 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.486724703 Relative adsorption of ion 1 on right wall = -0.367256096 Relative adsorption of ion 2 on left wall = -0.384792396 Relative adsorption of ion 2 on right wall = 0.494785085 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 355------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00765350331 Right electrode charge = -0.00765350331 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99730 Bulk concentration of Na = 0.99769 ________________________________________________________________________ Average electrode charge 1 = 0.00779783016 Average electrode charge 2 = -0.00779783016 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393726 -0.568954 -0.563931 ________________________________________________________________________ Electrode charge exchange: 0.0634959202 Move Jump Cl: 0.93432 0.36894 Na: 0.93473 0.36931 ________________________________________________________________________ Create NaCl : 390355. / 1063366. = 0.36709 Destroy NaCl : 390358. / 1065146. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.13823267 Potential at right wall /kT = -1.15641835 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4242697 Potential at right wall /mV = -29.8943848 ________________________________________________________________________ Capacitance of left DL = 0.046818757 Capacitance of right DL = 0.0460824915 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69927752 Capacitance of right DL [F/m2] = 1.6725549 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57146202 Adsorption of ion 1 on right wall = -4.96383118 Adsorption of ion 2 on left wall = -5.21818826 Adsorption of ion 2 on right wall = 6.71080869 ------------------------------------------------------------------------ net charge in left DL = -11.7896503 11.4822059 net charge in right DL = 11.6746399 -11.4822059 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.572317035 Relative adsorption of ion 1 on right wall = -0.432306408 Relative adsorption of ion 2 on left wall = -0.454458692 Relative adsorption of ion 2 on right wall = 0.584452915 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 360------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00923402106 Right electrode charge = -0.00923402106 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99719 Bulk concentration of Na = 0.99772 ________________________________________________________________________ Average electrode charge 1 = 0.00779823958 Average electrode charge 2 = -0.00779823958 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393647 -0.568954 -0.563852 ________________________________________________________________________ Electrode charge exchange: 0.0634947526 Move Jump Cl: 0.93430 0.36898 Na: 0.93475 0.36939 ________________________________________________________________________ Create NaCl : 395889. / 1078367. = 0.36712 Destroy NaCl : 395880. / 1080220. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.14066823 Potential at right wall /kT = -1.15874142 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4872309 Potential at right wall /mV = -29.954438 ________________________________________________________________________ Capacitance of left DL = 0.0563666427 Capacitance of right DL = 0.0554874777 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69564921 Capacitance of right DL [F/m2] = 1.66920174 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53039282 Adsorption of ion 1 on right wall = -4.94668356 Adsorption of ion 2 on left wall = -5.28237339 Adsorption of ion 2 on right wall = 6.7097118 ------------------------------------------------------------------------ net charge in left DL = -11.8127662 13.8533854 net charge in right DL = 11.6563954 -13.8533854 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.471393284 Relative adsorption of ion 1 on right wall = -0.357073988 Relative adsorption of ion 2 on left wall = -0.381305597 Relative adsorption of ion 2 on right wall = 0.484337338 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 365------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00630148475 Right electrode charge = -0.00630148475 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99732 Bulk concentration of Na = 0.99789 ________________________________________________________________________ Average electrode charge 1 = 0.00780020738 Average electrode charge 2 = -0.00780020738 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393951 -0.568954 -0.564156 ________________________________________________________________________ Electrode charge exchange: 0.0634790838 Move Jump Cl: 0.93426 0.36893 Na: 0.93475 0.36945 ________________________________________________________________________ Create NaCl : 401337. / 1093304. = 0.36709 Destroy NaCl : 401353. / 1095040. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.13518995 Potential at right wall /kT = -1.1538611 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3456127 Potential at right wall /mV = -29.8282777 ________________________________________________________________________ Capacitance of left DL = 0.0386513801 Capacitance of right DL = 0.0380259445 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.7038322 Capacitance of right DL [F/m2] = 1.67626172 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53422469 Adsorption of ion 1 on right wall = -4.92036868 Adsorption of ion 2 on left wall = -5.28260118 Adsorption of ion 2 on right wall = 6.73026845 ------------------------------------------------------------------------ net charge in left DL = -11.8168259 9.45383339 net charge in right DL = 11.6506371 -9.45383339 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.691171975 Relative adsorption of ion 1 on right wall = -0.520462809 Relative adsorption of ion 2 on left wall = -0.558778748 Relative adsorption of ion 2 on right wall = 0.711908934 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 370------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00670642308 Right electrode charge = -0.00670642308 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99727 Bulk concentration of Na = 0.99779 ________________________________________________________________________ Average electrode charge 1 = 0.00779891341 Average electrode charge 2 = -0.00779891341 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393796 -0.568954 -0.564001 ________________________________________________________________________ Electrode charge exchange: 0.0634675925 Move Jump Cl: 0.93426 0.36891 Na: 0.93478 0.36944 ________________________________________________________________________ Create NaCl : 406900. / 1108233. = 0.36716 Destroy NaCl : 406899. / 1110132. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.13942084 Potential at right wall /kT = -1.15785108 ------------------------------------------------------------------------ Potential at left wall /mV = 29.454985 Potential at right wall /mV = -29.9314222 ________________________________________________________________________ Capacitance of left DL = 0.040982405 Capacitance of right DL = 0.0403300624 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69750553 Capacitance of right DL [F/m2] = 1.67048528 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54288804 Adsorption of ion 1 on right wall = -4.94115813 Adsorption of ion 2 on left wall = -5.26830397 Adsorption of ion 2 on right wall = 6.71716067 ------------------------------------------------------------------------ net charge in left DL = -11.811192 10.0613441 net charge in right DL = 11.6583188 -10.0613441 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.650299598 Relative adsorption of ion 1 on right wall = -0.491103184 Relative adsorption of ion 2 on left wall = -0.523618306 Relative adsorption of ion 2 on right wall = 0.667620607 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 375------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00475692212 Right electrode charge = -0.00475692212 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 277 -1.00 3.0000 1.5000 Na ion: 277 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99716 Bulk concentration of Na = 0.99765 ________________________________________________________________________ Average electrode charge 1 = 0.00780372775 Average electrode charge 2 = -0.00780372775 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393550 -0.568954 -0.563755 ________________________________________________________________________ Electrode charge exchange: 0.0634808035 Move Jump Cl: 0.93424 0.36891 Na: 0.93475 0.36950 ________________________________________________________________________ Create NaCl : 412416. / 1123089. = 0.36722 Destroy NaCl : 412439. / 1125261. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.13868046 Potential at right wall /kT = -1.15717535 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4358456 Potential at right wall /mV = -29.9139539 ________________________________________________________________________ Capacitance of left DL = 0.0290880645 Capacitance of right DL = 0.0286231562 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69860926 Capacitance of right DL [F/m2] = 1.67146076 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56521195 Adsorption of ion 1 on right wall = -4.95305294 Adsorption of ion 2 on left wall = -5.24734421 Adsorption of ion 2 on right wall = 6.71607845 ------------------------------------------------------------------------ net charge in left DL = -11.8125562 7.13659575 net charge in right DL = 11.6691314 -7.13659575 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.919936084 Relative adsorption of ion 1 on right wall = -0.6940358 Relative adsorption of ion 2 on left wall = -0.735272726 Relative adsorption of ion 2 on right wall = 0.941075926 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 380------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00820074674 Right electrode charge = -0.00820074674 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99729 Bulk concentration of Na = 0.99774 ________________________________________________________________________ Average electrode charge 1 = 0.00780400598 Average electrode charge 2 = -0.00780400598 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393776 -0.568954 -0.563981 ________________________________________________________________________ Electrode charge exchange: 0.0634820167 Move Jump Cl: 0.93429 0.36893 Na: 0.93472 0.36954 ________________________________________________________________________ Create NaCl : 417939. / 1138053. = 0.36724 Destroy NaCl : 417943. / 1140048. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.14501461 Potential at right wall /kT = -1.16401827 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5995886 Potential at right wall /mV = -30.0908492 ________________________________________________________________________ Capacitance of left DL = 0.0498692716 Capacitance of right DL = 0.04905511 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68921267 Capacitance of right DL [F/m2] = 1.66163473 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51947791 Adsorption of ion 1 on right wall = -4.92055082 Adsorption of ion 2 on left wall = -5.29357522 Adsorption of ion 2 on right wall = 6.75880439 ------------------------------------------------------------------------ net charge in left DL = -11.8130531 12.3032105 net charge in right DL = 11.6793552 -12.3032105 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.529900541 Relative adsorption of ion 1 on right wall = -0.399940391 Relative adsorption of ion 2 on left wall = -0.430259664 Relative adsorption of ion 2 on right wall = 0.549352901 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 385------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00951645566 Right electrode charge = -0.00951645566 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99731 Bulk concentration of Na = 0.99779 ________________________________________________________________________ Average electrode charge 1 = 0.00780388935 Average electrode charge 2 = -0.00780388935 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.393848 -0.568954 -0.564052 ________________________________________________________________________ Electrode charge exchange: 0.0634520138 Move Jump Cl: 0.93430 0.36891 Na: 0.93472 0.36949 ________________________________________________________________________ Create NaCl : 423400. / 1153247. = 0.36714 Destroy NaCl : 423407. / 1154891. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.14675426 Potential at right wall /kT = -1.16520169 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6445599 Potential at right wall /mV = -30.1214416 ________________________________________________________________________ Capacitance of left DL = 0.0577823926 Capacitance of right DL = 0.0568675835 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68665011 Capacitance of right DL [F/m2] = 1.65994711 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52063071 Adsorption of ion 1 on right wall = -4.89791149 Adsorption of ion 2 on left wall = -5.29599561 Adsorption of ion 2 on right wall = 6.7786414 ------------------------------------------------------------------------ net charge in left DL = -11.8166263 14.2771093 net charge in right DL = 11.6765529 -14.2771093 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.456719255 Relative adsorption of ion 1 on right wall = -0.343060447 Relative adsorption of ion 2 on left wall = -0.37094313 Relative adsorption of ion 2 on right wall = 0.474790889 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 390------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0079194833 Right electrode charge = -0.0079194833 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99745 Bulk concentration of Na = 0.99797 ________________________________________________________________________ Average electrode charge 1 = 0.00780817137 Average electrode charge 2 = -0.00780817137 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394163 -0.568954 -0.564367 ________________________________________________________________________ Electrode charge exchange: 0.0634586885 Move Jump Cl: 0.93427 0.36887 Na: 0.93474 0.36946 ________________________________________________________________________ Create NaCl : 428897. / 1168308. = 0.36711 Destroy NaCl : 428915. / 1169959. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.16997565 Potential at right wall /kT = -1.18845573 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2448525 Potential at right wall /mV = -30.7225781 ________________________________________________________________________ Capacitance of left DL = 0.0471314364 Capacitance of right DL = 0.0463985586 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65317388 Capacitance of right DL [F/m2] = 1.62746759 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55827128 Adsorption of ion 1 on right wall = -4.92102424 Adsorption of ion 2 on left wall = -5.28665718 Adsorption of ion 2 on right wall = 6.77230244 ------------------------------------------------------------------------ net charge in left DL = -11.8449285 11.8812437 net charge in right DL = 11.6933267 -11.8812437 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.551985252 Relative adsorption of ion 1 on right wall = -0.41418427 Relative adsorption of ion 2 on left wall = -0.444958232 Relative adsorption of ion 2 on right wall = 0.569999457 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 395------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00724045365 Right electrode charge = -0.00724045365 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 317 -1.00 3.0000 1.5000 Na ion: 317 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99767 Bulk concentration of Na = 0.99812 ________________________________________________________________________ Average electrode charge 1 = 0.00781176977 Average electrode charge 2 = -0.00781176977 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394535 -0.568954 -0.564740 ________________________________________________________________________ Electrode charge exchange: 0.0634743565 Move Jump Cl: 0.93425 0.36884 Na: 0.93471 0.36953 ________________________________________________________________________ Create NaCl : 434419. / 1183181. = 0.36716 Destroy NaCl : 434402. / 1184817. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.15631289 Potential at right wall /kT = -1.17584642 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8916586 Potential at right wall /mV = -30.3966168 ________________________________________________________________________ Capacitance of left DL = 0.0435994553 Capacitance of right DL = 0.0428751674 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67270745 Capacitance of right DL [F/m2] = 1.64491991 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51927023 Adsorption of ion 1 on right wall = -4.9341918 Adsorption of ion 2 on left wall = -5.30966945 Adsorption of ion 2 on right wall = 6.76550186 ------------------------------------------------------------------------ net charge in left DL = -11.8289397 10.8625261 net charge in right DL = 11.6996937 -10.8625261 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.600161525 Relative adsorption of ion 1 on right wall = -0.45423981 Relative adsorption of ion 2 on left wall = -0.488806139 Relative adsorption of ion 2 on right wall = 0.622829515 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 400------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00915316376 Right electrode charge = -0.00915316376 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99752 Bulk concentration of Na = 0.99804 ________________________________________________________________________ Average electrode charge 1 = 0.00781239529 Average electrode charge 2 = -0.00781239529 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394310 -0.568954 -0.564514 ________________________________________________________________________ Electrode charge exchange: 0.0634777456 Move Jump Cl: 0.93420 0.36882 Na: 0.93471 0.36951 ________________________________________________________________________ Create NaCl : 439944. / 1198045. = 0.36722 Destroy NaCl : 439969. / 1199795. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 1.16070506 Potential at right wall /kT = -1.18202974 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0051998 Potential at right wall /mV = -30.5564606 ________________________________________________________________________ Capacitance of left DL = 0.0549085542 Capacitance of right DL = 0.0539179638 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66637784 Capacitance of right DL [F/m2] = 1.63631517 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54676689 Adsorption of ion 1 on right wall = -4.92301436 Adsorption of ion 2 on left wall = -5.29802911 Adsorption of ion 2 on right wall = 6.77026172 ------------------------------------------------------------------------ net charge in left DL = -11.844796 13.7320788 net charge in right DL = 11.6932761 -13.7320788 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.476749877 Relative adsorption of ion 1 on right wall = -0.358504668 Relative adsorption of ion 2 on left wall = -0.385814062 Relative adsorption of ion 2 on right wall = 0.49302526 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 405------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0072351415 Right electrode charge = -0.0072351415 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99758 Bulk concentration of Na = 0.99810 ________________________________________________________________________ Average electrode charge 1 = 0.00781334885 Average electrode charge 2 = -0.00781334885 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394425 -0.568954 -0.564629 ________________________________________________________________________ Electrode charge exchange: 0.0634757318 Move Jump Cl: 0.93418 0.36880 Na: 0.93470 0.36950 ________________________________________________________________________ Create NaCl : 445445. / 1213158. = 0.36718 Destroy NaCl : 445437. / 1214775. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.15746221 Potential at right wall /kT = -1.17857657 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9213694 Potential at right wall /mV = -30.4671933 ________________________________________________________________________ Capacitance of left DL = 0.0435242065 Capacitance of right DL = 0.0427444644 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67104651 Capacitance of right DL [F/m2] = 1.64110949 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52422457 Adsorption of ion 1 on right wall = -4.93196062 Adsorption of ion 2 on left wall = -5.31998302 Adsorption of ion 2 on right wall = 6.76024002 ------------------------------------------------------------------------ net charge in left DL = -11.8442076 10.8545565 net charge in right DL = 11.6922006 -10.8545565 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.601058602 Relative adsorption of ion 1 on right wall = -0.454367768 Relative adsorption of ion 2 on left wall = -0.490115189 Relative adsorption of ion 2 on right wall = 0.622802047 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 410------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00904071555 Right electrode charge = -0.00904071555 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99770 Bulk concentration of Na = 0.99814 ________________________________________________________________________ Average electrode charge 1 = 0.00781760492 Average electrode charge 2 = -0.00781760492 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394586 -0.568954 -0.564791 ________________________________________________________________________ Electrode charge exchange: 0.0634523897 Move Jump Cl: 0.93417 0.36882 Na: 0.93467 0.36960 ________________________________________________________________________ Create NaCl : 450896. / 1227924. = 0.36720 Destroy NaCl : 450906. / 1229906. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.16234577 Potential at right wall /kT = -1.18306397 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0476135 Potential at right wall /mV = -30.5831966 ________________________________________________________________________ Capacitance of left DL = 0.0541574391 Capacitance of right DL = 0.0532090161 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66402566 Capacitance of right DL [F/m2] = 1.6348847 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52899369 Adsorption of ion 1 on right wall = -4.9764301 Adsorption of ion 2 on left wall = -5.31382048 Adsorption of ion 2 on right wall = 6.73580208 ------------------------------------------------------------------------ net charge in left DL = -11.8428142 13.5633778 net charge in right DL = 11.7122322 -13.5633778 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.481369299 Relative adsorption of ion 1 on right wall = -0.366901973 Relative adsorption of ion 2 on left wall = -0.391777074 Relative adsorption of ion 2 on right wall = 0.496616857 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 415------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00581466433 Right electrode charge = -0.00581466433 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99767 Bulk concentration of Na = 0.99805 ________________________________________________________________________ Average electrode charge 1 = 0.00780828779 Average electrode charge 2 = -0.00780828779 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.394471 -0.568954 -0.564676 ________________________________________________________________________ Electrode charge exchange: 0.0634500285 Move Jump Cl: 0.93414 0.36871 Na: 0.93469 0.36955 ________________________________________________________________________ Create NaCl : 456273. / 1242677. = 0.36717 Destroy NaCl : 456262. / 1244712. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.1646621 Potential at right wall /kT = -1.18533446 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1074928 Potential at right wall /mV = -30.6418905 ________________________________________________________________________ Capacitance of left DL = 0.0347628486 Capacitance of right DL = 0.0341565809 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66071617 Capacitance of right DL [F/m2] = 1.6317531 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5089092 Adsorption of ion 1 on right wall = -4.97234883 Adsorption of ion 2 on left wall = -5.3125088 Adsorption of ion 2 on right wall = 6.73793437 ------------------------------------------------------------------------ net charge in left DL = -11.821418 8.72347868 net charge in right DL = 11.7102832 -8.72347868 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.746136884 Relative adsorption of ion 1 on right wall = -0.5699961 Relative adsorption of ion 2 on left wall = -0.608989716 Relative adsorption of ion 2 on right wall = 0.772390765 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 420------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00973316707 Right electrode charge = -0.00973316707 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99792 Bulk concentration of Na = 0.99836 ________________________________________________________________________ Average electrode charge 1 = 0.00781796518 Average electrode charge 2 = -0.00781796518 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395024 -0.568954 -0.565228 ________________________________________________________________________ Electrode charge exchange: 0.0634418033 Move Jump Cl: 0.93417 0.36872 Na: 0.93465 0.36958 ________________________________________________________________________ Create NaCl : 461725. / 1257753. = 0.36710 Destroy NaCl : 461733. / 1259747. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.15883669 Potential at right wall /kT = -1.17762352 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9569009 Potential at right wall /mV = -30.4425562 ________________________________________________________________________ Capacitance of left DL = 0.0584820509 Capacitance of right DL = 0.0575490767 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66906451 Capacitance of right DL [F/m2] = 1.64243763 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49839502 Adsorption of ion 1 on right wall = -4.95483256 Adsorption of ion 2 on left wall = -5.34128997 Adsorption of ion 2 on right wall = 6.75630149 ------------------------------------------------------------------------ net charge in left DL = -11.839685 14.6022316 net charge in right DL = 11.7111341 -14.6022316 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.445027526 Relative adsorption of ion 1 on right wall = -0.339320228 Relative adsorption of ion 2 on left wall = -0.365785868 Relative adsorption of ion 2 on right wall = 0.462689654 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 425------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00550964837 Right electrode charge = -0.00550964837 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99823 Bulk concentration of Na = 0.99874 ________________________________________________________________________ Average electrode charge 1 = 0.0078294388 Average electrode charge 2 = -0.0078294388 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395715 -0.568954 -0.565920 ________________________________________________________________________ Electrode charge exchange: 0.0634466408 Move Jump Cl: 0.93412 0.36875 Na: 0.93462 0.36957 ________________________________________________________________________ Create NaCl : 467231. / 1272908. = 0.36706 Destroy NaCl : 467228. / 1274628. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.14865246 Potential at right wall /kT = -1.16855493 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6936302 Potential at right wall /mV = -30.2081255 ________________________________________________________________________ Capacitance of left DL = 0.0333984173 Capacitance of right DL = 0.0328295859 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68386283 Capacitance of right DL [F/m2] = 1.6551838 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49386109 Adsorption of ion 1 on right wall = -4.96076362 Adsorption of ion 2 on left wall = -5.36699937 Adsorption of ion 2 on right wall = 6.74841004 ------------------------------------------------------------------------ net charge in left DL = -11.8608605 8.26587699 net charge in right DL = 11.7091737 -8.26587699 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.785622759 Relative adsorption of ion 1 on right wall = -0.600149703 Relative adsorption of ion 2 on left wall = -0.649295819 Relative adsorption of ion 2 on right wall = 0.816417912 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 430------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00911694773 Right electrode charge = -0.00911694773 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99844 Bulk concentration of Na = 0.99898 ________________________________________________________________________ Average electrode charge 1 = 0.00782444577 Average electrode charge 2 = -0.00782444577 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396164 -0.568954 -0.566369 ________________________________________________________________________ Electrode charge exchange: 0.0634592826 Move Jump Cl: 0.93415 0.36874 Na: 0.93459 0.36959 ________________________________________________________________________ Create NaCl : 472830. / 1287915. = 0.36713 Destroy NaCl : 472831. / 1289719. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.1543083 Potential at right wall /kT = -1.17294378 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8398382 Potential at right wall /mV = -30.3215811 ________________________________________________________________________ Capacitance of left DL = 0.0549943787 Capacitance of right DL = 0.0541206395 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6756123 Capacitance of right DL [F/m2] = 1.64899053 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44601053 Adsorption of ion 1 on right wall = -4.99324412 Adsorption of ion 2 on left wall = -5.41448628 Adsorption of ion 2 on right wall = 6.70954046 ------------------------------------------------------------------------ net charge in left DL = -11.8604968 13.6777455 net charge in right DL = 11.7027846 -13.6777455 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.471277266 Relative adsorption of ion 1 on right wall = -0.365063388 Relative adsorption of ion 2 on left wall = -0.395861019 Relative adsorption of ion 2 on right wall = 0.490544326 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 435------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00865499112 Right electrode charge = -0.00865499112 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99839 Bulk concentration of Na = 0.99889 ________________________________________________________________________ Average electrode charge 1 = 0.00782493025 Average electrode charge 2 = -0.00782493025 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396024 -0.568954 -0.566229 ________________________________________________________________________ Electrode charge exchange: 0.0634612753 Move Jump Cl: 0.93416 0.36879 Na: 0.93457 0.36963 ________________________________________________________________________ Create NaCl : 478253. / 1302879. = 0.36707 Destroy NaCl : 478264. / 1304701. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.15805569 Potential at right wall /kT = -1.1755405 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9367115 Potential at right wall /mV = -30.3887083 ________________________________________________________________________ Capacitance of left DL = 0.0520388671 Capacitance of right DL = 0.0512648493 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67019013 Capacitance of right DL [F/m2] = 1.64534798 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43775496 Adsorption of ion 1 on right wall = -4.94637455 Adsorption of ion 2 on left wall = -5.41932326 Adsorption of ion 2 on right wall = 6.76612655 ------------------------------------------------------------------------ net charge in left DL = -11.8570782 12.9846929 net charge in right DL = 11.7125011 -12.9846929 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495795705 Relative adsorption of ion 1 on right wall = -0.380938894 Relative adsorption of ion 2 on left wall = -0.417362452 Relative adsorption of ion 2 on right wall = 0.521084836 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 440------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00712363068 Right electrode charge = -0.00712363068 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99848 Bulk concentration of Na = 0.99896 ________________________________________________________________________ Average electrode charge 1 = 0.0078251309 Average electrode charge 2 = -0.0078251309 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396195 -0.568954 -0.566400 ________________________________________________________________________ Electrode charge exchange: 0.0634697769 Move Jump Cl: 0.93419 0.36880 Na: 0.93461 0.36965 ________________________________________________________________________ Create NaCl : 483753. / 1317981. = 0.36704 Destroy NaCl : 483761. / 1319789. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.1621798 Potential at right wall /kT = -1.1799492 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0433233 Potential at right wall /mV = -30.5026771 ________________________________________________________________________ Capacitance of left DL = 0.0426794411 Capacitance of right DL = 0.0420367118 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66426329 Capacitance of right DL [F/m2] = 1.63920038 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43724072 Adsorption of ion 1 on right wall = -4.98605776 Adsorption of ion 2 on left wall = -5.42111926 Adsorption of ion 2 on right wall = 6.73176369 ------------------------------------------------------------------------ net charge in left DL = -11.85836 10.6872619 net charge in right DL = 11.7178215 -10.6872619 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.602328342 Relative adsorption of ion 1 on right wall = -0.466542116 Relative adsorption of ion 2 on left wall = -0.507250532 Relative adsorption of ion 2 on right wall = 0.629886661 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 445------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00684285723 Right electrode charge = -0.00684285723 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99850 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00782390695 Average electrode charge 2 = -0.00782390695 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396325 -0.568954 -0.566530 ________________________________________________________________________ Electrode charge exchange: 0.0634826907 Move Jump Cl: 0.93420 0.36885 Na: 0.93461 0.36959 ________________________________________________________________________ Create NaCl : 489391. / 1333046. = 0.36712 Destroy NaCl : 489390. / 1334739. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.17030283 Potential at right wall /kT = -1.18828283 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2533103 Potential at right wall /mV = -30.7181083 ________________________________________________________________________ Capacitance of left DL = 0.0407126972 Capacitance of right DL = 0.0400966704 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6527117 Capacitance of right DL [F/m2] = 1.6277044 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47712943 Adsorption of ion 1 on right wall = -4.96181158 Adsorption of ion 2 on left wall = -5.3994018 Adsorption of ion 2 on right wall = 6.74630139 ------------------------------------------------------------------------ net charge in left DL = -11.8765312 10.2660301 net charge in right DL = 11.708113 -10.2660301 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.630928349 Relative adsorption of ion 1 on right wall = -0.483323302 Relative adsorption of ion 2 on left wall = -0.525948369 Relative adsorption of ion 2 on right wall = 0.657148022 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 450------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0112635508 Right electrode charge = -0.0112635508 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99846 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00782018527 Average electrode charge 2 = -0.00782018527 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396321 -0.568954 -0.566525 ________________________________________________________________________ Electrode charge exchange: 0.0634756655 Move Jump Cl: 0.93415 0.36879 Na: 0.93461 0.36959 ________________________________________________________________________ Create NaCl : 494884. / 1347876. = 0.36716 Destroy NaCl : 494889. / 1349838. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.16967181 Potential at right wall /kT = -1.1874079 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2369978 Potential at right wall /mV = -30.6954908 ________________________________________________________________________ Capacitance of left DL = 0.0670504898 Capacitance of right DL = 0.0660489686 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65360332 Capacitance of right DL [F/m2] = 1.62890375 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48149448 Adsorption of ion 1 on right wall = -4.99068885 Adsorption of ion 2 on left wall = -5.39945849 Adsorption of ion 2 on right wall = 6.70133781 ------------------------------------------------------------------------ net charge in left DL = -11.880953 16.8981974 net charge in right DL = 11.6920267 -16.8981974 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.383561296 Relative adsorption of ion 1 on right wall = -0.295338534 Relative adsorption of ion 2 on left wall = -0.319528667 Relative adsorption of ion 2 on right wall = 0.396571164 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 455------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00665583011 Right electrode charge = -0.00665583011 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99840 Bulk concentration of Na = 0.99907 ________________________________________________________________________ Average electrode charge 1 = 0.00782419725 Average electrode charge 2 = -0.00782419725 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396217 -0.568954 -0.566421 ________________________________________________________________________ Electrode charge exchange: 0.0634676155 Move Jump Cl: 0.93415 0.36880 Na: 0.93456 0.36959 ________________________________________________________________________ Create NaCl : 500233. / 1362733. = 0.36708 Destroy NaCl : 500246. / 1364865. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.1776075 Potential at right wall /kT = -1.19455715 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4421422 Potential at right wall /mV = -30.8803047 ________________________________________________________________________ Capacitance of left DL = 0.0393543113 Capacitance of right DL = 0.0387959106 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64245997 Capacitance of right DL [F/m2] = 1.61915501 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49659446 Adsorption of ion 1 on right wall = -5.02403613 Adsorption of ion 2 on left wall = -5.39949473 Adsorption of ion 2 on right wall = 6.6751223 ------------------------------------------------------------------------ net charge in left DL = -11.8960892 9.98544177 net charge in right DL = 11.6991584 -9.98544177 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.650606614 Relative adsorption of ion 1 on right wall = -0.50313609 Relative adsorption of ion 2 on left wall = -0.54073669 Relative adsorption of ion 2 on right wall = 0.668485427 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 460------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00840446042 Right electrode charge = -0.00840446042 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99831 Bulk concentration of Na = 0.99896 ________________________________________________________________________ Average electrode charge 1 = 0.00782491724 Average electrode charge 2 = -0.00782491724 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396014 -0.568954 -0.566219 ________________________________________________________________________ Electrode charge exchange: 0.0634841245 Move Jump Cl: 0.93421 0.36878 Na: 0.93461 0.36961 ________________________________________________________________________ Create NaCl : 505767. / 1377664. = 0.36712 Destroy NaCl : 505793. / 1379903. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.17905104 Potential at right wall /kT = -1.19647891 ------------------------------------------------------------------------ Potential at left wall /mV = 30.479459 Potential at right wall /mV = -30.929984 ________________________________________________________________________ Capacitance of left DL = 0.0496326977 Capacitance of right DL = 0.0489097497 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64044907 Capacitance of right DL [F/m2] = 1.61655435 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49562179 Adsorption of ion 1 on right wall = -5.03444253 Adsorption of ion 2 on left wall = -5.39901646 Adsorption of ion 2 on right wall = 6.66968082 ------------------------------------------------------------------------ net charge in left DL = -11.8946382 12.608833 net charge in right DL = 11.7041233 -12.608833 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.515164393 Relative adsorption of ion 1 on right wall = -0.399279025 Relative adsorption of ion 2 on left wall = -0.428193194 Relative adsorption of ion 2 on right wall = 0.528968925 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 465------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00809408817 Right electrode charge = -0.00809408817 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99815 Bulk concentration of Na = 0.99873 ________________________________________________________________________ Average electrode charge 1 = 0.00782683009 Average electrode charge 2 = -0.00782683009 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395628 -0.568954 -0.565833 ________________________________________________________________________ Electrode charge exchange: 0.0634850127 Move Jump Cl: 0.93423 0.36877 Na: 0.93463 0.36959 ________________________________________________________________________ Create NaCl : 511246. / 1392572. = 0.36712 Destroy NaCl : 511248. / 1394742. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.17875157 Potential at right wall /kT = -1.19549936 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4717172 Potential at right wall /mV = -30.9046616 ________________________________________________________________________ Capacitance of left DL = 0.0478119328 Capacitance of right DL = 0.0471421339 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64086585 Capacitance of right DL [F/m2] = 1.6178789 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53426548 Adsorption of ion 1 on right wall = -5.04875889 Adsorption of ion 2 on left wall = -5.35250179 Adsorption of ion 2 on right wall = 6.66731828 ------------------------------------------------------------------------ net charge in left DL = -11.8867673 12.1431955 net charge in right DL = 11.7160772 -12.1431955 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.538100988 Relative adsorption of ion 1 on right wall = -0.41576856 Relative adsorption of ion 2 on left wall = -0.440781984 Relative adsorption of ion 2 on right wall = 0.549057972 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 470------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100622295 Right electrode charge = -0.0100622295 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99817 Bulk concentration of Na = 0.99877 ________________________________________________________________________ Average electrode charge 1 = 0.00782654407 Average electrode charge 2 = -0.00782654407 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395692 -0.568954 -0.565897 ________________________________________________________________________ Electrode charge exchange: 0.063489712 Move Jump Cl: 0.93423 0.36869 Na: 0.93462 0.36948 ________________________________________________________________________ Create NaCl : 516655. / 1407671. = 0.36703 Destroy NaCl : 516658. / 1409658. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.18241498 Potential at right wall /kT = -1.19763914 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5664194 Potential at right wall /mV = -30.9599769 ________________________________________________________________________ Capacitance of left DL = 0.0592536283 Capacitance of right DL = 0.0585004072 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63578204 Capacitance of right DL [F/m2] = 1.61498829 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56259662 Adsorption of ion 1 on right wall = -5.04158157 Adsorption of ion 2 on left wall = -5.32764302 Adsorption of ion 2 on right wall = 6.67435574 ------------------------------------------------------------------------ net charge in left DL = -11.8902396 15.0959091 net charge in right DL = 11.7159373 -15.0959091 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.434726823 Relative adsorption of ion 1 on right wall = -0.333970053 Relative adsorption of ion 2 on left wall = -0.352919653 Relative adsorption of ion 2 on right wall = 0.442130095 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 475------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00622604955 Right electrode charge = -0.00622604955 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99813 Bulk concentration of Na = 0.99875 ________________________________________________________________________ Average electrode charge 1 = 0.00782378336 Average electrode charge 2 = -0.00782378336 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395635 -0.568954 -0.565840 ________________________________________________________________________ Electrode charge exchange: 0.0634943331 Move Jump Cl: 0.93427 0.36879 Na: 0.93465 0.36957 ________________________________________________________________________ Create NaCl : 522184. / 1422742. = 0.36703 Destroy NaCl : 522186. / 1424661. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.17609199 Potential at right wall /kT = -1.18884035 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4029649 Potential at right wall /mV = -30.7325206 ________________________________________________________________________ Capacitance of left DL = 0.0368605604 Capacitance of right DL = 0.0364652915 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64457645 Capacitance of right DL [F/m2] = 1.62694107 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54549941 Adsorption of ion 1 on right wall = -5.02289656 Adsorption of ion 2 on left wall = -5.33868075 Adsorption of ion 2 on right wall = 6.67994258 ------------------------------------------------------------------------ net charge in left DL = -11.8841802 9.34066137 net charge in right DL = 11.7028391 -9.34066137 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.700753314 Relative adsorption of ion 1 on right wall = -0.537745279 Relative adsorption of ion 2 on left wall = -0.571552756 Relative adsorption of ion 2 on right wall = 0.715146638 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 480------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00917413546 Right electrode charge = -0.00917413546 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99832 Bulk concentration of Na = 0.99889 ________________________________________________________________________ Average electrode charge 1 = 0.0078333267 Average electrode charge 2 = -0.0078333267 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395957 -0.568954 -0.566162 ________________________________________________________________________ Electrode charge exchange: 0.0634824219 Move Jump Cl: 0.93427 0.36881 Na: 0.93464 0.36955 ________________________________________________________________________ Create NaCl : 527566. / 1437690. = 0.36695 Destroy NaCl : 527584. / 1439531. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.17234949 Potential at right wall /kT = -1.18588449 ------------------------------------------------------------------------ Potential at left wall /mV = 30.306218 Potential at right wall /mV = -30.6561092 ________________________________________________________________________ Capacitance of left DL = 0.0544877286 Capacitance of right DL = 0.0538658371 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64982645 Capacitance of right DL [F/m2] = 1.63099628 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56961748 Adsorption of ion 1 on right wall = -5.06057019 Adsorption of ion 2 on left wall = -5.31857057 Adsorption of ion 2 on right wall = 6.66097891 ------------------------------------------------------------------------ net charge in left DL = -11.888188 13.7635417 net charge in right DL = 11.7215491 -13.7635417 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.477320272 Relative adsorption of ion 1 on right wall = -0.367679359 Relative adsorption of ion 2 on left wall = -0.386424561 Relative adsorption of ion 2 on right wall = 0.483958203 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 485------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00690384196 Right electrode charge = -0.00690384196 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99825 Bulk concentration of Na = 0.99882 ________________________________________________________________________ Average electrode charge 1 = 0.00784208655 Average electrode charge 2 = -0.00784208655 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395822 -0.568954 -0.566027 ________________________________________________________________________ Electrode charge exchange: 0.0634758887 Move Jump Cl: 0.93428 0.36883 Na: 0.93464 0.36950 ________________________________________________________________________ Create NaCl : 533139. / 1452696. = 0.36700 Destroy NaCl : 533133. / 1454620. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.169434 Potential at right wall /kT = -1.18244668 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2308502 Potential at right wall /mV = -30.5672389 ________________________________________________________________________ Capacitance of left DL = 0.0411060531 Capacitance of right DL = 0.0406536861 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65393959 Capacitance of right DL [F/m2] = 1.63573819 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56032306 Adsorption of ion 1 on right wall = -5.05673038 Adsorption of ion 2 on left wall = -5.33784659 Adsorption of ion 2 on right wall = 6.67518485 ------------------------------------------------------------------------ net charge in left DL = -11.8981697 10.3575228 net charge in right DL = 11.7319152 -10.3575228 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.633387269 Relative adsorption of ion 1 on right wall = -0.488218128 Relative adsorption of ion 2 on left wall = -0.515359388 Relative adsorption of ion 2 on right wall = 0.644476967 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 490------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00903251709 Right electrode charge = -0.00903251709 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99839 Bulk concentration of Na = 0.99898 ________________________________________________________________________ Average electrode charge 1 = 0.00784569613 Average electrode charge 2 = -0.00784569613 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396126 -0.568954 -0.566331 ________________________________________________________________________ Electrode charge exchange: 0.0634718236 Move Jump Cl: 0.93424 0.36884 Na: 0.93463 0.36945 ________________________________________________________________________ Create NaCl : 538668. / 1467768. = 0.36700 Destroy NaCl : 538676. / 1469543. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.16791492 Potential at right wall /kT = -1.17964832 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1915807 Potential at right wall /mV = -30.494899 ________________________________________________________________________ Capacitance of left DL = 0.0538503139 Capacitance of right DL = 0.0533146905 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65609083 Capacitance of right DL [F/m2] = 1.63961848 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53333273 Adsorption of ion 1 on right wall = -5.06650367 Adsorption of ion 2 on left wall = -5.37186304 Adsorption of ion 2 on right wall = 6.6657737 ------------------------------------------------------------------------ net charge in left DL = -11.9051958 13.5510781 net charge in right DL = 11.7322774 -13.5510781 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.482126418 Relative adsorption of ion 1 on right wall = -0.373881963 Relative adsorption of ion 2 on left wall = -0.396415917 Relative adsorption of ion 2 on right wall = 0.491899882 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 495------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0088099504 Right electrode charge = -0.0088099504 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99873 Bulk concentration of Na = 0.99937 ________________________________________________________________________ Average electrode charge 1 = 0.00785275076 Average electrode charge 2 = -0.00785275076 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396846 -0.568954 -0.567050 ________________________________________________________________________ Electrode charge exchange: 0.0634712586 Move Jump Cl: 0.93423 0.36881 Na: 0.93458 0.36939 ________________________________________________________________________ Create NaCl : 544092. / 1482875. = 0.36692 Destroy NaCl : 544097. / 1484517. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.17741385 Potential at right wall /kT = -1.18763667 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4371361 Potential at right wall /mV = -30.7014047 ________________________________________________________________________ Capacitance of left DL = 0.0520996704 Capacitance of right DL = 0.0516512119 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64273011 Capacitance of right DL [F/m2] = 1.62858998 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5295409 Adsorption of ion 1 on right wall = -5.08420473 Adsorption of ion 2 on left wall = -5.39867686 Adsorption of ion 2 on right wall = 6.65803947 ------------------------------------------------------------------------ net charge in left DL = -11.9282178 13.2171713 net charge in right DL = 11.7422442 -13.2171713 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.494019541 Relative adsorption of ion 1 on right wall = -0.384666629 Relative adsorption of ion 2 on left wall = -0.408459324 Relative adsorption of ion 2 on right wall = 0.503741635 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 500------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00561530441 Right electrode charge = -0.00561530441 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99848 Bulk concentration of Na = 0.99915 ________________________________________________________________________ Average electrode charge 1 = 0.00785360939 Average electrode charge 2 = -0.00785360939 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396369 -0.568954 -0.566573 ________________________________________________________________________ Electrode charge exchange: 0.0634693388 Move Jump Cl: 0.93419 0.36881 Na: 0.93459 0.36939 ________________________________________________________________________ Create NaCl : 549590. / 1497841. = 0.36692 Destroy NaCl : 549611. / 1499562. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.17560988 Potential at right wall /kT = -1.18578129 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3905018 Potential at right wall /mV = -30.6534415 ________________________________________________________________________ Capacitance of left DL = 0.0332583525 Capacitance of right DL = 0.0329730683 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64525088 Capacitance of right DL [F/m2] = 1.63113822 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55445136 Adsorption of ion 1 on right wall = -5.05335514 Adsorption of ion 2 on left wall = -5.37873528 Adsorption of ion 2 on right wall = 6.68376722 ------------------------------------------------------------------------ net charge in left DL = -11.9331866 8.42438797 net charge in right DL = 11.7371224 -8.42438797 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.778032943 Relative adsorption of ion 1 on right wall = -0.599848339 Relative adsorption of ion 2 on left wall = -0.638471934 Relative adsorption of ion 2 on right wall = 0.793383121 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 505------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00872519653 Right electrode charge = -0.00872519653 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 317 -1.00 3.0000 1.5000 Na ion: 317 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99844 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00785108657 Average electrode charge 2 = -0.00785108657 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396330 -0.568954 -0.566534 ________________________________________________________________________ Electrode charge exchange: 0.0634633404 Move Jump Cl: 0.93416 0.36884 Na: 0.93457 0.36942 ________________________________________________________________________ Create NaCl : 555235. / 1512777. = 0.36703 Destroy NaCl : 555218. / 1514682. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.16855978 Potential at right wall /kT = -1.17817169 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2082511 Potential at right wall /mV = -30.4567269 ________________________________________________________________________ Capacitance of left DL = 0.0519894155 Capacitance of right DL = 0.0515652691 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65517692 Capacitance of right DL [F/m2] = 1.64167345 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55510235 Adsorption of ion 1 on right wall = -5.06345607 Adsorption of ion 2 on left wall = -5.37383769 Adsorption of ion 2 on right wall = 6.65997947 ------------------------------------------------------------------------ net charge in left DL = -11.92894 13.0900189 net charge in right DL = 11.7234355 -13.0900189 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.500771038 Relative adsorption of ion 1 on right wall = -0.386818087 Relative adsorption of ion 2 on left wall = -0.410529407 Relative adsorption of ion 2 on right wall = 0.50878303 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 510------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00769993945 Right electrode charge = -0.00769993945 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99857 Bulk concentration of Na = 0.99929 ________________________________________________________________________ Average electrode charge 1 = 0.00785013841 Average electrode charge 2 = -0.00785013841 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396600 -0.568954 -0.566805 ________________________________________________________________________ Electrode charge exchange: 0.0634883318 Move Jump Cl: 0.93418 0.36884 Na: 0.93459 0.36942 ________________________________________________________________________ Create NaCl : 560752. / 1527910. = 0.36701 Destroy NaCl : 560780. / 1529693. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.17938276 Potential at right wall /kT = -1.18859525 ------------------------------------------------------------------------ Potential at left wall /mV = 30.488034 Potential at right wall /mV = -30.7261846 ________________________________________________________________________ Capacitance of left DL = 0.0454593466 Capacitance of right DL = 0.0451070031 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63998768 Capacitance of right DL [F/m2] = 1.62727656 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54996289 Adsorption of ion 1 on right wall = -5.06134316 Adsorption of ion 2 on left wall = -5.38796887 Adsorption of ion 2 on right wall = 6.66585581 ------------------------------------------------------------------------ net charge in left DL = -11.9379318 11.5518719 net charge in right DL = 11.727199 -11.5518719 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.567004459 Relative adsorption of ion 1 on right wall = -0.438140519 Relative adsorption of ion 2 on left wall = -0.466415219 Relative adsorption of ion 2 on right wall = 0.577036852 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 515------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00837971256 Right electrode charge = -0.00837971256 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99849 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00785291466 Average electrode charge 2 = -0.00785291466 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396505 -0.568954 -0.566710 ________________________________________________________________________ Electrode charge exchange: 0.0634934399 Move Jump Cl: 0.93417 0.36873 Na: 0.93457 0.36940 ________________________________________________________________________ Create NaCl : 566192. / 1542853. = 0.36698 Destroy NaCl : 566179. / 1544600. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.17524688 Potential at right wall /kT = -1.18438448 ------------------------------------------------------------------------ Potential at left wall /mV = 30.381118 Potential at right wall /mV = -30.6173327 ________________________________________________________________________ Capacitance of left DL = 0.0496467323 Capacitance of right DL = 0.0492637046 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64575905 Capacitance of right DL [F/m2] = 1.63306192 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54221864 Adsorption of ion 1 on right wall = -5.0191702 Adsorption of ion 2 on left wall = -5.40360884 Adsorption of ion 2 on right wall = 6.70187676 ------------------------------------------------------------------------ net charge in left DL = -11.9458275 12.5717049 net charge in right DL = 11.721047 -12.5717049 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.520392318 Relative adsorption of ion 1 on right wall = -0.3992434 Relative adsorption of ion 2 on left wall = -0.429823075 Relative adsorption of ion 2 on right wall = 0.533092117 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 520------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00627814869 Right electrode charge = -0.00627814869 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 270 -1.00 3.0000 1.5000 Na ion: 270 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99848 Bulk concentration of Na = 0.99931 ________________________________________________________________________ Average electrode charge 1 = 0.00786061567 Average electrode charge 2 = -0.00786061567 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396537 -0.568954 -0.566741 ________________________________________________________________________ Electrode charge exchange: 0.0635016023 Move Jump Cl: 0.93424 0.36872 Na: 0.93457 0.36942 ________________________________________________________________________ Create NaCl : 571692. / 1557808. = 0.36698 Destroy NaCl : 571722. / 1559681. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.18223236 Potential at right wall /kT = -1.18930342 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5616986 Potential at right wall /mV = -30.7444915 ________________________________________________________________________ Capacitance of left DL = 0.0369759557 Capacitance of right DL = 0.0367561133 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63603472 Capacitance of right DL [F/m2] = 1.62630759 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5642344 Adsorption of ion 1 on right wall = -5.03952586 Adsorption of ion 2 on left wall = -5.40472623 Adsorption of ion 2 on right wall = 6.68890807 ------------------------------------------------------------------------ net charge in left DL = -11.9689606 9.41882337 net charge in right DL = 11.7284339 -9.41882337 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.696927221 Relative adsorption of ion 1 on right wall = -0.535048346 Relative adsorption of ion 2 on left wall = -0.573821805 Relative adsorption of ion 2 on right wall = 0.710163871 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 525------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00622367437 Right electrode charge = -0.00622367437 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99865 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.00785833124 Average electrode charge 2 = -0.00785833124 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396837 -0.568954 -0.567041 ________________________________________________________________________ Electrode charge exchange: 0.0634980661 Move Jump Cl: 0.93420 0.36865 Na: 0.93458 0.36942 ________________________________________________________________________ Create NaCl : 577134. / 1572913. = 0.36692 Destroy NaCl : 577142. / 1574573. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.17405609 Potential at right wall /kT = -1.18082596 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3503351 Potential at right wall /mV = -30.5253421 ________________________________________________________________________ Capacitance of left DL = 0.0369103931 Capacitance of right DL = 0.0366987795 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64742827 Capacitance of right DL [F/m2] = 1.63798328 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.537235 Adsorption of ion 1 on right wall = -5.02473944 Adsorption of ion 2 on left wall = -5.41835806 Adsorption of ion 2 on right wall = 6.698584 ------------------------------------------------------------------------ net charge in left DL = -11.9555931 9.337098 net charge in right DL = 11.7233234 -9.337098 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.700135631 Relative adsorption of ion 1 on right wall = -0.538147875 Relative adsorption of ion 2 on left wall = -0.580304294 Relative adsorption of ion 2 on right wall = 0.717416054 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 530------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0092018977 Right electrode charge = -0.0092018977 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99856 Bulk concentration of Na = 0.99931 ________________________________________________________________________ Average electrode charge 1 = 0.00785860887 Average electrode charge 2 = -0.00785860887 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396620 -0.568954 -0.566825 ________________________________________________________________________ Electrode charge exchange: 0.0634937225 Move Jump Cl: 0.93421 0.36872 Na: 0.93456 0.36946 ________________________________________________________________________ Create NaCl : 582688. / 1588053. = 0.36692 Destroy NaCl : 582707. / 1589609. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.17737332 Potential at right wall /kT = -1.18443218 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4360884 Potential at right wall /mV = -30.6185659 ________________________________________________________________________ Capacitance of left DL = 0.0544194143 Capacitance of right DL = 0.0540950908 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64278666 Capacitance of right DL [F/m2] = 1.63299614 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54585371 Adsorption of ion 1 on right wall = -5.00842381 Adsorption of ion 2 on left wall = -5.40723349 Adsorption of ion 2 on right wall = 6.72361478 ------------------------------------------------------------------------ net charge in left DL = -11.9530872 13.8051922 net charge in right DL = 11.7320386 -13.8051922 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.474158826 Relative adsorption of ion 1 on right wall = -0.362792763 Relative adsorption of ion 2 on left wall = -0.391681146 Relative adsorption of ion 2 on right wall = 0.487035219 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 535------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00821831714 Right electrode charge = -0.00821831714 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99878 Bulk concentration of Na = 0.99954 ________________________________________________________________________ Average electrode charge 1 = 0.00786516697 Average electrode charge 2 = -0.00786516697 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397069 -0.568954 -0.567274 ________________________________________________________________________ Electrode charge exchange: 0.0634843634 Move Jump Cl: 0.93420 0.36866 Na: 0.93454 0.36947 ________________________________________________________________________ Create NaCl : 588066. / 1603096. = 0.36683 Destroy NaCl : 588074. / 1604656. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.19050115 Potential at right wall /kT = -1.1973396 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7754537 Potential at right wall /mV = -30.9522335 ________________________________________________________________________ Capacitance of left DL = 0.0480666362 Capacitance of right DL = 0.0477921097 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62467142 Capacitance of right DL [F/m2] = 1.61539231 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55005494 Adsorption of ion 1 on right wall = -5.02774849 Adsorption of ion 2 on left wall = -5.42361259 Adsorption of ion 2 on right wall = 6.72132293 ------------------------------------------------------------------------ net charge in left DL = -11.9736675 12.3295706 net charge in right DL = 11.7490714 -12.3295706 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.531247612 Relative adsorption of ion 1 on right wall = -0.407779691 Relative adsorption of ion 2 on left wall = -0.439886575 Relative adsorption of ion 2 on right wall = 0.545138444 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 540------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101718723 Right electrode charge = -0.0101718723 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99946 ________________________________________________________________________ Average electrode charge 1 = 0.00786284513 Average electrode charge 2 = -0.00786284513 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396916 -0.568954 -0.567121 ________________________________________________________________________ Electrode charge exchange: 0.06348102 Move Jump Cl: 0.93420 0.36862 Na: 0.93457 0.36944 ________________________________________________________________________ Create NaCl : 593566. / 1618213. = 0.36680 Destroy NaCl : 593579. / 1619577. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.18988348 Potential at right wall /kT = -1.19548816 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7594865 Potential at right wall /mV = -30.9043723 ________________________________________________________________________ Capacitance of left DL = 0.059523316 Capacitance of right DL = 0.0592442589 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62551478 Capacitance of right DL [F/m2] = 1.61789405 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54497762 Adsorption of ion 1 on right wall = -5.02182454 Adsorption of ion 2 on left wall = -5.423449 Adsorption of ion 2 on right wall = 6.72406026 ------------------------------------------------------------------------ net charge in left DL = -11.9684266 15.2604013 net charge in right DL = 11.7458848 -15.2604013 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.428886337 Relative adsorption of ion 1 on right wall = -0.329075523 Relative adsorption of ion 2 on left wall = -0.355393603 Relative adsorption of ion 2 on right wall = 0.440621457 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 545------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00762627218 Right electrode charge = -0.00762627218 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99874 Bulk concentration of Na = 0.99947 ________________________________________________________________________ Average electrode charge 1 = 0.00784590748 Average electrode charge 2 = -0.00784590748 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396953 -0.568954 -0.567157 ________________________________________________________________________ Electrode charge exchange: 0.0634892539 Move Jump Cl: 0.93423 0.36875 Na: 0.93456 0.36943 ________________________________________________________________________ Create NaCl : 599060. / 1633218. = 0.36680 Destroy NaCl : 599058. / 1634446. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.19337661 Potential at right wall /kT = -1.1977379 ------------------------------------------------------------------------ Potential at left wall /mV = 30.8497868 Potential at right wall /mV = -30.9625299 ________________________________________________________________________ Capacitance of left DL = 0.0444964571 Capacitance of right DL = 0.0443344333 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62075674 Capacitance of right DL [F/m2] = 1.61485512 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50487914 Adsorption of ion 1 on right wall = -5.0152334 Adsorption of ion 2 on left wall = -5.43663334 Adsorption of ion 2 on right wall = 6.71328072 ------------------------------------------------------------------------ net charge in left DL = -11.9415125 11.4413522 net charge in right DL = 11.7285141 -11.4413522 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.568541113 Relative adsorption of ion 1 on right wall = -0.438342715 Relative adsorption of ion 2 on left wall = -0.47517402 Relative adsorption of ion 2 on right wall = 0.586755882 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 550------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00673053994 Right electrode charge = -0.00673053994 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99869 Bulk concentration of Na = 0.99939 ________________________________________________________________________ Average electrode charge 1 = 0.00783974549 Average electrode charge 2 = -0.00783974549 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396824 -0.568954 -0.567029 ________________________________________________________________________ Electrode charge exchange: 0.0635130086 Move Jump Cl: 0.93424 0.36878 Na: 0.93456 0.36938 ________________________________________________________________________ Create NaCl : 604571. / 1648219. = 0.36680 Destroy NaCl : 604581. / 1649603. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.18697041 Potential at right wall /kT = -1.19136521 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6841811 Potential at right wall /mV = -30.7977903 ________________________________________________________________________ Capacitance of left DL = 0.0394821385 Capacitance of right DL = 0.0393364938 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62950414 Capacitance of right DL [F/m2] = 1.6234931 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51442522 Adsorption of ion 1 on right wall = -5.01689584 Adsorption of ion 2 on left wall = -5.40989505 Adsorption of ion 2 on right wall = 6.70200995 ------------------------------------------------------------------------ net charge in left DL = -11.9243203 10.0975256 net charge in right DL = 11.7189058 -10.0975256 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.645150654 Relative adsorption of ion 1 on right wall = -0.496844084 Relative adsorption of ion 2 on left wall = -0.535764432 Relative adsorption of ion 2 on right wall = 0.663727951 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 555------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0119212682 Right electrode charge = -0.0119212682 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99864 Bulk concentration of Na = 0.99932 ________________________________________________________________________ Average electrode charge 1 = 0.0078433795 Average electrode charge 2 = -0.0078433795 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396708 -0.568954 -0.566913 ________________________________________________________________________ Electrode charge exchange: 0.0635150477 Move Jump Cl: 0.93427 0.36883 Na: 0.93458 0.36942 ________________________________________________________________________ Create NaCl : 610069. / 1663091. = 0.36683 Destroy NaCl : 610097. / 1664742. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.19199654 Potential at right wall /kT = -1.19605112 ------------------------------------------------------------------------ Potential at left wall /mV = 30.8141109 Potential at right wall /mV = -30.9189251 ________________________________________________________________________ Capacitance of left DL = 0.0696366894 Capacitance of right DL = 0.0694006233 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62263322 Capacitance of right DL [F/m2] = 1.61713255 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50649314 Adsorption of ion 1 on right wall = -5.03056992 Adsorption of ion 2 on left wall = -5.42268044 Adsorption of ion 2 on right wall = 6.70076071 ------------------------------------------------------------------------ net charge in left DL = -11.9291736 17.8849411 net charge in right DL = 11.7313306 -17.8849411 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.363797293 Relative adsorption of ion 1 on right wall = -0.281274056 Relative adsorption of ion 2 on left wall = -0.303198116 Relative adsorption of ion 2 on right wall = 0.374659367 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 560------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00433579187 Right electrode charge = -0.00433579187 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99857 Bulk concentration of Na = 0.99921 ________________________________________________________________________ Average electrode charge 1 = 0.00784668982 Average electrode charge 2 = -0.00784668982 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396531 -0.568954 -0.566735 ________________________________________________________________________ Electrode charge exchange: 0.0635261931 Move Jump Cl: 0.93425 0.36879 Na: 0.93459 0.36952 ________________________________________________________________________ Create NaCl : 615570. / 1678169. = 0.36681 Destroy NaCl : 615586. / 1679616. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.18654127 Potential at right wall /kT = -1.18994891 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6730876 Potential at right wall /mV = -30.761178 ________________________________________________________________________ Capacitance of left DL = 0.0254434635 Capacitance of right DL = 0.0253706014 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63009347 Capacitance of right DL [F/m2] = 1.6254254 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51416294 Adsorption of ion 1 on right wall = -5.02610819 Adsorption of ion 2 on left wall = -5.41122916 Adsorption of ion 2 on right wall = 6.71057858 ------------------------------------------------------------------------ net charge in left DL = -11.9253921 6.50479301 net charge in right DL = 11.7366868 -6.50479301 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.00144046 Relative adsorption of ion 1 on right wall = -0.772677652 Relative adsorption of ion 2 on left wall = -0.831883374 Relative adsorption of ion 2 on right wall = 1.03163599 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 565------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00867788073 Right electrode charge = -0.00867788073 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99840 Bulk concentration of Na = 0.99901 ________________________________________________________________________ Average electrode charge 1 = 0.00784353056 Average electrode charge 2 = -0.00784353056 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396157 -0.568954 -0.566362 ________________________________________________________________________ Electrode charge exchange: 0.0635228157 Move Jump Cl: 0.93426 0.36883 Na: 0.93457 0.36956 ________________________________________________________________________ Create NaCl : 621060. / 1693094. = 0.36682 Destroy NaCl : 621063. / 1694524. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.18662595 Potential at right wall /kT = -1.19170009 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6752767 Potential at right wall /mV = -30.8064473 ________________________________________________________________________ Capacitance of left DL = 0.0509202452 Capacitance of right DL = 0.0507034322 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62997714 Capacitance of right DL [F/m2] = 1.62303688 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50896412 Adsorption of ion 1 on right wall = -5.01997732 Adsorption of ion 2 on left wall = -5.40767082 Adsorption of ion 2 on right wall = 6.71798065 ------------------------------------------------------------------------ net charge in left DL = -11.9166349 13.0190331 net charge in right DL = 11.737958 -13.0190331 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.499957567 Relative adsorption of ion 1 on right wall = -0.385587568 Relative adsorption of ion 2 on left wall = -0.415366546 Relative adsorption of ion 2 on right wall = 0.516012256 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 570------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00880716096 Right electrode charge = -0.00880716096 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00784030195 Average electrode charge 2 = -0.00784030195 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396496 -0.568954 -0.566700 ________________________________________________________________________ Electrode charge exchange: 0.063529386 Move Jump Cl: 0.93427 0.36880 Na: 0.93457 0.36954 ________________________________________________________________________ Create NaCl : 626530. / 1708023. = 0.36682 Destroy NaCl : 626539. / 1709425. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.1794676 Potential at right wall /kT = -1.18577287 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4902272 Potential at right wall /mV = -30.6532237 ________________________________________________________________________ Capacitance of left DL = 0.0519924847 Capacitance of right DL = 0.051716018 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63986971 Capacitance of right DL [F/m2] = 1.63114981 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47284846 Adsorption of ion 1 on right wall = -5.01954306 Adsorption of ion 2 on left wall = -5.42784175 Adsorption of ion 2 on right wall = 6.71537696 ------------------------------------------------------------------------ net charge in left DL = -11.9006902 13.2129864 net charge in right DL = 11.73492 -13.2129864 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.489885348 Relative adsorption of ion 1 on right wall = -0.379894666 Relative adsorption of ion 2 on left wall = -0.410795983 Relative adsorption of ion 2 on right wall = 0.508240661 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 575------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0072430639 Right electrode charge = -0.0072430639 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99857 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00784342867 Average electrode charge 2 = -0.00784342867 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396471 -0.568954 -0.566676 ________________________________________________________________________ Electrode charge exchange: 0.0635292893 Move Jump Cl: 0.93427 0.36881 Na: 0.93456 0.36956 ________________________________________________________________________ Create NaCl : 632084. / 1723078. = 0.36683 Destroy NaCl : 632097. / 1724536. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.18526825 Potential at right wall /kT = -1.19030997 ------------------------------------------------------------------------ Potential at left wall /mV = 30.640179 Potential at right wall /mV = -30.7705117 ________________________________________________________________________ Capacitance of left DL = 0.0425496818 Capacitance of right DL = 0.0423694569 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63184425 Capacitance of right DL [F/m2] = 1.62493235 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47409584 Adsorption of ion 1 on right wall = -5.01620938 Adsorption of ion 2 on left wall = -5.43841892 Adsorption of ion 2 on right wall = 6.72323934 ------------------------------------------------------------------------ net charge in left DL = -11.9125148 10.8664421 net charge in right DL = 11.7394487 -10.8664421 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.595788001 Relative adsorption of ion 1 on right wall = -0.461623898 Relative adsorption of ion 2 on left wall = -0.50047834 Relative adsorption of ion 2 on right wall = 0.61871579 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 580------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00561710224 Right electrode charge = -0.00561710224 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99856 Bulk concentration of Na = 0.99927 ________________________________________________________________________ Average electrode charge 1 = 0.00784500539 Average electrode charge 2 = -0.00784500539 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396577 -0.568954 -0.566782 ________________________________________________________________________ Electrode charge exchange: 0.0635241007 Move Jump Cl: 0.93425 0.36886 Na: 0.93455 0.36951 ________________________________________________________________________ Create NaCl : 637523. / 1738155. = 0.36678 Destroy NaCl : 637547. / 1739518. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.18725266 Potential at right wall /kT = -1.19147861 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6914776 Potential at right wall /mV = -30.800722 ________________________________________________________________________ Capacitance of left DL = 0.0329427484 Capacitance of right DL = 0.0328259066 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62911674 Capacitance of right DL [F/m2] = 1.62333857 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47731141 Adsorption of ion 1 on right wall = -4.98781459 Adsorption of ion 2 on left wall = -5.45525544 Adsorption of ion 2 on right wall = 6.7374855 ------------------------------------------------------------------------ net charge in left DL = -11.9325669 8.42708518 net charge in right DL = 11.7253001 -8.42708518 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.76863011 Relative adsorption of ion 1 on right wall = -0.591878981 Relative adsorption of ion 2 on left wall = -0.647347846 Relative adsorption of ion 2 on right wall = 0.799503667 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 585------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0079677584 Right electrode charge = -0.0079677584 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99850 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00785075177 Average electrode charge 2 = -0.00785075177 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396408 -0.568954 -0.566613 ________________________________________________________________________ Electrode charge exchange: 0.0635200541 Move Jump Cl: 0.93417 0.36886 Na: 0.93454 0.36946 ________________________________________________________________________ Create NaCl : 643037. / 1753191. = 0.36678 Destroy NaCl : 643051. / 1754661. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.18923611 Potential at right wall /kT = -1.19197939 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7427514 Potential at right wall /mV = -30.8136676 ________________________________________________________________________ Capacitance of left DL = 0.04665076 Capacitance of right DL = 0.0465433954 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62639965 Capacitance of right DL [F/m2] = 1.62265656 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50145232 Adsorption of ion 1 on right wall = -4.99403158 Adsorption of ion 2 on left wall = -5.43259814 Adsorption of ion 2 on right wall = 6.74779773 ------------------------------------------------------------------------ net charge in left DL = -11.9340505 11.9536686 net charge in right DL = 11.7418293 -11.9536686 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.543887616 Relative adsorption of ion 1 on right wall = -0.417782335 Relative adsorption of ion 2 on left wall = -0.454471202 Relative adsorption of ion 2 on right wall = 0.564495967 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 590------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00803641494 Right electrode charge = -0.00803641494 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99863 Bulk concentration of Na = 0.99927 ________________________________________________________________________ Average electrode charge 1 = 0.00784762672 Average electrode charge 2 = -0.00784762672 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396652 -0.568954 -0.566856 ________________________________________________________________________ Electrode charge exchange: 0.0635298683 Move Jump Cl: 0.93418 0.36885 Na: 0.93455 0.36947 ________________________________________________________________________ Create NaCl : 648648. / 1768175. = 0.36685 Destroy NaCl : 648648. / 1769798. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.19092989 Potential at right wall /kT = -1.19281391 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7865372 Potential at right wall /mV = -30.8352405 ________________________________________________________________________ Capacitance of left DL = 0.0469858198 Capacitance of right DL = 0.0469116071 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62408652 Capacitance of right DL [F/m2] = 1.62152133 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47691616 Adsorption of ion 1 on right wall = -4.99886181 Adsorption of ion 2 on left wall = -5.45188709 Adsorption of ion 2 on right wall = 6.74115105 ------------------------------------------------------------------------ net charge in left DL = -11.9288032 12.0566709 net charge in right DL = 11.7400129 -12.0566709 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.537206016 Relative adsorption of ion 1 on right wall = -0.414613771 Relative adsorption of ion 2 on left wall = -0.452188429 Relative adsorption of ion 2 on right wall = 0.55912209 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 595------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00691176489 Right electrode charge = -0.00691176489 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99877 Bulk concentration of Na = 0.99933 ________________________________________________________________________ Average electrode charge 1 = 0.00785002076 Average electrode charge 2 = -0.00785002076 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396845 -0.568954 -0.567050 ________________________________________________________________________ Electrode charge exchange: 0.0635307091 Move Jump Cl: 0.93418 0.36886 Na: 0.93456 0.36950 ________________________________________________________________________ Create NaCl : 654122. / 1783103. = 0.36684 Destroy NaCl : 654117. / 1784837. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.19036371 Potential at right wall /kT = -1.19255557 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7719009 Potential at right wall /mV = -30.8285623 ________________________________________________________________________ Capacitance of left DL = 0.0404296453 Capacitance of right DL = 0.0403553375 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.624859 Capacitance of right DL [F/m2] = 1.62187258 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47242021 Adsorption of ion 1 on right wall = -5.01967349 Adsorption of ion 2 on left wall = -5.44740348 Adsorption of ion 2 on right wall = 6.73531346 ------------------------------------------------------------------------ net charge in left DL = -11.9198237 10.3694092 net charge in right DL = 11.754987 -10.3694092 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.624184088 Relative adsorption of ion 1 on right wall = -0.484084811 Relative adsorption of ion 2 on left wall = -0.525334027 Relative adsorption of ion 2 on right wall = 0.649536858 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 600------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0095260033 Right electrode charge = -0.0095260033 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 328 -1.00 3.0000 1.5000 Na ion: 328 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99903 Bulk concentration of Na = 0.99959 ________________________________________________________________________ Average electrode charge 1 = 0.00784391982 Average electrode charge 2 = -0.00784391982 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397370 -0.568954 -0.567575 ________________________________________________________________________ Electrode charge exchange: 0.0635262862 Move Jump Cl: 0.93414 0.36883 Na: 0.93456 0.36949 ________________________________________________________________________ Create NaCl : 659566. / 1798050. = 0.36682 Destroy NaCl : 659538. / 1799932. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.18335128 Potential at right wall /kT = -1.18432327 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5906237 Potential at right wall /mV = -30.6157505 ________________________________________________________________________ Capacitance of left DL = 0.0560515589 Capacitance of right DL = 0.0560055565 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63448776 Capacitance of right DL [F/m2] = 1.63314631 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45437114 Adsorption of ion 1 on right wall = -5.01955358 Adsorption of ion 2 on left wall = -5.45148797 Adsorption of ion 2 on right wall = 6.72092564 ------------------------------------------------------------------------ net charge in left DL = -11.9058591 14.2914332 net charge in right DL = 11.7404792 -14.2914332 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.451625185 Relative adsorption of ion 1 on right wall = -0.351228146 Relative adsorption of ion 2 on left wall = -0.381451455 Relative adsorption of ion 2 on right wall = 0.470276533 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 605------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00992696648 Right electrode charge = -0.00992696648 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99921 Bulk concentration of Na = 0.99979 ________________________________________________________________________ Average electrode charge 1 = 0.00784230411 Average electrode charge 2 = -0.00784230411 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397749 -0.568954 -0.567953 ________________________________________________________________________ Electrode charge exchange: 0.0635232377 Move Jump Cl: 0.93410 0.36888 Na: 0.93451 0.36946 ________________________________________________________________________ Create NaCl : 665044. / 1813031. = 0.36681 Destroy NaCl : 665052. / 1814888. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.17682981 Potential at right wall /kT = -1.17703626 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4220381 Potential at right wall /mV = -30.4273751 ________________________________________________________________________ Capacitance of left DL = 0.0587345369 Capacitance of right DL = 0.0587242347 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64354538 Capacitance of right DL [F/m2] = 1.64325709 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43087642 Adsorption of ion 1 on right wall = -5.00677991 Adsorption of ion 2 on left wall = -5.47002304 Adsorption of ion 2 on right wall = 6.72541925 ------------------------------------------------------------------------ net charge in left DL = -11.9008995 14.8929801 net charge in right DL = 11.7321992 -14.8929801 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.431805882 Relative adsorption of ion 1 on right wall = -0.336183884 Relative adsorption of ion 2 on left wall = -0.367288681 Relative adsorption of ion 2 on right wall = 0.451583174 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 610------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00892202945 Right electrode charge = -0.00892202945 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99930 Bulk concentration of Na = 0.99991 ________________________________________________________________________ Average electrode charge 1 = 0.00784126849 Average electrode charge 2 = -0.00784126849 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397959 -0.568954 -0.568164 ________________________________________________________________________ Electrode charge exchange: 0.0635246277 Move Jump Cl: 0.93412 0.36894 Na: 0.93454 0.36943 ________________________________________________________________________ Create NaCl : 670555. / 1828185. = 0.36679 Destroy NaCl : 670552. / 1829784. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.17026469 Potential at right wall /kT = -1.17070664 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2523243 Potential at right wall /mV = -30.2637491 ________________________________________________________________________ Capacitance of left DL = 0.0530848023 Capacitance of right DL = 0.0530647624 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65276557 Capacitance of right DL [F/m2] = 1.65214164 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41133737 Adsorption of ion 1 on right wall = -5.00675307 Adsorption of ion 2 on left wall = -5.4871047 Adsorption of ion 2 on right wall = 6.71586743 ------------------------------------------------------------------------ net charge in left DL = -11.8984421 13.3853184 net charge in right DL = 11.7226205 -13.3853184 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478982805 Relative adsorption of ion 1 on right wall = -0.374048111 Relative adsorption of ion 2 on left wall = -0.409934566 Relative adsorption of ion 2 on right wall = 0.501733856 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 615------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0070791738 Right electrode charge = -0.0070791738 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99936 Bulk concentration of Na = 0.99999 ________________________________________________________________________ Average electrode charge 1 = 0.00784513371 Average electrode charge 2 = -0.00784513371 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398093 -0.568954 -0.568297 ________________________________________________________________________ Electrode charge exchange: 0.0635392025 Move Jump Cl: 0.93414 0.36890 Na: 0.93453 0.36939 ________________________________________________________________________ Create NaCl : 676110. / 1843219. = 0.36681 Destroy NaCl : 676123. / 1844835. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.16982178 Potential at right wall /kT = -1.16861433 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2408746 Potential at right wall /mV = -30.2096612 ________________________________________________________________________ Capacitance of left DL = 0.0421360214 Capacitance of right DL = 0.0421795574 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65339133 Capacitance of right DL [F/m2] = 1.65509966 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.40472078 Adsorption of ion 1 on right wall = -5.0102864 Adsorption of ion 2 on left wall = -5.50234632 Adsorption of ion 2 on right wall = 6.71285924 ------------------------------------------------------------------------ net charge in left DL = -11.9070671 10.6205652 net charge in right DL = 11.7231456 -10.6205652 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.603048958 Relative adsorption of ion 1 on right wall = -0.471753273 Relative adsorption of ion 2 on left wall = -0.518084133 Relative adsorption of ion 2 on right wall = 0.632062335 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 620------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0111654087 Right electrode charge = -0.0111654087 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99932 Bulk concentration of Na = 0.99991 ________________________________________________________________________ Average electrode charge 1 = 0.00785217686 Average electrode charge 2 = -0.00785217686 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397987 -0.568954 -0.568192 ________________________________________________________________________ Electrode charge exchange: 0.0635287179 Move Jump Cl: 0.93410 0.36889 Na: 0.93451 0.36934 ________________________________________________________________________ Create NaCl : 681597. / 1858188. = 0.36681 Destroy NaCl : 681599. / 1859843. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.16396672 Potential at right wall /kT = -1.16201074 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0895166 Potential at right wall /mV = -30.0389528 ________________________________________________________________________ Capacitance of left DL = 0.0667920404 Capacitance of right DL = 0.0669044699 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66170832 Capacitance of right DL [F/m2] = 1.66450543 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43287756 Adsorption of ion 1 on right wall = -4.99675443 Adsorption of ion 2 on left wall = -5.47432643 Adsorption of ion 2 on right wall = 6.73715313 ------------------------------------------------------------------------ net charge in left DL = -11.907204 16.7509591 net charge in right DL = 11.7339076 -16.7509591 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.384030402 Relative adsorption of ion 1 on right wall = -0.298296617 Relative adsorption of ion 2 on left wall = -0.326806746 Relative adsorption of ion 2 on right wall = 0.402195068 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 625------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00815027212 Right electrode charge = -0.00815027212 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99928 Bulk concentration of Na = 0.99989 ________________________________________________________________________ Average electrode charge 1 = 0.00785563763 Average electrode charge 2 = -0.00785563763 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397917 -0.568954 -0.568122 ________________________________________________________________________ Electrode charge exchange: 0.0635369832 Move Jump Cl: 0.93410 0.36888 Na: 0.93449 0.36935 ________________________________________________________________________ Create NaCl : 687108. / 1873195. = 0.36681 Destroy NaCl : 687107. / 1874881. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.16535421 Potential at right wall /kT = -1.16354335 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1253843 Potential at right wall /mV = -30.078572 ________________________________________________________________________ Capacitance of left DL = 0.0486972922 Capacitance of right DL = 0.0487730814 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65972987 Capacitance of right DL [F/m2] = 1.66231296 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.42652494 Adsorption of ion 1 on right wall = -4.96900853 Adsorption of ion 2 on left wall = -5.49047141 Adsorption of ion 2 on right wall = 6.76718899 ------------------------------------------------------------------------ net charge in left DL = -11.9169964 12.2274857 net charge in right DL = 11.7361975 -12.2274857 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.525580245 Relative adsorption of ion 1 on right wall = -0.406380235 Relative adsorption of ion 2 on left wall = -0.449027015 Relative adsorption of ion 2 on right wall = 0.553440759 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 630------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0111915815 Right electrode charge = -0.0111915815 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99920 Bulk concentration of Na = 0.99984 ________________________________________________________________________ Average electrode charge 1 = 0.0078525132 Average electrode charge 2 = -0.0078525132 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397789 -0.568954 -0.567994 ________________________________________________________________________ Electrode charge exchange: 0.0635565173 Move Jump Cl: 0.93412 0.36887 Na: 0.93449 0.36935 ________________________________________________________________________ Create NaCl : 692702. / 1888407. = 0.36682 Destroy NaCl : 692712. / 1889891. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.16859254 Potential at right wall /kT = -1.16727415 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2090979 Potential at right wall /mV = -30.1750163 ________________________________________________________________________ Capacitance of left DL = 0.0666835947 Capacitance of right DL = 0.0667589114 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65513052 Capacitance of right DL [F/m2] = 1.65699993 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43061757 Adsorption of ion 1 on right wall = -4.95967172 Adsorption of ion 2 on left wall = -5.48837808 Adsorption of ion 2 on right wall = 6.77090883 ------------------------------------------------------------------------ net charge in left DL = -11.9189956 16.790225 net charge in right DL = 11.7305805 -16.790225 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.3829977 Relative adsorption of ion 1 on right wall = -0.295390426 Relative adsorption of ion 2 on left wall = -0.326879364 Relative adsorption of ion 2 on right wall = 0.403264925 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 635------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00360534119 Right electrode charge = -0.00360534119 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99937 Bulk concentration of Na = 1.00000 ________________________________________________________________________ Average electrode charge 1 = 0.0078545285 Average electrode charge 2 = -0.0078545285 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398120 -0.568954 -0.568324 ________________________________________________________________________ Electrode charge exchange: 0.0635580806 Move Jump Cl: 0.93410 0.36886 Na: 0.93449 0.36928 ________________________________________________________________________ Create NaCl : 698151. / 1903474. = 0.36678 Destroy NaCl : 698154. / 1904919. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.16858185 Potential at right wall /kT = -1.1685169 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2088215 Potential at right wall /mV = -30.2071426 ________________________________________________________________________ Capacitance of left DL = 0.021482157 Capacitance of right DL = 0.021483351 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65514566 Capacitance of right DL [F/m2] = 1.65523766 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4237806 Adsorption of ion 1 on right wall = -4.95776808 Adsorption of ion 2 on left wall = -5.49728877 Adsorption of ion 2 on right wall = 6.77762239 ------------------------------------------------------------------------ net charge in left DL = -11.9210694 5.40893081 net charge in right DL = 11.7353905 -5.40893081 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.18762484 Relative adsorption of ion 1 on right wall = -0.916589297 Relative adsorption of ion 2 on left wall = -1.01633557 Relative adsorption of ion 2 on right wall = 1.25304291 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 640------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0109468197 Right electrode charge = -0.0109468197 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99932 Bulk concentration of Na = 0.99997 ________________________________________________________________________ Average electrode charge 1 = 0.00785405562 Average electrode charge 2 = -0.00785405562 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398040 -0.568954 -0.568244 ________________________________________________________________________ Electrode charge exchange: 0.0635632392 Move Jump Cl: 0.93413 0.36885 Na: 0.93446 0.36930 ________________________________________________________________________ Create NaCl : 703720. / 1918495. = 0.36681 Destroy NaCl : 703721. / 1919936. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.16348964 Potential at right wall /kT = -1.16410924 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0771837 Potential at right wall /mV = -30.0932007 ________________________________________________________________________ Capacitance of left DL = 0.0655112818 Capacitance of right DL = 0.0654764136 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66238969 Capacitance of right DL [F/m2] = 1.66150489 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.42817164 Adsorption of ion 1 on right wall = -4.95150765 Adsorption of ion 2 on left wall = -5.49135791 Adsorption of ion 2 on right wall = 6.77698363 ------------------------------------------------------------------------ net charge in left DL = -11.9195296 16.42302 net charge in right DL = 11.7284913 -16.42302 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.391412277 Relative adsorption of ion 1 on right wall = -0.301497999 Relative adsorption of ion 2 on left wall = -0.334369557 Relative adsorption of ion 2 on right wall = 0.412651488 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 645------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00917490475 Right electrode charge = -0.00917490475 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99922 Bulk concentration of Na = 0.99985 ________________________________________________________________________ Average electrode charge 1 = 0.00785662205 Average electrode charge 2 = -0.00785662205 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397818 -0.568954 -0.568023 ________________________________________________________________________ Electrode charge exchange: 0.0635444549 Move Jump Cl: 0.93408 0.36885 Na: 0.93447 0.36928 ________________________________________________________________________ Create NaCl : 709218. / 1933322. = 0.36684 Destroy NaCl : 709208. / 1934974. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.16647009 Potential at right wall /kT = -1.16682846 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1542307 Potential at right wall /mV = -30.163495 ________________________________________________________________________ Capacitance of left DL = 0.0547669569 Capacitance of right DL = 0.054750136 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65814212 Capacitance of right DL [F/m2] = 1.65763284 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4607483 Adsorption of ion 1 on right wall = -4.94240958 Adsorption of ion 2 on left wall = -5.46253425 Adsorption of ion 2 on right wall = 6.79445749 ------------------------------------------------------------------------ net charge in left DL = -11.9232825 13.7646958 net charge in right DL = 11.7368671 -13.7646958 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.469370945 Relative adsorption of ion 1 on right wall = -0.359064205 Relative adsorption of ion 2 on left wall = -0.396851068 Relative adsorption of ion 2 on right wall = 0.493614793 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 650------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00843921284 Right electrode charge = -0.00843921284 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99937 Bulk concentration of Na = 1.00004 ________________________________________________________________________ Average electrode charge 1 = 0.00785554022 Average electrode charge 2 = -0.00785554022 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398159 -0.568954 -0.568364 ________________________________________________________________________ Electrode charge exchange: 0.063552899 Move Jump Cl: 0.93408 0.36889 Na: 0.93447 0.36926 ________________________________________________________________________ Create NaCl : 714753. / 1948280. = 0.36686 Destroy NaCl : 714765. / 1949914. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.16815733 Potential at right wall /kT = -1.16824596 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1978472 Potential at right wall /mV = -30.2001385 ________________________________________________________________________ Capacitance of left DL = 0.0503026953 Capacitance of right DL = 0.0502988789 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65574717 Capacitance of right DL [F/m2] = 1.65562155 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43887036 Adsorption of ion 1 on right wall = -4.95273566 Adsorption of ion 2 on left wall = -5.4879333 Adsorption of ion 2 on right wall = 6.77983273 ------------------------------------------------------------------------ net charge in left DL = -11.9268037 12.6609705 net charge in right DL = 11.7325684 -12.6609705 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.508560571 Relative adsorption of ion 1 on right wall = -0.391181362 Relative adsorption of ion 2 on left wall = -0.433452816 Relative adsorption of ion 2 on right wall = 0.535490763 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 655------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101195788 Right electrode charge = -0.0101195788 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99932 Bulk concentration of Na = 0.99997 ________________________________________________________________________ Average electrode charge 1 = 0.00786096137 Average electrode charge 2 = -0.00786096137 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398045 -0.568954 -0.568249 ________________________________________________________________________ Electrode charge exchange: 0.0635665932 Move Jump Cl: 0.93410 0.36895 Na: 0.93448 0.36930 ________________________________________________________________________ Create NaCl : 720273. / 1963262. = 0.36688 Destroy NaCl : 720295. / 1965024. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.1661293 Potential at right wall /kT = -1.16842657 ------------------------------------------------------------------------ Potential at left wall /mV = 30.145421 Potential at right wall /mV = -30.2048073 ________________________________________________________________________ Capacitance of left DL = 0.0604235701 Capacitance of right DL = 0.06030477 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65862669 Capacitance of right DL [F/m2] = 1.65536563 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44045292 Adsorption of ion 1 on right wall = -4.96342291 Adsorption of ion 2 on left wall = -5.49158169 Adsorption of ion 2 on right wall = 6.77782289 ------------------------------------------------------------------------ net charge in left DL = -11.9320346 15.1819477 net charge in right DL = 11.7412458 -15.1819477 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.42421783 Relative adsorption of ion 1 on right wall = -0.326929258 Relative adsorption of ion 2 on left wall = -0.361717863 Relative adsorption of ion 2 on right wall = 0.446439615 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 660------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0115587772 Right electrode charge = -0.0115587772 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99933 Bulk concentration of Na = 0.99997 ________________________________________________________________________ Average electrode charge 1 = 0.0078646036 Average electrode charge 2 = -0.0078646036 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398057 -0.568954 -0.568261 ________________________________________________________________________ Electrode charge exchange: 0.0635749188 Move Jump Cl: 0.93413 0.36895 Na: 0.93447 0.36926 ________________________________________________________________________ Create NaCl : 725755. / 1978288. = 0.36686 Destroy NaCl : 725751. / 1980003. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.1639997 Potential at right wall /kT = -1.16571233 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0903692 Potential at right wall /mV = -30.134642 ________________________________________________________________________ Capacitance of left DL = 0.0691432316 Capacitance of right DL = 0.0690416487 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66166123 Capacitance of right DL [F/m2] = 1.65921998 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43359668 Adsorption of ion 1 on right wall = -4.95905521 Adsorption of ion 2 on left wall = -5.49999185 Adsorption of ion 2 on right wall = 6.7876012 ------------------------------------------------------------------------ net charge in left DL = -11.9335885 17.3411121 net charge in right DL = 11.7466564 -17.3411121 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.371002542 Relative adsorption of ion 1 on right wall = -0.285971002 Relative adsorption of ion 2 on left wall = -0.317164886 Relative adsorption of ion 2 on right wall = 0.391416718 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 665------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0106092023 Right electrode charge = -0.0106092023 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99926 Bulk concentration of Na = 0.99986 ________________________________________________________________________ Average electrode charge 1 = 0.00786675024 Average electrode charge 2 = -0.00786675024 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397873 -0.568954 -0.568078 ________________________________________________________________________ Electrode charge exchange: 0.0635734047 Move Jump Cl: 0.93411 0.36895 Na: 0.93445 0.36923 ________________________________________________________________________ Create NaCl : 731280. / 1993354. = 0.36686 Destroy NaCl : 731277. / 1995104. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.16950829 Potential at right wall /kT = -1.1712187 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2327707 Potential at right wall /mV = -30.2769862 ________________________________________________________________________ Capacitance of left DL = 0.0631640662 Capacitance of right DL = 0.0630718237 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65383452 Capacitance of right DL [F/m2] = 1.65141932 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44446335 Adsorption of ion 1 on right wall = -4.93534542 Adsorption of ion 2 on left wall = -5.49144578 Adsorption of ion 2 on right wall = 6.82312038 ------------------------------------------------------------------------ net charge in left DL = -11.9359091 15.9165078 net charge in right DL = 11.7584658 -15.9165078 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.404891791 Relative adsorption of ion 1 on right wall = -0.310077152 Relative adsorption of ion 2 on left wall = -0.345015743 Relative adsorption of ion 2 on right wall = 0.428681998 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 670------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00693962335 Right electrode charge = -0.00693962335 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99925 Bulk concentration of Na = 0.99988 ________________________________________________________________________ Average electrode charge 1 = 0.00786359781 Average electrode charge 2 = -0.00786359781 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397874 -0.568954 -0.568079 ________________________________________________________________________ Electrode charge exchange: 0.0635618301 Move Jump Cl: 0.93410 0.36897 Na: 0.93442 0.36914 ________________________________________________________________________ Create NaCl : 736839. / 2008332. = 0.36689 Destroy NaCl : 736852. / 2010091. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.16821345 Potential at right wall /kT = -1.1704108 ------------------------------------------------------------------------ Potential at left wall /mV = 30.199298 Potential at right wall /mV = -30.2561015 ________________________________________________________________________ Capacitance of left DL = 0.0413622686 Capacitance of right DL = 0.0412846142 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65566763 Capacitance of right DL [F/m2] = 1.65255924 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46018794 Adsorption of ion 1 on right wall = -4.9429424 Adsorption of ion 2 on left wall = -5.47347731 Adsorption of ion 2 on right wall = 6.80741001 ------------------------------------------------------------------------ net charge in left DL = -11.9336653 10.411204 net charge in right DL = 11.7503524 -10.411204 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.620503447 Relative adsorption of ion 1 on right wall = -0.47477145 Relative adsorption of ion 2 on left wall = -0.525729524 Relative adsorption of ion 2 on right wall = 0.653854254 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 675------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00877105308 Right electrode charge = -0.00877105308 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99931 Bulk concentration of Na = 0.99993 ________________________________________________________________________ Average electrode charge 1 = 0.00786339936 Average electrode charge 2 = -0.00786339936 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397986 -0.568954 -0.568191 ________________________________________________________________________ Electrode charge exchange: 0.0635588819 Move Jump Cl: 0.93411 0.36896 Na: 0.93443 0.36914 ________________________________________________________________________ Create NaCl : 742351. / 2023247. = 0.36691 Destroy NaCl : 742377. / 2025090. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16575784 Potential at right wall /kT = -1.16815539 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1358185 Potential at right wall /mV = -30.1977972 ________________________________________________________________________ Capacitance of left DL = 0.0523882687 Capacitance of right DL = 0.0522807458 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6591552 Capacitance of right DL [F/m2] = 1.65574991 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44869338 Adsorption of ion 1 on right wall = -4.97533328 Adsorption of ion 2 on left wall = -5.48162102 Adsorption of ion 2 on right wall = 6.77457379 ------------------------------------------------------------------------ net charge in left DL = -11.9303144 13.1588154 net charge in right DL = 11.7499071 -13.1588154 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490066407 Relative adsorption of ion 1 on right wall = -0.378098874 Relative adsorption of ion 2 on left wall = -0.41657405 Relative adsorption of ion 2 on right wall = 0.514831585 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 680------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00767329881 Right electrode charge = -0.00767329881 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99932 Bulk concentration of Na = 0.99994 ________________________________________________________________________ Average electrode charge 1 = 0.00786831611 Average electrode charge 2 = -0.00786831611 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398016 -0.568954 -0.568220 ________________________________________________________________________ Electrode charge exchange: 0.0635515554 Move Jump Cl: 0.93410 0.36896 Na: 0.93443 0.36916 ________________________________________________________________________ Create NaCl : 747804. / 2038042. = 0.36692 Destroy NaCl : 747825. / 2040304. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.17322507 Potential at right wall /kT = -1.17614817 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3288526 Potential at right wall /mV = -30.4044172 ________________________________________________________________________ Capacitance of left DL = 0.0455398325 Capacitance of right DL = 0.0454266517 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64859517 Capacitance of right DL [F/m2] = 1.64449789 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44234023 Adsorption of ion 1 on right wall = -4.98682558 Adsorption of ion 2 on left wall = -5.50073626 Adsorption of ion 2 on right wall = 6.77562979 ------------------------------------------------------------------------ net charge in left DL = -11.9430765 11.5119042 net charge in right DL = 11.7624554 -11.5119042 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.559624206 Relative adsorption of ion 1 on right wall = -0.433188593 Relative adsorption of ion 2 on left wall = -0.477830268 Relative adsorption of ion 2 on right wall = 0.588575937 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 685------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00796461106 Right electrode charge = -0.00796461106 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99935 Bulk concentration of Na = 0.99998 ________________________________________________________________________ Average electrode charge 1 = 0.00787161458 Average electrode charge 2 = -0.00787161458 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398084 -0.568954 -0.568288 ________________________________________________________________________ Electrode charge exchange: 0.06355075 Move Jump Cl: 0.93410 0.36899 Na: 0.93446 0.36915 ________________________________________________________________________ Create NaCl : 753344. / 2053047. = 0.36694 Destroy NaCl : 753331. / 2055427. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.17311137 Potential at right wall /kT = -1.17519902 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3259134 Potential at right wall /mV = -30.3798809 ________________________________________________________________________ Capacitance of left DL = 0.0472733066 Capacitance of right DL = 0.0471893293 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64875496 Capacitance of right DL [F/m2] = 1.64582607 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.42758486 Adsorption of ion 1 on right wall = -4.98835626 Adsorption of ion 2 on left wall = -5.52187041 Adsorption of ion 2 on right wall = 6.7759386 ------------------------------------------------------------------------ net charge in left DL = -11.9494553 11.9489468 net charge in right DL = 11.7642949 -11.9489468 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.537920619 Relative adsorption of ion 1 on right wall = -0.417472464 Relative adsorption of ion 2 on left wall = -0.462121934 Relative adsorption of ion 2 on right wall = 0.567074129 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 690------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0098237042 Right electrode charge = -0.0098237042 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99941 Bulk concentration of Na = 1.00005 ________________________________________________________________________ Average electrode charge 1 = 0.00786993641 Average electrode charge 2 = -0.00786993641 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398206 -0.568954 -0.568411 ________________________________________________________________________ Electrode charge exchange: 0.0635476324 Move Jump Cl: 0.93409 0.36899 Na: 0.93444 0.36906 ________________________________________________________________________ Create NaCl : 758786. / 2068237. = 0.36688 Destroy NaCl : 758783. / 2070287. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.17570023 Potential at right wall /kT = -1.17700059 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3928375 Potential at right wall /mV = -30.4264529 ________________________________________________________________________ Capacitance of left DL = 0.058179412 Capacitance of right DL = 0.0581151349 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64512445 Capacitance of right DL [F/m2] = 1.6433069 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44714939 Adsorption of ion 1 on right wall = -4.98448563 Adsorption of ion 2 on left wall = -5.50165778 Adsorption of ion 2 on right wall = 6.77888232 ------------------------------------------------------------------------ net charge in left DL = -11.9488072 14.7380604 net charge in right DL = 11.7633679 -14.7380604 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.437448973 Relative adsorption of ion 1 on right wall = -0.338204994 Relative adsorption of ion 2 on left wall = -0.373295917 Relative adsorption of ion 2 on right wall = 0.459957561 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 695------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101494554 Right electrode charge = -0.0101494554 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99930 Bulk concentration of Na = 0.99990 ________________________________________________________________________ Average electrode charge 1 = 0.00787523099 Average electrode charge 2 = -0.00787523099 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397949 -0.568954 -0.568153 ________________________________________________________________________ Electrode charge exchange: 0.0635700076 Move Jump Cl: 0.93409 0.36901 Na: 0.93441 0.36905 ________________________________________________________________________ Create NaCl : 764252. / 2083130. = 0.36688 Destroy NaCl : 764243. / 2085429. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.17457552 Potential at right wall /kT = -1.17523081 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3637628 Potential at right wall /mV = -30.3807026 ________________________________________________________________________ Capacitance of left DL = 0.0601661811 Capacitance of right DL = 0.0601326333 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64669973 Capacitance of right DL [F/m2] = 1.64578156 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4773838 Adsorption of ion 1 on right wall = -4.98431093 Adsorption of ion 2 on left wall = -5.47401703 Adsorption of ion 2 on right wall = 6.78938225 ------------------------------------------------------------------------ net charge in left DL = -11.9514008 15.2267702 net charge in right DL = 11.7736932 -15.2267702 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.425394468 Relative adsorption of ion 1 on right wall = -0.327338685 Relative adsorption of ion 2 on left wall = -0.359499551 Relative adsorption of ion 2 on right wall = 0.445884595 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 700------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00659421447 Right electrode charge = -0.00659421447 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99924 Bulk concentration of Na = 0.99984 ________________________________________________________________________ Average electrode charge 1 = 0.00787068819 Average electrode charge 2 = -0.00787068819 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397830 -0.568954 -0.568034 ________________________________________________________________________ Electrode charge exchange: 0.0635739547 Move Jump Cl: 0.93409 0.36903 Na: 0.93441 0.36901 ________________________________________________________________________ Create NaCl : 769735. / 2097949. = 0.36690 Destroy NaCl : 769743. / 2100486. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.17397371 Potential at right wall /kT = -1.1758323 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3482056 Potential at right wall /mV = -30.3962518 ________________________________________________________________________ Capacitance of left DL = 0.0391106784 Capacitance of right DL = 0.0390488577 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64754387 Capacitance of right DL [F/m2] = 1.64493966 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46498691 Adsorption of ion 1 on right wall = -4.9647194 Adsorption of ion 2 on left wall = -5.47945914 Adsorption of ion 2 on right wall = 6.80296598 ------------------------------------------------------------------------ net charge in left DL = -11.9444461 9.8930026 net charge in right DL = 11.7676854 -9.8930026 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.653490874 Relative adsorption of ion 1 on right wall = -0.501841513 Relative adsorption of ion 2 on left wall = -0.553872203 Relative adsorption of ion 2 on right wall = 0.68765432 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 705------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0111312481 Right electrode charge = -0.0111312481 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99946 Bulk concentration of Na = 1.00005 ________________________________________________________________________ Average electrode charge 1 = 0.00787360277 Average electrode charge 2 = -0.00787360277 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398253 -0.568954 -0.568457 ________________________________________________________________________ Electrode charge exchange: 0.0635645267 Move Jump Cl: 0.93409 0.36900 Na: 0.93442 0.36905 ________________________________________________________________________ Create NaCl : 775200. / 2112943. = 0.36688 Destroy NaCl : 775220. / 2115480. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.17753752 Potential at right wall /kT = -1.17879283 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4403332 Potential at right wall /mV = -30.472784 ________________________________________________________________________ Capacitance of left DL = 0.0658202854 Capacitance of right DL = 0.0657501926 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64255758 Capacitance of right DL [F/m2] = 1.6408084 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44262553 Adsorption of ion 1 on right wall = -4.99282683 Adsorption of ion 2 on left wall = -5.50648814 Adsorption of ion 2 on right wall = 6.78291741 ------------------------------------------------------------------------ net charge in left DL = -11.9491137 16.6997096 net charge in right DL = 11.7757442 -16.6997096 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.385792669 Relative adsorption of ion 1 on right wall = -0.298976865 Relative adsorption of ion 2 on left wall = -0.329735563 Relative adsorption of ion 2 on right wall = 0.406169782 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 710------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00536646072 Right electrode charge = -0.00536646072 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99947 Bulk concentration of Na = 1.00008 ________________________________________________________________________ Average electrode charge 1 = 0.0078766726 Average electrode charge 2 = -0.0078766726 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398304 -0.568954 -0.568508 ________________________________________________________________________ Electrode charge exchange: 0.0635601469 Move Jump Cl: 0.93409 0.36902 Na: 0.93439 0.36903 ________________________________________________________________________ Create NaCl : 780716. / 2127881. = 0.36690 Destroy NaCl : 780738. / 2130349. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.16914961 Potential at right wall /kT = -1.17109235 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2234984 Potential at right wall /mV = -30.27372 ________________________________________________________________________ Capacitance of left DL = 0.0319601288 Capacitance of right DL = 0.0319071096 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65434191 Capacitance of right DL [F/m2] = 1.65159749 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4529631 Adsorption of ion 1 on right wall = -4.99062129 Adsorption of ion 2 on left wall = -5.49709063 Adsorption of ion 2 on right wall = 6.78138343 ------------------------------------------------------------------------ net charge in left DL = -11.9500537 8.05105902 net charge in right DL = 11.7720047 -8.05105902 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.801504881 Relative adsorption of ion 1 on right wall = -0.619871408 Relative adsorption of ion 2 on left wall = -0.682778579 Relative adsorption of ion 2 on right wall = 0.842297071 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 715------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00626111059 Right electrode charge = -0.00626111059 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99948 Bulk concentration of Na = 1.00009 ________________________________________________________________________ Average electrode charge 1 = 0.00787963388 Average electrode charge 2 = -0.00787963388 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398318 -0.568954 -0.568523 ________________________________________________________________________ Electrode charge exchange: 0.0635778166 Move Jump Cl: 0.93411 0.36905 Na: 0.93441 0.36901 ________________________________________________________________________ Create NaCl : 786200. / 2142897. = 0.36689 Destroy NaCl : 786199. / 2145216. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.17134303 Potential at right wall /kT = -1.17304804 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2802002 Potential at right wall /mV = -30.3242761 ________________________________________________________________________ Capacitance of left DL = 0.0372184199 Capacitance of right DL = 0.0371643234 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65124404 Capacitance of right DL [F/m2] = 1.64884397 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45984963 Adsorption of ion 1 on right wall = -4.97525142 Adsorption of ion 2 on left wall = -5.49523727 Adsorption of ion 2 on right wall = 6.80323021 ------------------------------------------------------------------------ net charge in left DL = -11.9550869 9.39326188 net charge in right DL = 11.7784816 -9.39326188 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.687711012 Relative adsorption of ion 1 on right wall = -0.529661739 Relative adsorption of ion 2 on left wall = -0.585019064 Relative adsorption of ion 2 on right wall = 0.724267065 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 720------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00754171028 Right electrode charge = -0.00754171028 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 1.00008 ________________________________________________________________________ Average electrode charge 1 = 0.00787607237 Average electrode charge 2 = -0.00787607237 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398323 -0.568954 -0.568527 ________________________________________________________________________ Electrode charge exchange: 0.0635801796 Move Jump Cl: 0.93415 0.36905 Na: 0.93440 0.36902 ________________________________________________________________________ Create NaCl : 791699. / 2157832. = 0.36690 Destroy NaCl : 791720. / 2160145. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.17144974 Potential at right wall /kT = -1.17331525 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2829588 Potential at right wall /mV = -30.3311838 ________________________________________________________________________ Capacitance of left DL = 0.0448267071 Capacitance of right DL = 0.044755435 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65109362 Capacitance of right DL [F/m2] = 1.64846847 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45102441 Adsorption of ion 1 on right wall = -4.97024619 Adsorption of ion 2 on left wall = -5.49803574 Adsorption of ion 2 on right wall = 6.80432722 ------------------------------------------------------------------------ net charge in left DL = -11.9490602 11.3144878 net charge in right DL = 11.7745734 -11.3144878 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.570156114 Relative adsorption of ion 1 on right wall = -0.439281589 Relative adsorption of ion 2 on left wall = -0.485928822 Relative adsorption of ion 2 on right wall = 0.601381814 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 725------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0082121431 Right electrode charge = -0.0082121431 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 1.00007 ________________________________________________________________________ Average electrode charge 1 = 0.00787380103 Average electrode charge 2 = -0.00787380103 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398309 -0.568954 -0.568514 ________________________________________________________________________ Electrode charge exchange: 0.0635660735 Move Jump Cl: 0.93412 0.36905 Na: 0.93433 0.36905 ________________________________________________________________________ Create NaCl : 797156. / 2172664. = 0.36690 Destroy NaCl : 797157. / 2175261. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.17249906 Potential at right wall /kT = -1.17505769 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3100848 Potential at right wall /mV = -30.3762274 ________________________________________________________________________ Capacitance of left DL = 0.0487679675 Capacitance of right DL = 0.0486617779 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64961597 Capacitance of right DL [F/m2] = 1.64602402 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44772482 Adsorption of ion 1 on right wall = -4.98151127 Adsorption of ion 2 on left wall = -5.49670578 Adsorption of ion 2 on right wall = 6.79292571 ------------------------------------------------------------------------ net charge in left DL = -11.9444306 12.320308 net charge in right DL = 11.774437 -12.320308 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.523341206 Relative adsorption of ion 1 on right wall = -0.40433334 Relative adsorption of ion 2 on left wall = -0.446150031 Relative adsorption of ion 2 on right wall = 0.551360058 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 730------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00550209598 Right electrode charge = -0.00550209598 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 1.00021 ________________________________________________________________________ Average electrode charge 1 = 0.00787227729 Average electrode charge 2 = -0.00787227729 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398610 -0.568954 -0.568815 ________________________________________________________________________ Electrode charge exchange: 0.0635768777 Move Jump Cl: 0.93410 0.36901 Na: 0.93433 0.36902 ________________________________________________________________________ Create NaCl : 802575. / 2187729. = 0.36685 Destroy NaCl : 802580. / 2190261. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.1701494 Potential at right wall /kT = -1.17309454 ------------------------------------------------------------------------ Potential at left wall /mV = 30.249344 Potential at right wall /mV = -30.3254784 ________________________________________________________________________ Capacitance of left DL = 0.0327399114 Capacitance of right DL = 0.0326577154 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65292841 Capacitance of right DL [F/m2] = 1.64877861 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43443401 Adsorption of ion 1 on right wall = -4.9890177 Adsorption of ion 2 on left wall = -5.50255411 Adsorption of ion 2 on right wall = 6.78521496 ------------------------------------------------------------------------ net charge in left DL = -11.9369881 8.25454647 net charge in right DL = 11.7742327 -8.25454647 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.779501822 Relative adsorption of ion 1 on right wall = -0.604396343 Relative adsorption of ion 2 on left wall = -0.666608896 Relative adsorption of ion 2 on right wall = 0.821997305 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 735------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00908454484 Right electrode charge = -0.00908454484 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99941 Bulk concentration of Na = 0.99997 ________________________________________________________________________ Average electrode charge 1 = 0.00787217608 Average electrode charge 2 = -0.00787217608 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.398128 -0.568954 -0.568332 ________________________________________________________________________ Electrode charge exchange: 0.0635694845 Move Jump Cl: 0.93410 0.36904 Na: 0.93436 0.36906 ________________________________________________________________________ Create NaCl : 808124. / 2202682. = 0.36688 Destroy NaCl : 808146. / 2205254. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.17604414 Potential at right wall /kT = -1.17933931 ------------------------------------------------------------------------ Potential at left wall /mV = 30.401728 Potential at right wall /mV = -30.4869109 ________________________________________________________________________ Capacitance of left DL = 0.0537861182 Capacitance of right DL = 0.0536358355 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64464335 Capacitance of right DL [F/m2] = 1.64004809 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45338942 Adsorption of ion 1 on right wall = -4.98362917 Adsorption of ion 2 on left wall = -5.48824187 Adsorption of ion 2 on right wall = 6.7941443 ------------------------------------------------------------------------ net charge in left DL = -11.9416313 13.629133 net charge in right DL = 11.7777735 -13.629133 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.473499631 Relative adsorption of ion 1 on right wall = -0.36566003 Relative adsorption of ion 2 on left wall = -0.402684594 Relative adsorption of ion 2 on right wall = 0.498501579 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 740------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00413429272 Right electrode charge = -0.00413429272 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 273 -1.00 3.0000 1.5000 Na ion: 273 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99931 Bulk concentration of Na = 0.99990 ________________________________________________________________________ Average electrode charge 1 = 0.00787338184 Average electrode charge 2 = -0.00787338184 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397960 -0.568954 -0.568164 ________________________________________________________________________ Electrode charge exchange: 0.0635817677 Move Jump Cl: 0.93409 0.36907 Na: 0.93438 0.36904 ________________________________________________________________________ Create NaCl : 813559. / 2217657. = 0.36686 Destroy NaCl : 813586. / 2220159. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.17845644 Potential at right wall /kT = -1.18243329 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4640879 Potential at right wall /mV = -30.5668928 ________________________________________________________________________ Capacitance of left DL = 0.0244274618 Capacitance of right DL = 0.0243453054 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64127678 Capacitance of right DL [F/m2] = 1.63575671 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44858781 Adsorption of ion 1 on right wall = -4.97472413 Adsorption of ion 2 on left wall = -5.50027744 Adsorption of ion 2 on right wall = 6.80366648 ------------------------------------------------------------------------ net charge in left DL = -11.9488653 6.20249293 net charge in right DL = 11.7783906 -6.20249293 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.03967677 Relative adsorption of ion 1 on right wall = -0.802052365 Relative adsorption of ion 2 on left wall = -0.886784959 Relative adsorption of ion 2 on right wall = 1.0969245 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 745------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00680267395 Right electrode charge = -0.00680267395 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99917 Bulk concentration of Na = 0.99977 ________________________________________________________________________ Average electrode charge 1 = 0.00786916523 Average electrode charge 2 = -0.00786916523 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397684 -0.568954 -0.567888 ________________________________________________________________________ Electrode charge exchange: 0.0635876534 Move Jump Cl: 0.93409 0.36907 Na: 0.93435 0.36906 ________________________________________________________________________ Create NaCl : 819070. / 2232571. = 0.36687 Destroy NaCl : 819092. / 2235225. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.17914565 Potential at right wall /kT = -1.182871 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4819046 Potential at right wall /mV = -30.5782079 ________________________________________________________________________ Capacitance of left DL = 0.0401700947 Capacitance of right DL = 0.0400435826 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64031745 Capacitance of right DL [F/m2] = 1.63515142 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45339117 Adsorption of ion 1 on right wall = -4.96472147 Adsorption of ion 2 on left wall = -5.49225494 Adsorption of ion 2 on right wall = 6.8058398 ------------------------------------------------------------------------ net charge in left DL = -11.9456461 10.2057449 net charge in right DL = 11.7705613 -10.2057449 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.632329262 Relative adsorption of ion 1 on right wall = -0.486463408 Relative adsorption of ion 2 on left wall = -0.538153263 Relative adsorption of ion 2 on right wall = 0.666863598 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 750------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0088732485 Right electrode charge = -0.0088732485 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99919 Bulk concentration of Na = 0.99980 ________________________________________________________________________ Average electrode charge 1 = 0.00786772524 Average electrode charge 2 = -0.00786772524 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397737 -0.568954 -0.567942 ________________________________________________________________________ Electrode charge exchange: 0.0635849454 Move Jump Cl: 0.93407 0.36910 Na: 0.93438 0.36906 ________________________________________________________________________ Create NaCl : 824572. / 2247679. = 0.36685 Destroy NaCl : 824588. / 2250253. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.16716857 Potential at right wall /kT = -1.17064391 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1722871 Potential at right wall /mV = -30.2621276 ________________________________________________________________________ Capacitance of left DL = 0.0529346093 Capacitance of right DL = 0.05277746 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65714982 Capacitance of right DL [F/m2] = 1.65223016 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44079678 Adsorption of ion 1 on right wall = -4.95439889 Adsorption of ion 2 on left wall = -5.49530201 Adsorption of ion 2 on right wall = 6.80424122 ------------------------------------------------------------------------ net charge in left DL = -11.9360988 13.3121346 net charge in right DL = 11.7586401 -13.3121346 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.483829001 Relative adsorption of ion 1 on right wall = -0.372171635 Relative adsorption of ion 2 on left wall = -0.41280397 Relative adsorption of ion 2 on right wall = 0.511130741 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 755------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00793022829 Right electrode charge = -0.00793022829 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 266 -1.00 3.0000 1.5000 Na ion: 266 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99916 Bulk concentration of Na = 0.99978 ________________________________________________________________________ Average electrode charge 1 = 0.00786857911 Average electrode charge 2 = -0.00786857911 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397694 -0.568954 -0.567899 ________________________________________________________________________ Electrode charge exchange: 0.0635685849 Move Jump Cl: 0.93408 0.36909 Na: 0.93440 0.36900 ________________________________________________________________________ Create NaCl : 829965. / 2262559. = 0.36683 Destroy NaCl : 829999. / 2265274. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.16676529 Potential at right wall /kT = -1.1702833 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1618619 Potential at right wall /mV = -30.2528055 ________________________________________________________________________ Capacitance of left DL = 0.0473252418 Capacitance of right DL = 0.0471829763 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6577226 Capacitance of right DL [F/m2] = 1.65273928 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44784852 Adsorption of ion 1 on right wall = -4.96056362 Adsorption of ion 2 on left wall = -5.4908997 Adsorption of ion 2 on right wall = 6.79743451 ------------------------------------------------------------------------ net charge in left DL = -11.9387482 11.8973639 net charge in right DL = 11.7579981 -11.8973639 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.541956066 Relative adsorption of ion 1 on right wall = -0.416946449 Relative adsorption of ion 2 on left wall = -0.461522381 Relative adsorption of ion 2 on right wall = 0.571339549 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 760------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00738190964 Right electrode charge = -0.00738190964 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99904 Bulk concentration of Na = 0.99967 ________________________________________________________________________ Average electrode charge 1 = 0.00786690613 Average electrode charge 2 = -0.00786690613 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397459 -0.568954 -0.567663 ________________________________________________________________________ Electrode charge exchange: 0.0635692997 Move Jump Cl: 0.93405 0.36910 Na: 0.93438 0.36900 ________________________________________________________________________ Create NaCl : 835486. / 2277691. = 0.36681 Destroy NaCl : 835484. / 2280429. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.17307243 Potential at right wall /kT = -1.17739097 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3249068 Potential at right wall /mV = -30.4365446 ________________________________________________________________________ Capacitance of left DL = 0.0438161838 Capacitance of right DL = 0.0436554709 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64880969 Capacitance of right DL [F/m2] = 1.64276204 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46734897 Adsorption of ion 1 on right wall = -4.95974927 Adsorption of ion 2 on left wall = -5.47609589 Adsorption of ion 2 on right wall = 6.79847078 ------------------------------------------------------------------------ net charge in left DL = -11.9434449 11.0747461 net charge in right DL = 11.7582201 -11.0747461 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.583972661 Relative adsorption of ion 1 on right wall = -0.447843157 Relative adsorption of ion 2 on left wall = -0.494466945 Relative adsorption of ion 2 on right wall = 0.613871478 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 765------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00513469189 Right electrode charge = -0.00513469189 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99907 Bulk concentration of Na = 0.99970 ________________________________________________________________________ Average electrode charge 1 = 0.00786231419 Average electrode charge 2 = -0.00786231419 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397525 -0.568954 -0.567729 ________________________________________________________________________ Electrode charge exchange: 0.0635748431 Move Jump Cl: 0.93406 0.36910 Na: 0.93438 0.36903 ________________________________________________________________________ Create NaCl : 840888. / 2292537. = 0.36679 Destroy NaCl : 840890. / 2295285. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.16883776 Potential at right wall /kT = -1.17308128 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2154369 Potential at right wall /mV = -30.3251354 ________________________________________________________________________ Capacitance of left DL = 0.0305879808 Capacitance of right DL = 0.0304773315 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65478329 Capacitance of right DL [F/m2] = 1.64879725 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4739696 Adsorption of ion 1 on right wall = -4.95980001 Adsorption of ion 2 on left wall = -5.45925108 Adsorption of ion 2 on right wall = 6.78937692 ------------------------------------------------------------------------ net charge in left DL = -11.9332207 7.7033467 net charge in right DL = 11.7491769 -7.7033467 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.840410001 Relative adsorption of ion 1 on right wall = -0.643850031 Relative adsorption of ion 2 on left wall = -0.708685626 Relative adsorption of ion 2 on right wall = 0.881354194 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 770------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0071437641 Right electrode charge = -0.0071437641 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99896 Bulk concentration of Na = 0.99959 ________________________________________________________________________ Average electrode charge 1 = 0.00786363703 Average electrode charge 2 = -0.00786363703 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397300 -0.568954 -0.567505 ________________________________________________________________________ Electrode charge exchange: 0.0635714263 Move Jump Cl: 0.93403 0.36905 Na: 0.93438 0.36904 ________________________________________________________________________ Create NaCl : 846418. / 2307539. = 0.36681 Destroy NaCl : 846437. / 2310321. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.16768389 Potential at right wall /kT = -1.17191301 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1856085 Potential at right wall /mV = -30.2949347 ________________________________________________________________________ Capacitance of left DL = 0.0425983198 Capacitance of right DL = 0.0424445939 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65641849 Capacitance of right DL [F/m2] = 1.65044092 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47119461 Adsorption of ion 1 on right wall = -4.93842985 Adsorption of ion 2 on left wall = -5.46420913 Adsorption of ion 2 on right wall = 6.81062182 ------------------------------------------------------------------------ net charge in left DL = -11.9354037 10.7174671 net charge in right DL = 11.7490517 -10.7174671 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.603798876 Relative adsorption of ion 1 on right wall = -0.460783298 Relative adsorption of ion 2 on left wall = -0.509841464 Relative adsorption of ion 2 on right wall = 0.635469345 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 775------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00860184433 Right electrode charge = -0.00860184433 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99883 Bulk concentration of Na = 0.99945 ________________________________________________________________________ Average electrode charge 1 = 0.00786157197 Average electrode charge 2 = -0.00786157197 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397028 -0.568954 -0.567233 ________________________________________________________________________ Electrode charge exchange: 0.0635800286 Move Jump Cl: 0.93406 0.36912 Na: 0.93440 0.36909 ________________________________________________________________________ Create NaCl : 852036. / 2322453. = 0.36687 Destroy NaCl : 852050. / 2325447. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.16729576 Potential at right wall /kT = -1.17088002 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1755749 Potential at right wall /mV = -30.2682312 ________________________________________________________________________ Capacitance of left DL = 0.0513099185 Capacitance of right DL = 0.05115285 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65696926 Capacitance of right DL [F/m2] = 1.65189699 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47739457 Adsorption of ion 1 on right wall = -4.943145 Adsorption of ion 2 on left wall = -5.45275192 Adsorption of ion 2 on right wall = 6.80405131 ------------------------------------------------------------------------ net charge in left DL = -11.9301465 12.9049592 net charge in right DL = 11.7471963 -12.9049592 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.501930653 Relative adsorption of ion 1 on right wall = -0.383042282 Relative adsorption of ion 2 on left wall = -0.422531513 Relative adsorption of ion 2 on right wall = 0.527243149 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 780------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00743109118 Right electrode charge = -0.00743109118 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99878 Bulk concentration of Na = 0.99938 ________________________________________________________________________ Average electrode charge 1 = 0.00786698558 Average electrode charge 2 = -0.00786698558 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396913 -0.568954 -0.567117 ________________________________________________________________________ Electrode charge exchange: 0.0635773534 Move Jump Cl: 0.93407 0.36910 Na: 0.93444 0.36908 ________________________________________________________________________ Create NaCl : 857567. / 2337622. = 0.36685 Destroy NaCl : 857574. / 2340325. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.16900435 Potential at right wall /kT = -1.17306742 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2197434 Potential at right wall /mV = -30.3247773 ________________________________________________________________________ Capacitance of left DL = 0.0442616008 Capacitance of right DL = 0.0441082949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65454747 Capacitance of right DL [F/m2] = 1.64881673 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48804455 Adsorption of ion 1 on right wall = -4.94291506 Adsorption of ion 2 on left wall = -5.44815806 Adsorption of ion 2 on right wall = 6.81618339 ------------------------------------------------------------------------ net charge in left DL = -11.9362026 11.148531 net charge in right DL = 11.7590985 -11.148531 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581964077 Relative adsorption of ion 1 on right wall = -0.443369182 Relative adsorption of ion 2 on left wall = -0.488688426 Relative adsorption of ion 2 on right wall = 0.611397447 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 785------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0104176438 Right electrode charge = -0.0104176438 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99887 Bulk concentration of Na = 0.99943 ________________________________________________________________________ Average electrode charge 1 = 0.00786995727 Average electrode charge 2 = -0.00786995727 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397044 -0.568954 -0.567249 ________________________________________________________________________ Electrode charge exchange: 0.0635726816 Move Jump Cl: 0.93405 0.36912 Na: 0.93445 0.36910 ________________________________________________________________________ Create NaCl : 863002. / 2352690. = 0.36682 Destroy NaCl : 862998. / 2355320. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.17251617 Potential at right wall /kT = -1.1770243 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3105269 Potential at right wall /mV = -30.4270658 ________________________________________________________________________ Capacitance of left DL = 0.0618644727 Capacitance of right DL = 0.0616275252 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64959191 Capacitance of right DL [F/m2] = 1.6432738 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48028313 Adsorption of ion 1 on right wall = -4.94828365 Adsorption of ion 2 on left wall = -5.45542169 Adsorption of ion 2 on right wall = 6.824954 ------------------------------------------------------------------------ net charge in left DL = -11.9357048 15.6291212 net charge in right DL = 11.7732376 -15.6291212 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.414628759 Relative adsorption of ion 1 on right wall = -0.316606647 Relative adsorption of ion 2 on left wall = -0.349054923 Relative adsorption of ion 2 on right wall = 0.436681878 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 790------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00810280352 Right electrode charge = -0.00810280352 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99897 Bulk concentration of Na = 0.99949 ________________________________________________________________________ Average electrode charge 1 = 0.00787345736 Average electrode charge 2 = -0.00787345736 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397211 -0.568954 -0.567416 ________________________________________________________________________ Electrode charge exchange: 0.0635748874 Move Jump Cl: 0.93405 0.36913 Na: 0.93448 0.36908 ________________________________________________________________________ Create NaCl : 868358. / 2367831. = 0.36673 Destroy NaCl : 868368. / 2370093. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.17477004 Potential at right wall /kT = -1.180406 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3687915 Potential at right wall /mV = -30.5144858 ________________________________________________________________________ Capacitance of left DL = 0.048025633 Capacitance of right DL = 0.04779633 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64642706 Capacitance of right DL [F/m2] = 1.63856604 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48528768 Adsorption of ion 1 on right wall = -4.95531348 Adsorption of ion 2 on left wall = -5.45147547 Adsorption of ion 2 on right wall = 6.8310875 ------------------------------------------------------------------------ net charge in left DL = -11.9367632 12.1562707 net charge in right DL = 11.786401 -12.1562707 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533493193 Relative adsorption of ion 1 on right wall = -0.407634347 Relative adsorption of ion 2 on left wall = -0.44844966 Relative adsorption of ion 2 on right wall = 0.561939402 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 795------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00887418056 Right electrode charge = -0.00887418056 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99904 Bulk concentration of Na = 0.99954 ________________________________________________________________________ Average electrode charge 1 = 0.00787345644 Average electrode charge 2 = -0.00787345644 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397335 -0.568954 -0.567540 ________________________________________________________________________ Electrode charge exchange: 0.0635773297 Move Jump Cl: 0.93402 0.36909 Na: 0.93443 0.36909 ________________________________________________________________________ Create NaCl : 873834. / 2382899. = 0.36671 Destroy NaCl : 873838. / 2385061. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.17705025 Potential at right wall /kT = -1.18261195 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4277369 Potential at right wall /mV = -30.5715113 ________________________________________________________________________ Capacitance of left DL = 0.0524957214 Capacitance of right DL = 0.0522488398 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64323756 Capacitance of right DL [F/m2] = 1.63550959 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48377474 Adsorption of ion 1 on right wall = -4.95518438 Adsorption of ion 2 on left wall = -5.45261577 Adsorption of ion 2 on right wall = 6.83492993 ------------------------------------------------------------------------ net charge in left DL = -11.9363905 13.3135329 net charge in right DL = 11.7901143 -13.3135329 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.487006326 Relative adsorption of ion 1 on right wall = -0.372191545 Relative adsorption of ion 2 on left wall = -0.409554384 Relative adsorption of ion 2 on right wall = 0.513382134 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 800------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806872826 Right electrode charge = -0.00806872826 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99901 Bulk concentration of Na = 0.99951 ________________________________________________________________________ Average electrode charge 1 = 0.00787524834 Average electrode charge 2 = -0.00787524834 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397268 -0.568954 -0.567473 ________________________________________________________________________ Electrode charge exchange: 0.0635854607 Move Jump Cl: 0.93403 0.36912 Na: 0.93446 0.36912 ________________________________________________________________________ Create NaCl : 879362. / 2397726. = 0.36675 Destroy NaCl : 879363. / 2400056. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.175147 Potential at right wall /kT = -1.1799488 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3785362 Potential at right wall /mV = -30.5026667 ________________________________________________________________________ Capacitance of left DL = 0.0478083268 Capacitance of right DL = 0.0476137711 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64589892 Capacitance of right DL [F/m2] = 1.63920094 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48349893 Adsorption of ion 1 on right wall = -4.97253617 Adsorption of ion 2 on left wall = -5.45391654 Adsorption of ion 2 on right wall = 6.81836544 ------------------------------------------------------------------------ net charge in left DL = -11.9374155 12.1051491 net charge in right DL = 11.7909016 -12.1051491 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.535598434 Relative adsorption of ion 1 on right wall = -0.410778596 Relative adsorption of ion 2 on left wall = -0.450545175 Relative adsorption of ion 2 on right wall = 0.563261581 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 805------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00827276742 Right electrode charge = -0.00827276742 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99901 Bulk concentration of Na = 0.99949 ________________________________________________________________________ Average electrode charge 1 = 0.00787333152 Average electrode charge 2 = -0.00787333152 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397248 -0.568954 -0.567453 ________________________________________________________________________ Electrode charge exchange: 0.0635875913 Move Jump Cl: 0.93404 0.36911 Na: 0.93449 0.36913 ________________________________________________________________________ Create NaCl : 884892. / 2412781. = 0.36675 Destroy NaCl : 884904. / 2415044. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.17532898 Potential at right wall /kT = -1.18042142 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3832404 Potential at right wall /mV = -30.5148844 ________________________________________________________________________ Capacitance of left DL = 0.0490096977 Capacitance of right DL = 0.0487982654 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64564409 Capacitance of right DL [F/m2] = 1.63854463 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46436507 Adsorption of ion 1 on right wall = -4.96793473 Adsorption of ion 2 on left wall = -5.46849741 Adsorption of ion 2 on right wall = 6.82253758 ------------------------------------------------------------------------ net charge in left DL = -11.9328625 12.4112599 net charge in right DL = 11.7904723 -12.4112599 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.520846806 Relative adsorption of ion 1 on right wall = -0.400276424 Relative adsorption of ion 2 on left wall = -0.440607759 Relative adsorption of ion 2 on right wall = 0.54970548 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 810------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00828527336 Right electrode charge = -0.00828527336 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99899 Bulk concentration of Na = 0.99947 ________________________________________________________________________ Average electrode charge 1 = 0.00787380439 Average electrode charge 2 = -0.00787380439 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397208 -0.568954 -0.567412 ________________________________________________________________________ Electrode charge exchange: 0.0635848705 Move Jump Cl: 0.93404 0.36916 Na: 0.93448 0.36911 ________________________________________________________________________ Create NaCl : 890382. / 2427698. = 0.36676 Destroy NaCl : 890375. / 2429987. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.18142227 Potential at right wall /kT = -1.18550788 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5407572 Potential at right wall /mV = -30.6463735 ________________________________________________________________________ Capacitance of left DL = 0.0488306315 Capacitance of right DL = 0.0486623469 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63715653 Capacitance of right DL [F/m2] = 1.63151441 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46711275 Adsorption of ion 1 on right wall = -4.97883159 Adsorption of ion 2 on left wall = -5.46992653 Adsorption of ion 2 on right wall = 6.81646247 ------------------------------------------------------------------------ net charge in left DL = -11.9370393 12.430022 net charge in right DL = 11.7952941 -12.430022 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.520281682 Relative adsorption of ion 1 on right wall = -0.400548896 Relative adsorption of ion 2 on left wall = -0.440057671 Relative adsorption of ion 2 on right wall = 0.548387 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 815------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00621396525 Right electrode charge = -0.00621396525 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99909 Bulk concentration of Na = 0.99953 ________________________________________________________________________ Average electrode charge 1 = 0.00787445158 Average electrode charge 2 = -0.00787445158 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397370 -0.568954 -0.567574 ________________________________________________________________________ Electrode charge exchange: 0.0635957618 Move Jump Cl: 0.93402 0.36916 Na: 0.93449 0.36908 ________________________________________________________________________ Create NaCl : 895816. / 2442597. = 0.36675 Destroy NaCl : 895829. / 2444903. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.18412621 Potential at right wall /kT = -1.1877324 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6106563 Potential at right wall /mV = -30.7038792 ________________________________________________________________________ Capacitance of left DL = 0.0365394056 Capacitance of right DL = 0.0364284649 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6334181 Capacitance of right DL [F/m2] = 1.62845873 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45910352 Adsorption of ion 1 on right wall = -4.97606059 Adsorption of ion 2 on left wall = -5.47558699 Adsorption of ion 2 on right wall = 6.82750412 ------------------------------------------------------------------------ net charge in left DL = -11.9346905 9.32253184 net charge in right DL = 11.8035647 -9.32253184 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.692848642 Relative adsorption of ion 1 on right wall = -0.533767079 Relative adsorption of ion 2 on left wall = -0.587349776 Relative adsorption of ion 2 on right wall = 0.732365868 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 820------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00811773746 Right electrode charge = -0.00811773746 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99922 Bulk concentration of Na = 0.99969 ________________________________________________________________________ Average electrode charge 1 = 0.00787366882 Average electrode charge 2 = -0.00787366882 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397658 -0.568954 -0.567863 ________________________________________________________________________ Electrode charge exchange: 0.0635852889 Move Jump Cl: 0.93402 0.36920 Na: 0.93450 0.36909 ________________________________________________________________________ Create NaCl : 901366. / 2457683. = 0.36675 Destroy NaCl : 901363. / 2459797. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.18277617 Potential at right wall /kT = -1.18602071 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5757567 Potential at right wall /mV = -30.6596306 ________________________________________________________________________ Capacitance of left DL = 0.0477884657 Capacitance of right DL = 0.0476577333 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63528251 Capacitance of right DL [F/m2] = 1.63080895 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4390924 Adsorption of ion 1 on right wall = -4.98274114 Adsorption of ion 2 on left wall = -5.49692465 Adsorption of ion 2 on right wall = 6.81527291 ------------------------------------------------------------------------ net charge in left DL = -11.936017 12.1786754 net charge in right DL = 11.7980141 -12.1786754 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.528718614 Relative adsorption of ion 1 on right wall = -0.409136541 Relative adsorption of ion 2 on left wall = -0.451356527 Relative adsorption of ion 2 on right wall = 0.559607073 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 825------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00942994565 Right electrode charge = -0.00942994565 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99924 Bulk concentration of Na = 0.99970 ________________________________________________________________________ Average electrode charge 1 = 0.00787368535 Average electrode charge 2 = -0.00787368535 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397687 -0.568954 -0.567891 ________________________________________________________________________ Electrode charge exchange: 0.0635837617 Move Jump Cl: 0.93401 0.36921 Na: 0.93451 0.36910 ________________________________________________________________________ Create NaCl : 906972. / 2472691. = 0.36680 Destroy NaCl : 906988. / 2474890. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.17615591 Potential at right wall /kT = -1.17973231 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4046172 Potential at right wall /mV = -30.4970703 ________________________________________________________________________ Capacitance of left DL = 0.0558257992 Capacitance of right DL = 0.055656561 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64448708 Capacitance of right DL [F/m2] = 1.63950175 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43735598 Adsorption of ion 1 on right wall = -4.96772725 Adsorption of ion 2 on left wall = -5.49233916 Adsorption of ion 2 on right wall = 6.82766428 ------------------------------------------------------------------------ net charge in left DL = -11.9296951 14.1473222 net charge in right DL = 11.7953915 -14.1473222 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.455022928 Relative adsorption of ion 1 on right wall = -0.351142582 Relative adsorption of ion 2 on left wall = -0.388224646 Relative adsorption of ion 2 on right wall = 0.482611774 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 830------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00736965986 Right electrode charge = -0.00736965986 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99914 Bulk concentration of Na = 0.99958 ________________________________________________________________________ Average electrode charge 1 = 0.00787378345 Average electrode charge 2 = -0.00787378345 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397472 -0.568954 -0.567676 ________________________________________________________________________ Electrode charge exchange: 0.0635887531 Move Jump Cl: 0.93402 0.36923 Na: 0.93451 0.36912 ________________________________________________________________________ Create NaCl : 912492. / 2487571. = 0.36682 Destroy NaCl : 912496. / 2489965. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.1776907 Potential at right wall /kT = -1.18118583 ------------------------------------------------------------------------ Potential at left wall /mV = 30.444293 Potential at right wall /mV = -30.534645 ________________________________________________________________________ Capacitance of left DL = 0.0435719353 Capacitance of right DL = 0.0434430059 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64234394 Capacitance of right DL [F/m2] = 1.63748424 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4265388 Adsorption of ion 1 on right wall = -4.94942205 Adsorption of ion 2 on left wall = -5.50179655 Adsorption of ion 2 on right wall = 6.8493181 ------------------------------------------------------------------------ net charge in left DL = -11.9283354 11.0563683 net charge in right DL = 11.7987402 -11.0563683 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581252234 Relative adsorption of ion 1 on right wall = -0.447653505 Relative adsorption of ion 2 on left wall = -0.497613356 Relative adsorption of ion 2 on right wall = 0.619490767 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 835------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00757962484 Right electrode charge = -0.00757962484 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99919 Bulk concentration of Na = 0.99959 ________________________________________________________________________ Average electrode charge 1 = 0.00787548088 Average electrode charge 2 = -0.00787548088 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397528 -0.568954 -0.567733 ________________________________________________________________________ Electrode charge exchange: 0.0636031891 Move Jump Cl: 0.93400 0.36923 Na: 0.93450 0.36911 ________________________________________________________________________ Create NaCl : 917993. / 2502646. = 0.36681 Destroy NaCl : 918003. / 2505044. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.17656609 Potential at right wall /kT = -1.18086553 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4152208 Potential at right wall /mV = -30.526365 ________________________________________________________________________ Capacitance of left DL = 0.0448561542 Capacitance of right DL = 0.0446928363 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64391376 Capacitance of right DL [F/m2] = 1.6379284 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41292798 Adsorption of ion 1 on right wall = -4.95057002 Adsorption of ion 2 on left wall = -5.51138901 Adsorption of ion 2 on right wall = 6.85579083 ------------------------------------------------------------------------ net charge in left DL = -11.924317 11.3713693 net charge in right DL = 11.8063609 -11.3713693 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.56395389 Relative adsorption of ion 1 on right wall = -0.435353902 Relative adsorption of ion 2 on left wall = -0.484672412 Relative adsorption of ion 2 on right wall = 0.602899319 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 840------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00573123562 Right electrode charge = -0.00573123562 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99912 Bulk concentration of Na = 0.99951 ________________________________________________________________________ Average electrode charge 1 = 0.00787598899 Average electrode charge 2 = -0.00787598899 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397384 -0.568954 -0.567589 ________________________________________________________________________ Electrode charge exchange: 0.0636070289 Move Jump Cl: 0.93399 0.36923 Na: 0.93450 0.36915 ________________________________________________________________________ Create NaCl : 923497. / 2517616. = 0.36681 Destroy NaCl : 923509. / 2520069. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.18478956 Potential at right wall /kT = -1.18876944 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6278044 Potential at right wall /mV = -30.7306875 ________________________________________________________________________ Capacitance of left DL = 0.0336819865 Capacitance of right DL = 0.0335692227 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63250357 Capacitance of right DL [F/m2] = 1.62703812 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44422135 Adsorption of ion 1 on right wall = -4.94603471 Adsorption of ion 2 on left wall = -5.48468116 Adsorption of ion 2 on right wall = 6.86927767 ------------------------------------------------------------------------ net charge in left DL = -11.9289025 8.59831434 net charge in right DL = 11.8153124 -8.59831434 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.749474966 Relative adsorption of ion 1 on right wall = -0.575233064 Relative adsorption of ion 2 on left wall = -0.637878652 Relative adsorption of ion 2 on right wall = 0.798909809 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 845------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00635815426 Right electrode charge = -0.00635815426 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 317 -1.00 3.0000 1.5000 Na ion: 317 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99919 Bulk concentration of Na = 0.99960 ________________________________________________________________________ Average electrode charge 1 = 0.00787223689 Average electrode charge 2 = -0.00787223689 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397534 -0.568954 -0.567739 ________________________________________________________________________ Electrode charge exchange: 0.063603666 Move Jump Cl: 0.93400 0.36921 Na: 0.93451 0.36919 ________________________________________________________________________ Create NaCl : 929047. / 2532765. = 0.36681 Destroy NaCl : 929030. / 2535183. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.18636358 Potential at right wall /kT = -1.18995835 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6684942 Potential at right wall /mV = -30.7614221 ________________________________________________________________________ Capacitance of left DL = 0.037316758 Capacitance of right DL = 0.037204027 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63033763 Capacitance of right DL [F/m2] = 1.6254125 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43114053 Adsorption of ion 1 on right wall = -4.95039586 Adsorption of ion 2 on left wall = -5.49616141 Adsorption of ion 2 on right wall = 6.85766729 ------------------------------------------------------------------------ net charge in left DL = -11.9273019 9.53885211 net charge in right DL = 11.8080632 -9.53885211 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.674204868 Relative adsorption of ion 1 on right wall = -0.518971865 Relative adsorption of ion 2 on left wall = -0.576186877 Relative adsorption of ion 2 on right wall = 0.718919553 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 850------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00665573602 Right electrode charge = -0.00665573602 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99921 Bulk concentration of Na = 0.99961 ________________________________________________________________________ Average electrode charge 1 = 0.00787291413 Average electrode charge 2 = -0.00787291413 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397570 -0.568954 -0.567775 ________________________________________________________________________ Electrode charge exchange: 0.0636015685 Move Jump Cl: 0.93401 0.36920 Na: 0.93454 0.36922 ________________________________________________________________________ Create NaCl : 934588. / 2547771. = 0.36683 Destroy NaCl : 934595. / 2550212. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.18823892 Potential at right wall /kT = -1.19245075 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7169732 Potential at right wall /mV = -30.8258527 ________________________________________________________________________ Capacitance of left DL = 0.0390016489 Capacitance of right DL = 0.0388638919 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62776455 Capacitance of right DL [F/m2] = 1.62201515 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43902114 Adsorption of ion 1 on right wall = -4.96561445 Adsorption of ion 2 on left wall = -5.48912955 Adsorption of ion 2 on right wall = 6.84667545 ------------------------------------------------------------------------ net charge in left DL = -11.9281507 9.98530061 net charge in right DL = 11.8122899 -9.98530061 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.644850004 Relative adsorption of ion 1 on right wall = -0.497292435 Relative adsorption of ion 2 on left wall = -0.549721011 Relative adsorption of ion 2 on right wall = 0.685675447 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 855------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0083454357 Right electrode charge = -0.0083454357 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 265 -1.00 3.0000 1.5000 Na ion: 265 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99916 Bulk concentration of Na = 0.99954 ________________________________________________________________________ Average electrode charge 1 = 0.00787219122 Average electrode charge 2 = -0.00787219122 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397448 -0.568954 -0.567652 ________________________________________________________________________ Electrode charge exchange: 0.0636036446 Move Jump Cl: 0.93403 0.36925 Na: 0.93452 0.36925 ________________________________________________________________________ Create NaCl : 940103. / 2562800. = 0.36683 Destroy NaCl : 940138. / 2565219. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.18388931 Potential at right wall /kT = -1.18875244 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6045321 Potential at right wall /mV = -30.7302481 ________________________________________________________________________ Capacitance of left DL = 0.0490827141 Capacitance of right DL = 0.0488819191 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63374496 Capacitance of right DL [F/m2] = 1.62706139 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44190113 Adsorption of ion 1 on right wall = -4.96828299 Adsorption of ion 2 on left wall = -5.48106464 Adsorption of ion 2 on right wall = 6.84155748 ------------------------------------------------------------------------ net charge in left DL = -11.9229658 12.5202808 net charge in right DL = 11.8098405 -12.5202808 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.514517303 Relative adsorption of ion 1 on right wall = -0.396818813 Relative adsorption of ion 2 on left wall = -0.437774896 Relative adsorption of ion 2 on right wall = 0.546438021 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 860------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00988037094 Right electrode charge = -0.00988037094 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99908 Bulk concentration of Na = 0.99947 ________________________________________________________________________ Average electrode charge 1 = 0.0078687625 Average electrode charge 2 = -0.0078687625 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397299 -0.568954 -0.567504 ________________________________________________________________________ Electrode charge exchange: 0.0636170295 Move Jump Cl: 0.93401 0.36924 Na: 0.93450 0.36921 ________________________________________________________________________ Create NaCl : 945599. / 2577712. = 0.36684 Destroy NaCl : 945593. / 2580304. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.17964344 Potential at right wall /kT = -1.18529564 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4947729 Potential at right wall /mV = -30.6408869 ________________________________________________________________________ Capacitance of left DL = 0.0583194132 Capacitance of right DL = 0.0580413114 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63962526 Capacitance of right DL [F/m2] = 1.63180655 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47136719 Adsorption of ion 1 on right wall = -4.96970122 Adsorption of ion 2 on left wall = -5.4443812 Adsorption of ion 2 on right wall = 6.83204476 ------------------------------------------------------------------------ net charge in left DL = -11.9157484 14.823075 net charge in right DL = 11.801746 -14.823075 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.436573869 Relative adsorption of ion 1 on right wall = -0.335267901 Relative adsorption of ion 2 on left wall = -0.367290945 Relative adsorption of ion 2 on right wall = 0.460906039 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 865------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00972791148 Right electrode charge = -0.00972791148 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99904 Bulk concentration of Na = 0.99942 ________________________________________________________________________ Average electrode charge 1 = 0.00786637452 Average electrode charge 2 = -0.00786637452 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397216 -0.568954 -0.567421 ________________________________________________________________________ Electrode charge exchange: 0.0636183012 Move Jump Cl: 0.93401 0.36924 Na: 0.93451 0.36926 ________________________________________________________________________ Create NaCl : 951168. / 2592801. = 0.36685 Destroy NaCl : 951170. / 2595312. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.17789788 Potential at right wall /kT = -1.18212583 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4496486 Potential at right wall /mV = -30.5589449 ________________________________________________________________________ Capacitance of left DL = 0.057504605 Capacitance of right DL = 0.0572989356 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64205508 Capacitance of right DL [F/m2] = 1.63618215 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.474919 Adsorption of ion 1 on right wall = -4.96438678 Adsorption of ion 2 on left wall = -5.43450585 Adsorption of ion 2 on right wall = 6.83321361 ------------------------------------------------------------------------ net charge in left DL = -11.9094248 14.5943469 net charge in right DL = 11.7976004 -14.5943469 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.443659387 Relative adsorption of ion 1 on right wall = -0.3401582 Relative adsorption of ion 2 on left wall = -0.372370609 Relative adsorption of ion 2 on right wall = 0.468209619 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 870------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00781591694 Right electrode charge = -0.00781591694 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99907 Bulk concentration of Na = 0.99945 ________________________________________________________________________ Average electrode charge 1 = 0.00786437669 Average electrode charge 2 = -0.00786437669 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397262 -0.568954 -0.567466 ________________________________________________________________________ Electrode charge exchange: 0.063627314 Move Jump Cl: 0.93403 0.36921 Na: 0.93453 0.36920 ________________________________________________________________________ Create NaCl : 956704. / 2607931. = 0.36684 Destroy NaCl : 956698. / 2610448. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.17991105 Potential at right wall /kT = -1.18423841 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5016909 Potential at right wall /mV = -30.6135567 ________________________________________________________________________ Capacitance of left DL = 0.0461234004 Capacitance of right DL = 0.0459548597 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63925338 Capacitance of right DL [F/m2] = 1.63326334 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47402387 Adsorption of ion 1 on right wall = -4.94970027 Adsorption of ion 2 on left wall = -5.43421964 Adsorption of ion 2 on right wall = 6.84649281 ------------------------------------------------------------------------ net charge in left DL = -11.9082435 11.7258677 net charge in right DL = 11.7961931 -11.7258677 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.552114694 Relative adsorption of ion 1 on right wall = -0.422118038 Relative adsorption of ion 2 on left wall = -0.463438593 Relative adsorption of ion 2 on right wall = 0.583879417 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 875------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00947055602 Right electrode charge = -0.00947055602 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99897 Bulk concentration of Na = 0.99935 ________________________________________________________________________ Average electrode charge 1 = 0.00786612035 Average electrode charge 2 = -0.00786612035 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397074 -0.568954 -0.567278 ________________________________________________________________________ Electrode charge exchange: 0.0636313051 Move Jump Cl: 0.93405 0.36918 Na: 0.93451 0.36922 ________________________________________________________________________ Create NaCl : 962143. / 2622842. = 0.36683 Destroy NaCl : 962168. / 2625467. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.17279272 Potential at right wall /kT = -1.17766369 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3176761 Potential at right wall /mV = -30.4435947 ________________________________________________________________________ Capacitance of left DL = 0.0562269942 Capacitance of right DL = 0.0559944321 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64920292 Capacitance of right DL [F/m2] = 1.64238161 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48414828 Adsorption of ion 1 on right wall = -4.94165429 Adsorption of ion 2 on left wall = -5.42084841 Adsorption of ion 2 on right wall = 6.85304806 ------------------------------------------------------------------------ net charge in left DL = -11.9049967 14.2082481 net charge in right DL = 11.7947024 -14.2082481 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.45636508 Relative adsorption of ion 1 on right wall = -0.347801802 Relative adsorption of ion 2 on left wall = -0.381528276 Relative adsorption of ion 2 on right wall = 0.482328856 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 880------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00756696038 Right electrode charge = -0.00756696038 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99895 Bulk concentration of Na = 0.99934 ________________________________________________________________________ Average electrode charge 1 = 0.00786755168 Average electrode charge 2 = -0.00786755168 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397042 -0.568954 -0.567246 ________________________________________________________________________ Electrode charge exchange: 0.0636385089 Move Jump Cl: 0.93404 0.36921 Na: 0.93454 0.36922 ________________________________________________________________________ Create NaCl : 967679. / 2637796. = 0.36685 Destroy NaCl : 967674. / 2640469. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.16982307 Potential at right wall /kT = -1.17398042 ------------------------------------------------------------------------ Potential at left wall /mV = 30.240908 Potential at right wall /mV = -30.3483791 ________________________________________________________________________ Capacitance of left DL = 0.0450393311 Capacitance of right DL = 0.0448798357 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65338951 Capacitance of right DL [F/m2] = 1.64753445 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49762375 Adsorption of ion 1 on right wall = -4.94337038 Adsorption of ion 2 on left wall = -5.40861423 Adsorption of ion 2 on right wall = 6.84966228 ------------------------------------------------------------------------ net charge in left DL = -11.906238 11.3523694 net charge in right DL = 11.7930327 -11.3523694 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.572358378 Relative adsorption of ion 1 on right wall = -0.435448337 Relative adsorption of ion 2 on left wall = -0.476430429 Relative adsorption of ion 2 on right wall = 0.603368516 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 885------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00627298557 Right electrode charge = -0.00627298557 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99900 Bulk concentration of Na = 0.99943 ________________________________________________________________________ Average electrode charge 1 = 0.00786263026 Average electrode charge 2 = -0.00786263026 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397172 -0.568954 -0.567377 ________________________________________________________________________ Electrode charge exchange: 0.0636273407 Move Jump Cl: 0.93403 0.36922 Na: 0.93452 0.36921 ________________________________________________________________________ Create NaCl : 973155. / 2652818. = 0.36684 Destroy NaCl : 973167. / 2655471. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.17321214 Potential at right wall /kT = -1.17704876 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3285183 Potential at right wall /mV = -30.4276983 ________________________________________________________________________ Capacitance of left DL = 0.0372296021 Capacitance of right DL = 0.0371082511 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64861335 Capacitance of right DL [F/m2] = 1.64323964 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49843382 Adsorption of ion 1 on right wall = -4.94204189 Adsorption of ion 2 on left wall = -5.40946806 Adsorption of ion 2 on right wall = 6.83976791 ------------------------------------------------------------------------ net charge in left DL = -11.9079019 9.41107736 net charge in right DL = 11.7818098 -9.41107736 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.690509021 Relative adsorption of ion 1 on right wall = -0.525130301 Relative adsorption of ion 2 on left wall = -0.574797959 Relative adsorption of ion 2 on right wall = 0.726778418 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 890------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00432910867 Right electrode charge = -0.00432910867 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99898 Bulk concentration of Na = 0.99939 ________________________________________________________________________ Average electrode charge 1 = 0.00785907725 Average electrode charge 2 = -0.00785907725 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.397117 -0.568954 -0.567322 ________________________________________________________________________ Electrode charge exchange: 0.06362614 Move Jump Cl: 0.93402 0.36919 Na: 0.93453 0.36920 ________________________________________________________________________ Create NaCl : 978702. / 2667654. = 0.36688 Destroy NaCl : 978718. / 2670634. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.17554129 Potential at right wall /kT = -1.17963804 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3887288 Potential at right wall /mV = -30.4946333 ________________________________________________________________________ Capacitance of left DL = 0.0256419621 Capacitance of right DL = 0.0255529104 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64534688 Capacitance of right DL [F/m2] = 1.63963277 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50339375 Adsorption of ion 1 on right wall = -4.95001206 Adsorption of ion 2 on left wall = -5.39757694 Adsorption of ion 2 on right wall = 6.83203898 ------------------------------------------------------------------------ net charge in left DL = -11.9009707 6.49476652 net charge in right DL = 11.782051 -6.49476652 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.00132834 Relative adsorption of ion 1 on right wall = -0.762153965 Relative adsorption of ion 2 on left wall = -0.831065585 Relative adsorption of ion 2 on right wall = 1.05192988 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 895------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00883334758 Right electrode charge = -0.00883334758 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99891 Bulk concentration of Na = 0.99932 ________________________________________________________________________ Average electrode charge 1 = 0.00785969358 Average electrode charge 2 = -0.00785969358 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396976 -0.568954 -0.567181 ________________________________________________________________________ Electrode charge exchange: 0.0636285194 Move Jump Cl: 0.93399 0.36919 Na: 0.93448 0.36920 ________________________________________________________________________ Create NaCl : 984244. / 2682605. = 0.36690 Destroy NaCl : 984253. / 2685729. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.17625142 Potential at right wall /kT = -1.18078646 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4070863 Potential at right wall /mV = -30.5243209 ________________________________________________________________________ Capacitance of left DL = 0.0522896593 Capacitance of right DL = 0.0520888306 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64435354 Capacitance of right DL [F/m2] = 1.63803808 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50609403 Adsorption of ion 1 on right wall = -4.96133865 Adsorption of ion 2 on left wall = -5.39754242 Adsorption of ion 2 on right wall = 6.82131689 ------------------------------------------------------------------------ net charge in left DL = -11.9036365 13.252273 net charge in right DL = 11.7826555 -13.252273 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490941744 Relative adsorption of ion 1 on right wall = -0.374376429 Relative adsorption of ion 2 on left wall = -0.407291822 Relative adsorption of ion 2 on right wall = 0.514728068 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 900------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00739973871 Right electrode charge = -0.00739973871 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99889 Bulk concentration of Na = 0.99929 ________________________________________________________________________ Average electrode charge 1 = 0.00785824411 Average electrode charge 2 = -0.00785824411 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396932 -0.568954 -0.567137 ________________________________________________________________________ Electrode charge exchange: 0.0636264837 Move Jump Cl: 0.93399 0.36916 Na: 0.93449 0.36916 ________________________________________________________________________ Create NaCl : 989852. / 2697814. = 0.36691 Destroy NaCl : 989856. / 2700766. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.17916014 Potential at right wall /kT = -1.18405725 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4822792 Potential at right wall /mV = -30.6088735 ________________________________________________________________________ Capacitance of left DL = 0.0436952519 Capacitance of right DL = 0.043514534 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64029729 Capacitance of right DL [F/m2] = 1.63351324 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51804295 Adsorption of ion 1 on right wall = -4.97151881 Adsorption of ion 2 on left wall = -5.38481019 Adsorption of ion 2 on right wall = 6.81249213 ------------------------------------------------------------------------ net charge in left DL = -11.9028531 11.1014943 net charge in right DL = 11.7840109 -11.1014943 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.587132037 Relative adsorption of ion 1 on right wall = -0.447824291 Relative adsorption of ion 2 on left wall = -0.485052737 Relative adsorption of ion 2 on right wall = 0.613655419 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 905------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00603004758 Right electrode charge = -0.00603004758 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 323 -1.00 3.0000 1.5000 Na ion: 323 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99878 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00785694833 Average electrode charge 2 = -0.00785694833 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396726 -0.568954 -0.566931 ________________________________________________________________________ Electrode charge exchange: 0.0636385308 Move Jump Cl: 0.93402 0.36916 Na: 0.93450 0.36918 ________________________________________________________________________ Create NaCl : 995301. / 2712636. = 0.36691 Destroy NaCl : 995278. / 2715691. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.1748626 Potential at right wall /kT = -1.17950634 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3711841 Potential at right wall /mV = -30.4912286 ________________________________________________________________________ Capacitance of left DL = 0.035737512 Capacitance of right DL = 0.0355968127 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64629736 Capacitance of right DL [F/m2] = 1.63981585 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52515674 Adsorption of ion 1 on right wall = -4.96976195 Adsorption of ion 2 on left wall = -5.37374159 Adsorption of ion 2 on right wall = 6.80835647 ------------------------------------------------------------------------ net charge in left DL = -11.8988983 9.04660846 net charge in right DL = 11.7781184 -9.04660846 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.721282099 Relative adsorption of ion 1 on right wall = -0.54935084 Relative adsorption of ion 2 on left wall = -0.594006209 Relative adsorption of ion 2 on right wall = 0.752586619 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 910------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00587985228 Right electrode charge = -0.00587985228 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 321 -1.00 3.0000 1.5000 Na ion: 321 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99884 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00785576261 Average electrode charge 2 = -0.00785576261 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396848 -0.568954 -0.567052 ________________________________________________________________________ Electrode charge exchange: 0.0636332772 Move Jump Cl: 0.93401 0.36912 Na: 0.93449 0.36917 ________________________________________________________________________ Create NaCl : 1000778. / 2727498. = 0.36692 Destroy NaCl : 1000757. / 2730818. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.17101596 Potential at right wall /kT = -1.17534221 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2717452 Potential at right wall /mV = -30.3835824 ________________________________________________________________________ Capacitance of left DL = 0.0349618379 Capacitance of right DL = 0.0348331489 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65170524 Capacitance of right DL [F/m2] = 1.64562557 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52175093 Adsorption of ion 1 on right wall = -4.9885574 Adsorption of ion 2 on left wall = -5.37262147 Adsorption of ion 2 on right wall = 6.78517148 ------------------------------------------------------------------------ net charge in left DL = -11.8943724 8.82127722 net charge in right DL = 11.7737289 -8.82127722 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.739320482 Relative adsorption of ion 1 on right wall = -0.565514185 Relative adsorption of ion 2 on left wall = -0.609052559 Relative adsorption of ion 2 on right wall = 0.769182434 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 915------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00846343286 Right electrode charge = -0.00846343286 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99885 Bulk concentration of Na = 0.99927 ________________________________________________________________________ Average electrode charge 1 = 0.00785446045 Average electrode charge 2 = -0.00785446045 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396875 -0.568954 -0.567080 ________________________________________________________________________ Electrode charge exchange: 0.0636307337 Move Jump Cl: 0.93403 0.36915 Na: 0.93450 0.36918 ________________________________________________________________________ Create NaCl : 1006355. / 2742631. = 0.36693 Destroy NaCl : 1006343. / 2745748. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.16999365 Potential at right wall /kT = -1.17460101 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2453177 Potential at right wall /mV = -30.3644218 ________________________________________________________________________ Capacitance of left DL = 0.0503678834 Capacitance of right DL = 0.050170316 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65314845 Capacitance of right DL [F/m2] = 1.64666399 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51249283 Adsorption of ion 1 on right wall = -4.98330562 Adsorption of ion 2 on left wall = -5.38099381 Adsorption of ion 2 on right wall = 6.78651083 ------------------------------------------------------------------------ net charge in left DL = -11.8934866 12.6973067 net charge in right DL = 11.7698165 -12.6973067 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.512903485 Relative adsorption of ion 1 on right wall = -0.392469502 Relative adsorption of ion 2 on left wall = -0.423790175 Relative adsorption of ion 2 on right wall = 0.534484282 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 920------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0074833627 Right electrode charge = -0.0074833627 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00785089591 Average electrode charge 2 = -0.00785089591 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396586 -0.568954 -0.566790 ________________________________________________________________________ Electrode charge exchange: 0.0636408896 Move Jump Cl: 0.93403 0.36915 Na: 0.93451 0.36922 ________________________________________________________________________ Create NaCl : 1011887. / 2757472. = 0.36696 Destroy NaCl : 1011913. / 2760809. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.17016356 Potential at right wall /kT = -1.17477629 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2497101 Potential at right wall /mV = -30.3689531 ________________________________________________________________________ Capacitance of left DL = 0.0445287883 Capacitance of right DL = 0.044353947 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6529084 Capacitance of right DL [F/m2] = 1.6464183 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50047593 Adsorption of ion 1 on right wall = -4.96942524 Adsorption of ion 2 on left wall = -5.39072556 Adsorption of ion 2 on right wall = 6.79231058 ------------------------------------------------------------------------ net charge in left DL = -11.8912015 11.2269516 net charge in right DL = 11.7617358 -11.2269516 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.579006321 Relative adsorption of ion 1 on right wall = -0.442633533 Relative adsorption of ion 2 on left wall = -0.48015933 Relative adsorption of ion 2 on right wall = 0.605000434 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 925------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102456292 Right electrode charge = -0.0102456292 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99874 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00785022327 Average electrode charge 2 = -0.00785022327 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396626 -0.568954 -0.566830 ________________________________________________________________________ Electrode charge exchange: 0.0636308672 Move Jump Cl: 0.93398 0.36912 Na: 0.93450 0.36920 ________________________________________________________________________ Create NaCl : 1017379. / 2772489. = 0.36696 Destroy NaCl : 1017386. / 2775701. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.16764087 Potential at right wall /kT = -1.17170953 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1844964 Potential at right wall /mV = -30.2896746 ________________________________________________________________________ Capacitance of left DL = 0.0610970161 Capacitance of right DL = 0.060884862 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65647952 Capacitance of right DL [F/m2] = 1.65072754 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49214399 Adsorption of ion 1 on right wall = -4.97166267 Adsorption of ion 2 on left wall = -5.39016833 Adsorption of ion 2 on right wall = 6.79292303 ------------------------------------------------------------------------ net charge in left DL = -11.8823123 15.3710555 net charge in right DL = 11.7645857 -15.3710555 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.422361626 Relative adsorption of ion 1 on right wall = -0.323443154 Relative adsorption of ion 2 on left wall = -0.350670019 Relative adsorption of ion 2 on right wall = 0.44192951 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 930------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0088226876 Right electrode charge = -0.0088226876 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99912 ________________________________________________________________________ Average electrode charge 1 = 0.0078520248 Average electrode charge 2 = -0.0078520248 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396565 -0.568954 -0.566769 ________________________________________________________________________ Electrode charge exchange: 0.0636465979 Move Jump Cl: 0.93399 0.36912 Na: 0.93449 0.36920 ________________________________________________________________________ Create NaCl : 1022904. / 2787483. = 0.36696 Destroy NaCl : 1022914. / 2790629. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.16598808 Potential at right wall /kT = -1.17004032 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1417703 Potential at right wall /mV = -30.2465241 ________________________________________________________________________ Capacitance of left DL = 0.0526862691 Capacitance of right DL = 0.0525037989 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65882759 Capacitance of right DL [F/m2] = 1.65308251 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48136145 Adsorption of ion 1 on right wall = -4.95615262 Adsorption of ion 2 on left wall = -5.40481694 Adsorption of ion 2 on right wall = 6.8074362 ------------------------------------------------------------------------ net charge in left DL = -11.8861784 13.2362803 net charge in right DL = 11.7635888 -13.2362803 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.489666377 Relative adsorption of ion 1 on right wall = -0.374436964 Relative adsorption of ion 2 on left wall = -0.40833352 Relative adsorption of ion 2 on right wall = 0.5143013 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 935------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00797248639 Right electrode charge = -0.00797248639 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99858 Bulk concentration of Na = 0.99897 ________________________________________________________________________ Average electrode charge 1 = 0.00785139143 Average electrode charge 2 = -0.00785139143 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396299 -0.568954 -0.566504 ________________________________________________________________________ Electrode charge exchange: 0.0636653 Move Jump Cl: 0.93399 0.36913 Na: 0.93450 0.36921 ________________________________________________________________________ Create NaCl : 1028393. / 2802154. = 0.36700 Destroy NaCl : 1028395. / 2805707. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.16530047 Potential at right wall /kT = -1.16867144 ------------------------------------------------------------------------ Potential at left wall /mV = 30.123995 Potential at right wall /mV = -30.2111374 ________________________________________________________________________ Capacitance of left DL = 0.047637232 Capacitance of right DL = 0.047499825 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65980641 Capacitance of right DL [F/m2] = 1.65501879 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47972268 Adsorption of ion 1 on right wall = -4.94462901 Adsorption of ion 2 on left wall = -5.3992912 Adsorption of ion 2 on right wall = 6.82275675 ------------------------------------------------------------------------ net charge in left DL = -11.8790139 11.9607618 net charge in right DL = 11.7673858 -11.9607618 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.541748326 Relative adsorption of ion 1 on right wall = -0.413404187 Relative adsorption of ion 2 on left wall = -0.451416999 Relative adsorption of ion 2 on right wall = 0.570428277 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 940------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00826403708 Right electrode charge = -0.00826403708 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99864 Bulk concentration of Na = 0.99904 ________________________________________________________________________ Average electrode charge 1 = 0.00784774041 Average electrode charge 2 = -0.00784774041 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396421 -0.568954 -0.566626 ________________________________________________________________________ Electrode charge exchange: 0.0636832939 Move Jump Cl: 0.93401 0.36917 Na: 0.93450 0.36926 ________________________________________________________________________ Create NaCl : 1033947. / 2817248. = 0.36701 Destroy NaCl : 1033942. / 2820639. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.16471867 Potential at right wall /kT = -1.16830274 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1089551 Potential at right wall /mV = -30.2016062 ________________________________________________________________________ Capacitance of left DL = 0.0494039726 Capacitance of right DL = 0.0492524133 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66063551 Capacitance of right DL [F/m2] = 1.65554109 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47358179 Adsorption of ion 1 on right wall = -4.96299294 Adsorption of ion 2 on left wall = -5.40234717 Adsorption of ion 2 on right wall = 6.79632508 ------------------------------------------------------------------------ net charge in left DL = -11.875929 12.3981622 net charge in right DL = 11.759318 -12.3981622 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.522140436 Relative adsorption of ion 1 on right wall = -0.400300696 Relative adsorption of ion 2 on left wall = -0.435737741 Relative adsorption of ion 2 on right wall = 0.548171979 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 945------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00639550192 Right electrode charge = -0.00639550192 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99858 Bulk concentration of Na = 0.99895 ________________________________________________________________________ Average electrode charge 1 = 0.00784409221 Average electrode charge 2 = -0.00784409221 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396281 -0.568954 -0.566486 ________________________________________________________________________ Electrode charge exchange: 0.06366834 Move Jump Cl: 0.93400 0.36918 Na: 0.93452 0.36924 ________________________________________________________________________ Create NaCl : 1039495. / 2832229. = 0.36702 Destroy NaCl : 1039509. / 2835507. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.16194369 Potential at right wall /kT = -1.16604602 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0372194 Potential at right wall /mV = -30.1432682 ________________________________________________________________________ Capacitance of left DL = 0.0383248272 Capacitance of right DL = 0.0381899944 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66460149 Capacitance of right DL [F/m2] = 1.65874515 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46775601 Adsorption of ion 1 on right wall = -4.94804372 Adsorption of ion 2 on left wall = -5.39728274 Adsorption of ion 2 on right wall = 6.80777308 ------------------------------------------------------------------------ net charge in left DL = -11.8650388 9.59488312 net charge in right DL = 11.7558168 -9.59488312 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.674083877 Relative adsorption of ion 1 on right wall = -0.515696091 Relative adsorption of ion 2 on left wall = -0.562516778 Relative adsorption of ion 2 on right wall = 0.70952121 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 950------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100670802 Right electrode charge = -0.0100670802 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99861 Bulk concentration of Na = 0.99897 ________________________________________________________________________ Average electrode charge 1 = 0.00784134688 Average electrode charge 2 = -0.00784134688 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396324 -0.568954 -0.566529 ________________________________________________________________________ Electrode charge exchange: 0.0636675954 Move Jump Cl: 0.93401 0.36919 Na: 0.93454 0.36925 ________________________________________________________________________ Create NaCl : 1044968. / 2847175. = 0.36702 Destroy NaCl : 1044963. / 2850494. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.15353967 Potential at right wall /kT = -1.15844352 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8199686 Potential at right wall /mV = -29.9467373 ________________________________________________________________________ Capacitance of left DL = 0.0607661394 Capacitance of right DL = 0.060508908 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67672879 Capacitance of right DL [F/m2] = 1.66963097 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45388451 Adsorption of ion 1 on right wall = -4.95349751 Adsorption of ion 2 on left wall = -5.39987992 Adsorption of ion 2 on right wall = 6.7943207 ------------------------------------------------------------------------ net charge in left DL = -11.8537644 15.1031865 net charge in right DL = 11.7478182 -15.1031865 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.427319395 Relative adsorption of ion 1 on right wall = -0.327976982 Relative adsorption of ion 2 on left wall = -0.357532494 Relative adsorption of ion 2 on right wall = 0.449860082 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 955------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00826857565 Right electrode charge = -0.00826857565 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99893 ________________________________________________________________________ Average electrode charge 1 = 0.007840692 Average electrode charge 2 = -0.007840692 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396267 -0.568954 -0.566471 ________________________________________________________________________ Electrode charge exchange: 0.0636809276 Move Jump Cl: 0.93403 0.36920 Na: 0.93452 0.36925 ________________________________________________________________________ Create NaCl : 1050538. / 2862222. = 0.36704 Destroy NaCl : 1050549. / 2865620. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.16238014 Potential at right wall /kT = -1.16749369 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0485021 Potential at right wall /mV = -30.1806917 ________________________________________________________________________ Capacitance of left DL = 0.0495305529 Capacitance of right DL = 0.049313612 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66397646 Capacitance of right DL [F/m2] = 1.65668834 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45766286 Adsorption of ion 1 on right wall = -4.96459229 Adsorption of ion 2 on left wall = -5.39873361 Adsorption of ion 2 on right wall = 6.79140164 ------------------------------------------------------------------------ net charge in left DL = -11.8563965 12.4049712 net charge in right DL = 11.7559939 -12.4049712 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.520570566 Relative adsorption of ion 1 on right wall = -0.400209901 Relative adsorption of ion 2 on left wall = -0.435207268 Relative adsorption of ion 2 on right wall = 0.547474198 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 960------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00942391389 Right electrode charge = -0.00942391389 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99857 Bulk concentration of Na = 0.99894 ________________________________________________________________________ Average electrode charge 1 = 0.00784486639 Average electrode charge 2 = -0.00784486639 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396254 -0.568954 -0.566459 ________________________________________________________________________ Electrode charge exchange: 0.063679877 Move Jump Cl: 0.93404 0.36917 Na: 0.93451 0.36925 ________________________________________________________________________ Create NaCl : 1055971. / 2877372. = 0.36699 Destroy NaCl : 1055977. / 2880709. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.16332806 Potential at right wall /kT = -1.16845436 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0730067 Potential at right wall /mV = -30.2055258 ________________________________________________________________________ Capacitance of left DL = 0.0564052796 Capacitance of right DL = 0.0561578157 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66262058 Capacitance of right DL [F/m2] = 1.65532626 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47330842 Adsorption of ion 1 on right wall = -4.95380599 Adsorption of ion 2 on left wall = -5.3944184 Adsorption of ion 2 on right wall = 6.80421962 ------------------------------------------------------------------------ net charge in left DL = -11.8677268 14.138273 net charge in right DL = 11.7580256 -14.138273 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.457857081 Relative adsorption of ion 1 on right wall = -0.35038268 Relative adsorption of ion 2 on left wall = -0.381547194 Relative adsorption of ion 2 on right wall = 0.481262429 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 965------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00871330704 Right electrode charge = -0.00871330704 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99854 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.00784857482 Average electrode charge 2 = -0.00784857482 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396167 -0.568954 -0.566371 ________________________________________________________________________ Electrode charge exchange: 0.0636805698 Move Jump Cl: 0.93406 0.36916 Na: 0.93449 0.36922 ________________________________________________________________________ Create NaCl : 1061521. / 2892429. = 0.36700 Destroy NaCl : 1061511. / 2895834. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.1672461 Potential at right wall /kT = -1.1726499 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1742912 Potential at right wall /mV = -30.3139839 ________________________________________________________________________ Capacitance of left DL = 0.0519770036 Capacitance of right DL = 0.0517374836 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65703975 Capacitance of right DL [F/m2] = 1.64940379 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48032393 Adsorption of ion 1 on right wall = -4.94565111 Adsorption of ion 2 on left wall = -5.39172615 Adsorption of ion 2 on right wall = 6.82455719 ------------------------------------------------------------------------ net charge in left DL = -11.8720501 13.0721816 net charge in right DL = 11.7702083 -13.0721816 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495733928 Relative adsorption of ion 1 on right wall = -0.378334027 Relative adsorption of ion 2 on left wall = -0.41245802 Relative adsorption of ion 2 on right wall = 0.522067195 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 970------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00743165501 Right electrode charge = -0.00743165501 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99893 ________________________________________________________________________ Average electrode charge 1 = 0.00785321033 Average electrode charge 2 = -0.00785321033 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396260 -0.568954 -0.566465 ________________________________________________________________________ Electrode charge exchange: 0.0636845949 Move Jump Cl: 0.93407 0.36914 Na: 0.93449 0.36922 ________________________________________________________________________ Create NaCl : 1067067. / 2907438. = 0.36701 Destroy NaCl : 1067063. / 2910748. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16528263 Potential at right wall /kT = -1.17081833 ------------------------------------------------------------------------ Potential at left wall /mV = 30.123534 Potential at right wall /mV = -30.2666365 ________________________________________________________________________ Capacitance of left DL = 0.0444063338 Capacitance of right DL = 0.044196378 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65983181 Capacitance of right DL [F/m2] = 1.65198403 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47993037 Adsorption of ion 1 on right wall = -4.95450227 Adsorption of ion 2 on left wall = -5.39578556 Adsorption of ion 2 on right wall = 6.82228574 ------------------------------------------------------------------------ net charge in left DL = -11.8757159 11.1493769 net charge in right DL = 11.776788 -11.1493769 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581192155 Relative adsorption of ion 1 on right wall = -0.444374814 Relative adsorption of ion 2 on left wall = -0.483954002 Relative adsorption of ion 2 on right wall = 0.611898388 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 975------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00857830191 Right electrode charge = -0.00857830191 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99873 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00785159098 Average electrode charge 2 = -0.00785159098 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396568 -0.568954 -0.566772 ________________________________________________________________________ Electrode charge exchange: 0.0636817055 Move Jump Cl: 0.93407 0.36914 Na: 0.93447 0.36921 ________________________________________________________________________ Create NaCl : 1072573. / 2922637. = 0.36699 Destroy NaCl : 1072572. / 2925602. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.16525555 Potential at right wall /kT = -1.17053989 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1228339 Potential at right wall /mV = -30.2594384 ________________________________________________________________________ Capacitance of left DL = 0.051259079 Capacitance of right DL = 0.0510276728 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65987039 Capacitance of right DL [F/m2] = 1.652377 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47024866 Adsorption of ion 1 on right wall = -4.95409424 Adsorption of ion 2 on left wall = -5.40668447 Adsorption of ion 2 on right wall = 6.81664289 ------------------------------------------------------------------------ net charge in left DL = -11.8769331 12.8696395 net charge in right DL = 11.7707371 -12.8696395 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.502752906 Relative adsorption of ion 1 on right wall = -0.38494429 Relative adsorption of ion 2 on left wall = -0.42011157 Relative adsorption of ion 2 on right wall = 0.529668518 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 980------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00787338529 Right electrode charge = -0.00787338529 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99871 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00785255182 Average electrode charge 2 = -0.00785255182 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396501 -0.568954 -0.566706 ________________________________________________________________________ Electrode charge exchange: 0.0636760373 Move Jump Cl: 0.93410 0.36913 Na: 0.93446 0.36921 ________________________________________________________________________ Create NaCl : 1078041. / 2937623. = 0.36698 Destroy NaCl : 1078053. / 2940631. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.16705047 Potential at right wall /kT = -1.17239991 ------------------------------------------------------------------------ Potential at left wall /mV = 30.169234 Potential at right wall /mV = -30.3075216 ________________________________________________________________________ Capacitance of left DL = 0.0469745383 Capacitance of right DL = 0.0467602021 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65731752 Capacitance of right DL [F/m2] = 1.64975548 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47701072 Adsorption of ion 1 on right wall = -4.96090391 Adsorption of ion 2 on left wall = -5.39942643 Adsorption of ion 2 on right wall = 6.81578582 ------------------------------------------------------------------------ net charge in left DL = -11.8764371 11.8120849 net charge in right DL = 11.7766897 -11.8120849 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.548337637 Relative adsorption of ion 1 on right wall = -0.41998546 Relative adsorption of ion 2 on left wall = -0.457110364 Relative adsorption of ion 2 on right wall = 0.577018018 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 985------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00837388339 Right electrode charge = -0.00837388339 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99871 Bulk concentration of Na = 0.99904 ________________________________________________________________________ Average electrode charge 1 = 0.00785642026 Average electrode charge 2 = -0.00785642026 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396504 -0.568954 -0.566709 ________________________________________________________________________ Electrode charge exchange: 0.0636680406 Move Jump Cl: 0.93409 0.36912 Na: 0.93446 0.36924 ________________________________________________________________________ Create NaCl : 1083565. / 2952677. = 0.36698 Destroy NaCl : 1083568. / 2955680. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.1709703 Potential at right wall /kT = -1.17700849 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2705649 Potential at right wall /mV = -30.4266573 ________________________________________________________________________ Capacitance of left DL = 0.0497933885 Capacitance of right DL = 0.0495379426 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65176964 Capacitance of right DL [F/m2] = 1.64329586 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49043354 Adsorption of ion 1 on right wall = -4.98689895 Adsorption of ion 2 on left wall = -5.39264131 Adsorption of ion 2 on right wall = 6.80050167 ------------------------------------------------------------------------ net charge in left DL = -11.8830748 12.5629596 net charge in right DL = 11.7874006 -12.5629596 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.516632524 Relative adsorption of ion 1 on right wall = -0.396952557 Relative adsorption of ion 2 on left wall = -0.429249275 Relative adsorption of ion 2 on right wall = 0.541313662 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 990------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00667720144 Right electrode charge = -0.00667720144 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99875 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00785966967 Average electrode charge 2 = -0.00785966967 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396599 -0.568954 -0.566804 ________________________________________________________________________ Electrode charge exchange: 0.0636644308 Move Jump Cl: 0.93412 0.36914 Na: 0.93445 0.36926 ________________________________________________________________________ Create NaCl : 1089020. / 2967588. = 0.36697 Destroy NaCl : 1089019. / 2970556. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.17585413 Potential at right wall /kT = -1.18256284 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3968161 Potential at right wall /mV = -30.5702419 ________________________________________________________________________ Capacitance of left DL = 0.0395395462 Capacitance of right DL = 0.0393152373 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64490912 Capacitance of right DL [F/m2] = 1.63557751 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50093289 Adsorption of ion 1 on right wall = -5.01089413 Adsorption of ion 2 on left wall = -5.39477349 Adsorption of ion 2 on right wall = 6.78092912 ------------------------------------------------------------------------ net charge in left DL = -11.8957064 10.0175042 net charge in right DL = 11.7918233 -10.0175042 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.648957341 Relative adsorption of ion 1 on right wall = -0.500213829 Relative adsorption of ion 2 on left wall = -0.538534687 Relative adsorption of ion 2 on right wall = 0.676908039 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 995------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0111194754 Right electrode charge = -0.0111194754 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99875 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00786023393 Average electrode charge 2 = -0.00786023393 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396647 -0.568954 -0.566851 ________________________________________________________________________ Electrode charge exchange: 0.0636533215 Move Jump Cl: 0.93414 0.36912 Na: 0.93446 0.36924 ________________________________________________________________________ Create NaCl : 1094496. / 2982432. = 0.36698 Destroy NaCl : 1094489. / 2985612. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.17411971 Potential at right wall /kT = -1.18131944 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3519797 Potential at right wall /mV = -30.5380988 ________________________________________________________________________ Capacitance of left DL = 0.0659420695 Capacitance of right DL = 0.0655401756 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.647339 Capacitance of right DL [F/m2] = 1.63729905 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50295377 Adsorption of ion 1 on right wall = -4.99883149 Adsorption of ion 2 on left wall = -5.39798151 Adsorption of ion 2 on right wall = 6.78756656 ------------------------------------------------------------------------ net charge in left DL = -11.9009353 16.6820475 net charge in right DL = 11.7863981 -16.6820475 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.389817484 Relative adsorption of ion 1 on right wall = -0.299653355 Relative adsorption of ion 2 on left wall = -0.323580275 Relative adsorption of ion 2 on right wall = 0.406878507 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1000------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00586018101 Right electrode charge = -0.00586018101 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99862 Bulk concentration of Na = 0.99900 ________________________________________________________________________ Average electrode charge 1 = 0.00786126587 Average electrode charge 2 = -0.00786126587 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396369 -0.568954 -0.566574 ________________________________________________________________________ Electrode charge exchange: 0.0636617122 Move Jump Cl: 0.93414 0.36913 Na: 0.93448 0.36927 ________________________________________________________________________ Create NaCl : 1099967. / 2997131. = 0.36701 Destroy NaCl : 1099975. / 3000866. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.17240124 Potential at right wall /kT = -1.18000032 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3075559 Potential at right wall /mV = -30.5039985 ________________________________________________________________________ Capacitance of left DL = 0.0348036998 Capacitance of right DL = 0.0345795677 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64975362 Capacitance of right DL [F/m2] = 1.63912938 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4972331 Adsorption of ion 1 on right wall = -4.98613506 Adsorption of ion 2 on left wall = -5.40371909 Adsorption of ion 2 on right wall = 6.80111241 ------------------------------------------------------------------------ net charge in left DL = -11.9009522 8.7917653 net charge in right DL = 11.7872475 -8.7917653 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.739013484 Relative adsorption of ion 1 on right wall = -0.567136962 Relative adsorption of ion 2 on left wall = -0.614634138 Relative adsorption of ion 2 on right wall = 0.773577568 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1005------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00884403475 Right electrode charge = -0.00884403475 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99856 Bulk concentration of Na = 0.99894 ________________________________________________________________________ Average electrode charge 1 = 0.00785930109 Average electrode charge 2 = -0.00785930109 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396242 -0.568954 -0.566447 ________________________________________________________________________ Electrode charge exchange: 0.0636618923 Move Jump Cl: 0.93415 0.36917 Na: 0.93449 0.36926 ________________________________________________________________________ Create NaCl : 1105444. / 3012102. = 0.36700 Destroy NaCl : 1105455. / 3015711. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.1674039 Potential at right wall /kT = -1.17538259 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1783706 Potential at right wall /mV = -30.3846264 ________________________________________________________________________ Capacitance of left DL = 0.0527496949 Capacitance of right DL = 0.0523916213 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65681576 Capacitance of right DL [F/m2] = 1.64556902 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49654922 Adsorption of ion 1 on right wall = -4.97677839 Adsorption of ion 2 on left wall = -5.39710141 Adsorption of ion 2 on right wall = 6.80531045 ------------------------------------------------------------------------ net charge in left DL = -11.8936506 13.2683065 net charge in right DL = 11.7820888 -13.2683065 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.489629119 Relative adsorption of ion 1 on right wall = -0.375087686 Relative adsorption of ion 2 on left wall = -0.40676641 Relative adsorption of ion 2 on right wall = 0.512899702 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1010------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0112051161 Right electrode charge = -0.0112051161 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99892 ________________________________________________________________________ Average electrode charge 1 = 0.00785771785 Average electrode charge 2 = -0.00785771785 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396258 -0.568954 -0.566463 ________________________________________________________________________ Electrode charge exchange: 0.0636652986 Move Jump Cl: 0.93415 0.36915 Na: 0.93446 0.36926 ________________________________________________________________________ Create NaCl : 1110970. / 3026900. = 0.36703 Destroy NaCl : 1110974. / 3030768. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.17086975 Potential at right wall /kT = -1.17857564 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2679657 Potential at right wall /mV = -30.4671695 ________________________________________________________________________ Capacitance of left DL = 0.0666343901 Capacitance of right DL = 0.0661987138 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65191148 Capacitance of right DL [F/m2] = 1.64111077 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48474405 Adsorption of ion 1 on right wall = -4.98679926 Adsorption of ion 2 on left wall = -5.40203602 Adsorption of ion 2 on right wall = 6.80273436 ------------------------------------------------------------------------ net charge in left DL = -11.8867801 16.8105304 net charge in right DL = 11.7895336 -16.8105304 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.385754875 Relative adsorption of ion 1 on right wall = -0.296647348 Relative adsorption of ion 2 on left wall = -0.321348339 Relative adsorption of ion 2 on right wall = 0.404671013 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1015------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00778672863 Right electrode charge = -0.00778672863 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99865 Bulk concentration of Na = 0.99896 ________________________________________________________________________ Average electrode charge 1 = 0.00785758797 Average electrode charge 2 = -0.00785758797 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396361 -0.568954 -0.566566 ________________________________________________________________________ Electrode charge exchange: 0.0636534629 Move Jump Cl: 0.93414 0.36913 Na: 0.93445 0.36928 ________________________________________________________________________ Create NaCl : 1116444. / 3041625. = 0.36706 Destroy NaCl : 1116451. / 3045693. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.17741151 Potential at right wall /kT = -1.1844481 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4370755 Potential at right wall /mV = -30.6189775 ________________________________________________________________________ Capacitance of left DL = 0.0460487045 Capacitance of right DL = 0.0457751373 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64273338 Capacitance of right DL [F/m2] = 1.63297419 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46770431 Adsorption of ion 1 on right wall = -4.99696736 Adsorption of ion 2 on left wall = -5.42012045 Adsorption of ion 2 on right wall = 6.80006781 ------------------------------------------------------------------------ net charge in left DL = -11.8878248 11.6820778 net charge in right DL = 11.7970352 -11.6820778 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.553643317 Relative adsorption of ion 1 on right wall = -0.427746454 Relative adsorption of ion 2 on left wall = -0.463968871 Relative adsorption of ion 2 on right wall = 0.582094035 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1020------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00659258693 Right electrode charge = -0.00659258693 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99861 Bulk concentration of Na = 0.99895 ________________________________________________________________________ Average electrode charge 1 = 0.00785717117 Average electrode charge 2 = -0.00785717117 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396316 -0.568954 -0.566520 ________________________________________________________________________ Electrode charge exchange: 0.0636503004 Move Jump Cl: 0.93414 0.36911 Na: 0.93443 0.36928 ________________________________________________________________________ Create NaCl : 1121917. / 3056631. = 0.36704 Destroy NaCl : 1121924. / 3060585. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.17604611 Potential at right wall /kT = -1.18333746 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4017789 Potential at right wall /mV = -30.5902664 ________________________________________________________________________ Capacitance of left DL = 0.0390321225 Capacitance of right DL = 0.0387916189 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6446406 Capacitance of right DL [F/m2] = 1.63450685 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46302009 Adsorption of ion 1 on right wall = -4.99080335 Adsorption of ion 2 on left wall = -5.42788635 Adsorption of ion 2 on right wall = 6.80036732 ------------------------------------------------------------------------ net charge in left DL = -11.8909064 9.89056087 net charge in right DL = 11.7911707 -9.89056087 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.653453346 Relative adsorption of ion 1 on right wall = -0.504602663 Relative adsorption of ion 2 on left wall = -0.548794596 Relative adsorption of ion 2 on right wall = 0.687561343 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1025------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00533218934 Right electrode charge = -0.00533218934 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99854 Bulk concentration of Na = 0.99889 ________________________________________________________________________ Average electrode charge 1 = 0.00785109367 Average electrode charge 2 = -0.00785109367 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396169 -0.568954 -0.566374 ________________________________________________________________________ Electrode charge exchange: 0.0636629386 Move Jump Cl: 0.93412 0.36911 Na: 0.93445 0.36929 ________________________________________________________________________ Create NaCl : 1127511. / 3071604. = 0.36708 Destroy NaCl : 1127523. / 3075787. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.17568857 Potential at right wall /kT = -1.18295516 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3925361 Potential at right wall /mV = -30.5803836 ________________________________________________________________________ Capacitance of left DL = 0.0315794033 Capacitance of right DL = 0.0313854191 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64514076 Capacitance of right DL [F/m2] = 1.63503508 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46589714 Adsorption of ion 1 on right wall = -4.98692652 Adsorption of ion 2 on left wall = -5.41749067 Adsorption of ion 2 on right wall = 6.79388405 ------------------------------------------------------------------------ net charge in left DL = -11.8833878 7.99964321 net charge in right DL = 11.7808106 -7.99964321 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.80827319 Relative adsorption of ion 1 on right wall = -0.623393617 Relative adsorption of ion 2 on left wall = -0.677216537 Relative adsorption of ion 2 on right wall = 0.849273382 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1030------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00434790243 Right electrode charge = -0.00434790243 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 333 -1.00 3.0000 1.5000 Na ion: 333 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99860 Bulk concentration of Na = 0.99892 ________________________________________________________________________ Average electrode charge 1 = 0.00785160616 Average electrode charge 2 = -0.00785160616 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396264 -0.568954 -0.566469 ________________________________________________________________________ Electrode charge exchange: 0.0636597483 Move Jump Cl: 0.93410 0.36912 Na: 0.93444 0.36929 ________________________________________________________________________ Create NaCl : 1132974. / 3086514. = 0.36707 Destroy NaCl : 1132941. / 3090755. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.17448586 Potential at right wall /kT = -1.18172277 ------------------------------------------------------------------------ Potential at left wall /mV = 30.361445 Potential at right wall /mV = -30.5485252 ________________________________________________________________________ Capacitance of left DL = 0.025776423 Capacitance of right DL = 0.0256185673 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64682544 Capacitance of right DL [F/m2] = 1.63674022 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45129677 Adsorption of ion 1 on right wall = -4.99124628 Adsorption of ion 2 on left wall = -5.42790287 Adsorption of ion 2 on right wall = 6.79331088 ------------------------------------------------------------------------ net charge in left DL = -11.8791996 6.52296194 net charge in right DL = 11.7845572 -6.52296194 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.9890134 Relative adsorption of ion 1 on right wall = -0.765180959 Relative adsorption of ion 2 on left wall = -0.832122419 Relative adsorption of ion 2 on right wall = 1.04144573 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1035------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00634816965 Right electrode charge = -0.00634816965 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99887 ________________________________________________________________________ Average electrode charge 1 = 0.00785326994 Average electrode charge 2 = -0.00785326994 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396210 -0.568954 -0.566414 ________________________________________________________________________ Electrode charge exchange: 0.0636643926 Move Jump Cl: 0.93410 0.36912 Na: 0.93444 0.36931 ________________________________________________________________________ Create NaCl : 1138509. / 3101565. = 0.36708 Destroy NaCl : 1138515. / 3105865. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.16716429 Potential at right wall /kT = -1.17450163 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1721764 Potential at right wall /mV = -30.3618528 ________________________________________________________________________ Capacitance of left DL = 0.0378710359 Capacitance of right DL = 0.0376344482 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65715589 Capacitance of right DL [F/m2] = 1.64680332 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44930952 Adsorption of ion 1 on right wall = -4.98756295 Adsorption of ion 2 on left wall = -5.42126324 Adsorption of ion 2 on right wall = 6.7996585 ------------------------------------------------------------------------ net charge in left DL = -11.8705728 9.52387265 net charge in right DL = 11.7872214 -9.52387265 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.677173011 Relative adsorption of ion 1 on right wall = -0.523690639 Relative adsorption of ion 2 on left wall = -0.569228867 Relative adsorption of ion 2 on right wall = 0.713959411 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1040------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00815949621 Right electrode charge = -0.00815949621 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.0078500767 Average electrode charge 2 = -0.0078500767 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396219 -0.568954 -0.566424 ________________________________________________________________________ Electrode charge exchange: 0.0636706951 Move Jump Cl: 0.93407 0.36912 Na: 0.93445 0.36936 ________________________________________________________________________ Create NaCl : 1143941. / 3116469. = 0.36706 Destroy NaCl : 1143956. / 3120947. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.17374262 Potential at right wall /kT = -1.18087659 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3422317 Potential at right wall /mV = -30.5266508 ________________________________________________________________________ Capacitance of left DL = 0.0484039857 Capacitance of right DL = 0.0481115651 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64786824 Capacitance of right DL [F/m2] = 1.63791306 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44922364 Adsorption of ion 1 on right wall = -4.98515088 Adsorption of ion 2 on left wall = -5.42232547 Adsorption of ion 2 on right wall = 6.80104072 ------------------------------------------------------------------------ net charge in left DL = -11.8715491 12.2413242 net charge in right DL = 11.7861916 -12.2413242 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.526840359 Relative adsorption of ion 1 on right wall = -0.407239511 Relative adsorption of ion 2 on left wall = -0.442952525 Relative adsorption of ion 2 on right wall = 0.555580475 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1045------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00819872766 Right electrode charge = -0.00819872766 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 320 -1.00 3.0000 1.5000 Na ion: 320 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99877 Bulk concentration of Na = 0.99904 ________________________________________________________________________ Average electrode charge 1 = 0.0078503874 Average electrode charge 2 = -0.0078503874 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396559 -0.568954 -0.566764 ________________________________________________________________________ Electrode charge exchange: 0.0636744125 Move Jump Cl: 0.93405 0.36913 Na: 0.93443 0.36932 ________________________________________________________________________ Create NaCl : 1149512. / 3131745. = 0.36705 Destroy NaCl : 1149492. / 3135865. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.17003145 Potential at right wall /kT = -1.17725202 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2462948 Potential at right wall /mV = -30.4329526 ________________________________________________________________________ Capacitance of left DL = 0.0487909842 Capacitance of right DL = 0.0484917291 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65309504 Capacitance of right DL [F/m2] = 1.64295593 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4457934 Adsorption of ion 1 on right wall = -4.9894775 Adsorption of ion 2 on left wall = -5.42155618 Adsorption of ion 2 on right wall = 6.79682109 ------------------------------------------------------------------------ net charge in left DL = -11.8673496 12.3001814 net charge in right DL = 11.7862986 -12.3001814 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.524040516 Relative adsorption of ion 1 on right wall = -0.405642595 Relative adsorption of ion 2 on left wall = -0.440770426 Relative adsorption of ion 2 on right wall = 0.552578932 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1050------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00872157123 Right electrode charge = -0.00872157123 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99872 Bulk concentration of Na = 0.99895 ________________________________________________________________________ Average electrode charge 1 = 0.00784908807 Average electrode charge 2 = -0.00784908807 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396426 -0.568954 -0.566630 ________________________________________________________________________ Electrode charge exchange: 0.0636825274 Move Jump Cl: 0.93407 0.36914 Na: 0.93443 0.36929 ________________________________________________________________________ Create NaCl : 1154990. / 3146703. = 0.36705 Destroy NaCl : 1154991. / 3150894. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.17251812 Potential at right wall /kT = -1.17966448 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3105774 Potential at right wall /mV = -30.4953167 ________________________________________________________________________ Capacitance of left DL = 0.0517923744 Capacitance of right DL = 0.0514786184 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64958917 Capacitance of right DL [F/m2] = 1.63959602 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43832166 Adsorption of ion 1 on right wall = -4.98094794 Adsorption of ion 2 on left wall = -5.42216903 Adsorption of ion 2 on right wall = 6.81216216 ------------------------------------------------------------------------ net charge in left DL = -11.8604907 13.08458 net charge in right DL = 11.7931101 -13.08458 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.492054132 Relative adsorption of ion 1 on right wall = -0.380673124 Relative adsorption of ion 2 on left wall = -0.414393815 Relative adsorption of ion 2 on right wall = 0.520625206 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1055------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00952080276 Right electrode charge = -0.00952080276 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99879 Bulk concentration of Na = 0.99899 ________________________________________________________________________ Average electrode charge 1 = 0.00784899981 Average electrode charge 2 = -0.00784899981 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396533 -0.568954 -0.566738 ________________________________________________________________________ Electrode charge exchange: 0.0636760186 Move Jump Cl: 0.93408 0.36916 Na: 0.93443 0.36927 ________________________________________________________________________ Create NaCl : 1160522. / 3161777. = 0.36705 Destroy NaCl : 1160515. / 3165902. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.17139955 Potential at right wall /kT = -1.17810139 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2816615 Potential at right wall /mV = -30.4549095 ________________________________________________________________________ Capacitance of left DL = 0.0565925374 Capacitance of right DL = 0.056270601 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65116435 Capacitance of right DL [F/m2] = 1.64177142 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43095601 Adsorption of ion 1 on right wall = -4.98476105 Adsorption of ion 2 on left wall = -5.42443202 Adsorption of ion 2 on right wall = 6.81153338 ------------------------------------------------------------------------ net charge in left DL = -11.855388 14.283631 net charge in right DL = 11.7962944 -14.283631 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.450232577 Relative adsorption of ion 1 on right wall = -0.348984165 Relative adsorption of ion 2 on left wall = -0.379765622 Relative adsorption of ion 2 on right wall = 0.476876878 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1060------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00863848525 Right electrode charge = -0.00863848525 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99879 Bulk concentration of Na = 0.99899 ________________________________________________________________________ Average electrode charge 1 = 0.00785333208 Average electrode charge 2 = -0.00785333208 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396526 -0.568954 -0.566730 ________________________________________________________________________ Electrode charge exchange: 0.0636760706 Move Jump Cl: 0.93408 0.36915 Na: 0.93441 0.36927 ________________________________________________________________________ Create NaCl : 1166001. / 3176752. = 0.36704 Destroy NaCl : 1166001. / 3181014. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.17411948 Potential at right wall /kT = -1.18087621 ------------------------------------------------------------------------ Potential at left wall /mV = 30.351974 Potential at right wall /mV = -30.5266409 ________________________________________________________________________ Capacitance of left DL = 0.0512290088 Capacitance of right DL = 0.0509358873 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64733931 Capacitance of right DL [F/m2] = 1.63791359 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43958395 Adsorption of ion 1 on right wall = -4.9880151 Adsorption of ion 2 on left wall = -5.42420397 Adsorption of ion 2 on right wall = 6.81646175 ------------------------------------------------------------------------ net charge in left DL = -11.8637879 12.9599299 net charge in right DL = 11.8044769 -12.9599299 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.496884167 Relative adsorption of ion 1 on right wall = -0.384879792 Relative adsorption of ion 2 on left wall = -0.418536522 Relative adsorption of ion 2 on right wall = 0.525964402 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1065------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00827533401 Right electrode charge = -0.00827533401 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99871 Bulk concentration of Na = 0.99896 ________________________________________________________________________ Average electrode charge 1 = 0.00785101477 Average electrode charge 2 = -0.00785101477 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396422 -0.568954 -0.566626 ________________________________________________________________________ Electrode charge exchange: 0.0636644409 Move Jump Cl: 0.93407 0.36914 Na: 0.93442 0.36924 ________________________________________________________________________ Create NaCl : 1171401. / 3191787. = 0.36700 Destroy NaCl : 1171419. / 3195873. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.17299257 Potential at right wall /kT = -1.179833 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3228423 Potential at right wall /mV = -30.4996732 ________________________________________________________________________ Capacitance of left DL = 0.0491225524 Capacitance of right DL = 0.0488377497 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64892194 Capacitance of right DL [F/m2] = 1.63936183 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4380523 Adsorption of ion 1 on right wall = -4.97223017 Adsorption of ion 2 on left wall = -5.42782775 Adsorption of ion 2 on right wall = 6.8215627 ------------------------------------------------------------------------ net charge in left DL = -11.8658801 12.4151104 net charge in right DL = 11.7937929 -12.4151104 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.518565851 Relative adsorption of ion 1 on right wall = -0.400498263 Relative adsorption of ion 2 on left wall = -0.437195285 Relative adsorption of ion 2 on right wall = 0.549456466 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1070------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00803204933 Right electrode charge = -0.00803204933 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99877 Bulk concentration of Na = 0.99899 ________________________________________________________________________ Average electrode charge 1 = 0.00784739134 Average electrode charge 2 = -0.00784739134 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396503 -0.568954 -0.566707 ________________________________________________________________________ Electrode charge exchange: 0.0636706889 Move Jump Cl: 0.93408 0.36915 Na: 0.93442 0.36924 ________________________________________________________________________ Create NaCl : 1176904. / 3206748. = 0.36701 Destroy NaCl : 1176920. / 3210801. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.1702686 Potential at right wall /kT = -1.17705063 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2524254 Potential at right wall /mV = -30.4277465 ________________________________________________________________________ Capacitance of left DL = 0.0477893877 Capacitance of right DL = 0.0475140309 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65276004 Capacitance of right DL [F/m2] = 1.64323703 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.42831496 Adsorption of ion 1 on right wall = -4.99011643 Adsorption of ion 2 on left wall = -5.4266006 Adsorption of ion 2 on right wall = 6.80022206 ------------------------------------------------------------------------ net charge in left DL = -11.8549156 12.0501214 net charge in right DL = 11.7903385 -12.0501214 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533464747 Relative adsorption of ion 1 on right wall = -0.414113374 Relative adsorption of ion 2 on left wall = -0.450335762 Relative adsorption of ion 2 on right wall = 0.564328096 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1075------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0081620295 Right electrode charge = -0.0081620295 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99882 Bulk concentration of Na = 0.99907 ________________________________________________________________________ Average electrode charge 1 = 0.00784831606 Average electrode charge 2 = -0.00784831606 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396636 -0.568954 -0.566840 ________________________________________________________________________ Electrode charge exchange: 0.0636662481 Move Jump Cl: 0.93409 0.36914 Na: 0.93439 0.36923 ________________________________________________________________________ Create NaCl : 1182435. / 3222076. = 0.36698 Destroy NaCl : 1182434. / 3225491. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16764824 Potential at right wall /kT = -1.17426946 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1846869 Potential at right wall /mV = -30.3558509 ________________________________________________________________________ Capacitance of left DL = 0.04867173 Capacitance of right DL = 0.0483972905 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65646906 Capacitance of right DL [F/m2] = 1.64712892 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.42884351 Adsorption of ion 1 on right wall = -4.97556448 Adsorption of ion 2 on left wall = -5.43040782 Adsorption of ion 2 on right wall = 6.80940714 ------------------------------------------------------------------------ net charge in left DL = -11.8592513 12.2451248 net charge in right DL = 11.7849716 -12.2451248 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.525012494 Relative adsorption of ion 1 on right wall = -0.406330239 Relative adsorption of ion 2 on left wall = -0.44347509 Relative adsorption of ion 2 on right wall = 0.556091282 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1080------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00700992788 Right electrode charge = -0.00700992788 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99877 Bulk concentration of Na = 0.99901 ________________________________________________________________________ Average electrode charge 1 = 0.00784617707 Average electrode charge 2 = -0.00784617707 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396531 -0.568954 -0.566736 ________________________________________________________________________ Electrode charge exchange: 0.0636698196 Move Jump Cl: 0.93406 0.36918 Na: 0.93438 0.36924 ________________________________________________________________________ Create NaCl : 1187983. / 3236979. = 0.36700 Destroy NaCl : 1188000. / 3240663. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.1675943 Potential at right wall /kT = -1.17403987 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1832925 Potential at right wall /mV = -30.349916 ________________________________________________________________________ Capacitance of left DL = 0.0418034607 Capacitance of right DL = 0.0415739564 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65654559 Capacitance of right DL [F/m2] = 1.64745102 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.42473853 Adsorption of ion 1 on right wall = -4.97557513 Adsorption of ion 2 on left wall = -5.42951253 Adsorption of ion 2 on right wall = 6.80839634 ------------------------------------------------------------------------ net charge in left DL = -11.8542511 10.5166787 net charge in right DL = 11.7839715 -10.5166787 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.610909464 Relative adsorption of ion 1 on right wall = -0.473112784 Relative adsorption of ion 2 on left wall = -0.516276354 Relative adsorption of ion 2 on right wall = 0.647390355 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1085------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101719481 Right electrode charge = -0.0101719481 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99869 Bulk concentration of Na = 0.99891 ________________________________________________________________________ Average electrode charge 1 = 0.00784718558 Average electrode charge 2 = -0.00784718558 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396354 -0.568954 -0.566558 ________________________________________________________________________ Electrode charge exchange: 0.0636724689 Move Jump Cl: 0.93406 0.36920 Na: 0.93437 0.36928 ________________________________________________________________________ Create NaCl : 1193618. / 3252021. = 0.36704 Destroy NaCl : 1193613. / 3255719. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.16641772 Potential at right wall /kT = -1.17268585 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1528769 Potential at right wall /mV = -30.3149132 ________________________________________________________________________ Capacitance of left DL = 0.0607212467 Capacitance of right DL = 0.0603966855 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65821656 Capacitance of right DL [F/m2] = 1.64935323 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4480735 Adsorption of ion 1 on right wall = -4.97563779 Adsorption of ion 2 on left wall = -5.40354749 Adsorption of ion 2 on right wall = 6.81227071 ------------------------------------------------------------------------ net charge in left DL = -11.851621 15.260515 net charge in right DL = 11.7879085 -15.260515 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.422533151 Relative adsorption of ion 1 on right wall = -0.326046518 Relative adsorption of ion 2 on left wall = -0.354086836 Relative adsorption of ion 2 on right wall = 0.44639848 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1090------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00557252034 Right electrode charge = -0.00557252034 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99864 Bulk concentration of Na = 0.99884 ________________________________________________________________________ Average electrode charge 1 = 0.00784788883 Average electrode charge 2 = -0.00784788883 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396230 -0.568954 -0.566434 ________________________________________________________________________ Electrode charge exchange: 0.063656142 Move Jump Cl: 0.93407 0.36920 Na: 0.93440 0.36930 ________________________________________________________________________ Create NaCl : 1199134. / 3267133. = 0.36703 Destroy NaCl : 1199133. / 3270723. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.16774252 Potential at right wall /kT = -1.17351462 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1871241 Potential at right wall /mV = -30.3363378 ________________________________________________________________________ Capacitance of left DL = 0.0332273129 Capacitance of right DL = 0.0330638795 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65633533 Capacitance of right DL [F/m2] = 1.6481884 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45187027 Adsorption of ion 1 on right wall = -4.96942025 Adsorption of ion 2 on left wall = -5.39962583 Adsorption of ion 2 on right wall = 6.82182111 ------------------------------------------------------------------------ net charge in left DL = -11.8514961 8.36020096 net charge in right DL = 11.7912414 -8.36020096 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.771736265 Relative adsorption of ion 1 on right wall = -0.594413971 Relative adsorption of ion 2 on left wall = -0.645872731 Relative adsorption of ion 2 on right wall = 0.815987695 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1095------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0105653996 Right electrode charge = -0.0105653996 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99869 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.00785134741 Average electrode charge 2 = -0.00785134741 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396315 -0.568954 -0.566520 ________________________________________________________________________ Electrode charge exchange: 0.063650177 Move Jump Cl: 0.93408 0.36920 Na: 0.93438 0.36932 ________________________________________________________________________ Create NaCl : 1204662. / 3282045. = 0.36705 Destroy NaCl : 1204670. / 3285909. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.16793572 Potential at right wall /kT = -1.17391941 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1921186 Potential at right wall /mV = -30.346802 ________________________________________________________________________ Capacitance of left DL = 0.062987974 Capacitance of right DL = 0.0626669123 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65606133 Capacitance of right DL [F/m2] = 1.64762007 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45743086 Adsorption of ion 1 on right wall = -4.98469662 Adsorption of ion 2 on left wall = -5.39692988 Adsorption of ion 2 on right wall = 6.81373611 ------------------------------------------------------------------------ net charge in left DL = -11.8543607 15.8507926 net charge in right DL = 11.7984327 -15.8507926 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.407388514 Relative adsorption of ion 1 on right wall = -0.314476174 Relative adsorption of ion 2 on left wall = -0.340483281 Relative adsorption of ion 2 on right wall = 0.429867217 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00812676625 Right electrode charge = -0.00812676625 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99878 ________________________________________________________________________ Average electrode charge 1 = 0.00785094224 Average electrode charge 2 = -0.00785094224 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396118 -0.568954 -0.566322 ________________________________________________________________________ Electrode charge exchange: 0.0636356144 Move Jump Cl: 0.93409 0.36921 Na: 0.93438 0.36934 ________________________________________________________________________ Create NaCl : 1210208. / 3296961. = 0.36707 Destroy NaCl : 1210200. / 3300882. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.16694242 Potential at right wall /kT = -1.17256975 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1664408 Potential at right wall /mV = -30.3119122 ________________________________________________________________________ Capacitance of left DL = 0.0484907604 Capacitance of right DL = 0.0482580461 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65747097 Capacitance of right DL [F/m2] = 1.64951653 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46679474 Adsorption of ion 1 on right wall = -4.98764882 Adsorption of ion 2 on left wall = -5.38609233 Adsorption of ion 2 on right wall = 6.80947336 ------------------------------------------------------------------------ net charge in left DL = -11.8528871 12.1922209 net charge in right DL = 11.7971222 -12.1922209 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.530403343 Relative adsorption of ion 1 on right wall = -0.409084517 Relative adsorption of ion 2 on left wall = -0.441764659 Relative adsorption of ion 2 on right wall = 0.558509676 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103002547 Right electrode charge = -0.0103002547 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99860 Bulk concentration of Na = 0.99880 ________________________________________________________________________ Average electrode charge 1 = 0.00785224189 Average electrode charge 2 = -0.00785224189 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396152 -0.568954 -0.566357 ________________________________________________________________________ Electrode charge exchange: 0.0636300198 Move Jump Cl: 0.93410 0.36922 Na: 0.93438 0.36933 ________________________________________________________________________ Create NaCl : 1215728. / 3312036. = 0.36706 Destroy NaCl : 1215733. / 3315741. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.16447101 Potential at right wall /kT = -1.17024227 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1025529 Potential at right wall /mV = -30.2517447 ________________________________________________________________________ Capacitance of left DL = 0.0615899617 Capacitance of right DL = 0.0612862198 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66098869 Capacitance of right DL [F/m2] = 1.65279723 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46488216 Adsorption of ion 1 on right wall = -4.99245886 Adsorption of ion 2 on left wall = -5.39004746 Adsorption of ion 2 on right wall = 6.80303308 ------------------------------------------------------------------------ net charge in left DL = -11.8549296 15.4530076 net charge in right DL = 11.7954919 -15.4530076 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.418357535 Relative adsorption of ion 1 on right wall = -0.323073604 Relative adsorption of ion 2 on left wall = -0.348802485 Relative adsorption of ion 2 on right wall = 0.440240066 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0060374462 Right electrode charge = -0.0060374462 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99858 Bulk concentration of Na = 0.99882 ________________________________________________________________________ Average electrode charge 1 = 0.00785463596 Average electrode charge 2 = -0.00785463596 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396142 -0.568954 -0.566347 ________________________________________________________________________ Electrode charge exchange: 0.0636212197 Move Jump Cl: 0.93409 0.36922 Na: 0.93437 0.36931 ________________________________________________________________________ Create NaCl : 1221127. / 3326962. = 0.36704 Destroy NaCl : 1221125. / 3330643. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.16778918 Potential at right wall /kT = -1.17375528 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1883302 Potential at right wall /mV = -30.342559 ________________________________________________________________________ Capacitance of left DL = 0.0359980919 Capacitance of right DL = 0.0358151165 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65626915 Capacitance of right DL [F/m2] = 1.64785047 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46990913 Adsorption of ion 1 on right wall = -4.99212555 Adsorption of ion 2 on left wall = -5.39610687 Adsorption of ion 2 on right wall = 6.80396985 ------------------------------------------------------------------------ net charge in left DL = -11.866016 9.05770828 net charge in right DL = 11.7960954 -9.05770828 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.714298687 Relative adsorption of ion 1 on right wall = -0.551146648 Relative adsorption of ion 2 on left wall = -0.595747479 Relative adsorption of ion 2 on right wall = 0.751180061 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103663873 Right electrode charge = -0.0103663873 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99866 Bulk concentration of Na = 0.99889 ________________________________________________________________________ Average electrode charge 1 = 0.00785321222 Average electrode charge 2 = -0.00785321222 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396293 -0.568954 -0.566498 ________________________________________________________________________ Electrode charge exchange: 0.0636339438 Move Jump Cl: 0.93409 0.36923 Na: 0.93436 0.36930 ________________________________________________________________________ Create NaCl : 1226632. / 3342027. = 0.36703 Destroy NaCl : 1226638. / 3345662. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.16826725 Potential at right wall /kT = -1.17407002 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2006887 Potential at right wall /mV = -30.3506953 ________________________________________________________________________ Capacitance of left DL = 0.0617839799 Capacitance of right DL = 0.0614786161 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65559138 Capacitance of right DL [F/m2] = 1.64740872 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46198005 Adsorption of ion 1 on right wall = -4.99711382 Adsorption of ion 2 on left wall = -5.40140289 Adsorption of ion 2 on right wall = 6.79831818 ------------------------------------------------------------------------ net charge in left DL = -11.8633829 15.5522233 net charge in right DL = 11.795432 -15.5522233 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.415502009 Relative adsorption of ion 1 on right wall = -0.321311861 Relative adsorption of ion 2 on left wall = -0.347307441 Relative adsorption of ion 2 on right wall = 0.437128379 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00734945148 Right electrode charge = -0.00734945148 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99857 Bulk concentration of Na = 0.99881 ________________________________________________________________________ Average electrode charge 1 = 0.00785339166 Average electrode charge 2 = -0.00785339166 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396125 -0.568954 -0.566329 ________________________________________________________________________ Electrode charge exchange: 0.0636533214 Move Jump Cl: 0.93408 0.36924 Na: 0.93437 0.36932 ________________________________________________________________________ Create NaCl : 1232136. / 3357060. = 0.36703 Destroy NaCl : 1232152. / 3360695. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.1652143 Potential at right wall /kT = -1.17112412 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1217674 Potential at right wall /mV = -30.2745412 ________________________________________________________________________ Capacitance of left DL = 0.043917719 Capacitance of right DL = 0.0436960979 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65992916 Capacitance of right DL [F/m2] = 1.65155269 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48117118 Adsorption of ion 1 on right wall = -4.9903187 Adsorption of ion 2 on left wall = -5.381635 Adsorption of ion 2 on right wall = 6.80181381 ------------------------------------------------------------------------ net charge in left DL = -11.8628062 11.0260506 net charge in right DL = 11.7921325 -11.0260506 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.587805316 Relative adsorption of ion 1 on right wall = -0.452593487 Relative adsorption of ion 2 on left wall = -0.488083647 Relative adsorption of ion 2 on right wall = 0.616885777 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00794143654 Right electrode charge = -0.00794143654 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99860 Bulk concentration of Na = 0.99882 ________________________________________________________________________ Average electrode charge 1 = 0.00785136979 Average electrode charge 2 = -0.00785136979 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396168 -0.568954 -0.566372 ________________________________________________________________________ Electrode charge exchange: 0.0636673637 Move Jump Cl: 0.93408 0.36923 Na: 0.93438 0.36934 ________________________________________________________________________ Create NaCl : 1237654. / 3372078. = 0.36703 Destroy NaCl : 1237662. / 3375849. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.16660017 Potential at right wall /kT = -1.17246573 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1575935 Potential at right wall /mV = -30.309223 ________________________________________________________________________ Capacitance of left DL = 0.047398837 Capacitance of right DL = 0.0471617124 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65795722 Capacitance of right DL [F/m2] = 1.64966288 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47002735 Adsorption of ion 1 on right wall = -5.00310265 Adsorption of ion 2 on left wall = -5.3884919 Adsorption of ion 2 on right wall = 6.78941736 ------------------------------------------------------------------------ net charge in left DL = -11.8585193 11.9141791 net charge in right DL = 11.79252 -11.9141791 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.543052718 Relative adsorption of ion 1 on right wall = -0.41992844 Relative adsorption of ion 2 on left wall = -0.452275549 Relative adsorption of ion 2 on right wall = 0.569860272 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00951435119 Right electrode charge = -0.00951435119 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99867 Bulk concentration of Na = 0.99891 ________________________________________________________________________ Average electrode charge 1 = 0.00785279939 Average electrode charge 2 = -0.00785279939 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396323 -0.568954 -0.566528 ________________________________________________________________________ Electrode charge exchange: 0.0636642458 Move Jump Cl: 0.93409 0.36920 Na: 0.93436 0.36931 ________________________________________________________________________ Create NaCl : 1243074. / 3387065. = 0.36701 Destroy NaCl : 1243095. / 3390892. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.16870176 Potential at right wall /kT = -1.17479125 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2119212 Potential at right wall /mV = -30.3693397 ________________________________________________________________________ Capacitance of left DL = 0.0566847367 Capacitance of right DL = 0.0563909132 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65497585 Capacitance of right DL [F/m2] = 1.64639734 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46687983 Adsorption of ion 1 on right wall = -5.00253971 Adsorption of ion 2 on left wall = -5.39810747 Adsorption of ion 2 on right wall = 6.79089393 ------------------------------------------------------------------------ net charge in left DL = -11.8649873 14.273952 net charge in right DL = 11.7934336 -14.273952 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.453054614 Relative adsorption of ion 1 on right wall = -0.350466338 Relative adsorption of ion 2 on left wall = -0.378178899 Relative adsorption of ion 2 on right wall = 0.475754291 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00820611395 Right electrode charge = -0.00820611395 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99865 Bulk concentration of Na = 0.99886 ________________________________________________________________________ Average electrode charge 1 = 0.00784961751 Average electrode charge 2 = -0.00784961751 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396262 -0.568954 -0.566466 ________________________________________________________________________ Electrode charge exchange: 0.0636660173 Move Jump Cl: 0.93408 0.36922 Na: 0.93436 0.36931 ________________________________________________________________________ Create NaCl : 1248671. / 3402057. = 0.36703 Destroy NaCl : 1248690. / 3405945. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.17399819 Potential at right wall /kT = -1.18039423 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3488383 Potential at right wall /mV = -30.5141813 ________________________________________________________________________ Capacitance of left DL = 0.0486699355 Capacitance of right DL = 0.0484062144 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64750952 Capacitance of right DL [F/m2] = 1.63858239 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46074107 Adsorption of ion 1 on right wall = -5.01355034 Adsorption of ion 2 on left wall = -5.39885195 Adsorption of ion 2 on right wall = 6.78378219 ------------------------------------------------------------------------ net charge in left DL = -11.859593 12.3112627 net charge in right DL = 11.7973325 -12.3112627 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.524782975 Relative adsorption of ion 1 on right wall = -0.407232829 Relative adsorption of ion 2 on left wall = -0.438529506 Relative adsorption of ion 2 on right wall = 0.551022454 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00889751985 Right electrode charge = -0.00889751985 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99855 Bulk concentration of Na = 0.99878 ________________________________________________________________________ Average electrode charge 1 = 0.00785026254 Average electrode charge 2 = -0.00785026254 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396079 -0.568954 -0.566284 ________________________________________________________________________ Electrode charge exchange: 0.0636686657 Move Jump Cl: 0.93408 0.36924 Na: 0.93436 0.36934 ________________________________________________________________________ Create NaCl : 1254172. / 3417002. = 0.36704 Destroy NaCl : 1254196. / 3420843. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.17148529 Potential at right wall /kT = -1.177921 ------------------------------------------------------------------------ Potential at left wall /mV = 30.283878 Potential at right wall /mV = -30.4502463 ________________________________________________________________________ Capacitance of left DL = 0.052883815 Capacitance of right DL = 0.0525948783 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6510435 Capacitance of right DL [F/m2] = 1.64202284 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46625052 Adsorption of ion 1 on right wall = -5.01749882 Adsorption of ion 2 on left wall = -5.3939799 Adsorption of ion 2 on right wall = 6.77728537 ------------------------------------------------------------------------ net charge in left DL = -11.8602304 13.3485478 net charge in right DL = 11.7947842 -13.3485478 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.484416029 Relative adsorption of ion 1 on right wall = -0.375883497 Relative adsorption of ion 2 on left wall = -0.404087395 Relative adsorption of ion 2 on right wall = 0.507717055 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00659711795 Right electrode charge = -0.00659711795 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99851 Bulk concentration of Na = 0.99873 ________________________________________________________________________ Average electrode charge 1 = 0.00784991206 Average electrode charge 2 = -0.00784991206 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395994 -0.568954 -0.566199 ________________________________________________________________________ Electrode charge exchange: 0.0636823841 Move Jump Cl: 0.93411 0.36928 Na: 0.93438 0.36935 ________________________________________________________________________ Create NaCl : 1259676. / 3431888. = 0.36705 Destroy NaCl : 1259686. / 3435871. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.17128852 Potential at right wall /kT = -1.17792698 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2787911 Potential at right wall /mV = -30.4504009 ________________________________________________________________________ Capacitance of left DL = 0.0392176003 Capacitance of right DL = 0.038996581 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65132088 Capacitance of right DL [F/m2] = 1.6420145 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46866161 Adsorption of ion 1 on right wall = -5.0291175 Adsorption of ion 2 on left wall = -5.3904264 Adsorption of ion 2 on right wall = 6.76548969 ------------------------------------------------------------------------ net charge in left DL = -11.859088 9.89735856 net charge in right DL = 11.7946072 -9.89735856 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.653574544 Relative adsorption of ion 1 on right wall = -0.508127242 Relative adsorption of ion 2 on left wall = -0.54463283 Relative adsorption of ion 2 on right wall = 0.68356518 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00921373173 Right electrode charge = -0.00921373173 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99847 Bulk concentration of Na = 0.99871 ________________________________________________________________________ Average electrode charge 1 = 0.00785096432 Average electrode charge 2 = -0.00785096432 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395923 -0.568954 -0.566128 ________________________________________________________________________ Electrode charge exchange: 0.0636893298 Move Jump Cl: 0.93412 0.36929 Na: 0.93437 0.36936 ________________________________________________________________________ Create NaCl : 1265194. / 3446805. = 0.36706 Destroy NaCl : 1265194. / 3450899. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.17110101 Potential at right wall /kT = -1.17751804 ------------------------------------------------------------------------ Potential at left wall /mV = 30.273944 Potential at right wall /mV = -30.4398296 ________________________________________________________________________ Capacitance of left DL = 0.0547812401 Capacitance of right DL = 0.0544827029 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65158527 Capacitance of right DL [F/m2] = 1.64258475 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46422029 Adsorption of ion 1 on right wall = -5.03419116 Adsorption of ion 2 on left wall = -5.39944677 Adsorption of ion 2 on right wall = 6.75851787 ------------------------------------------------------------------------ net charge in left DL = -11.8636671 13.8229462 net charge in right DL = 11.792709 -13.8229462 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.467644176 Relative adsorption of ion 1 on right wall = -0.364190895 Relative adsorption of ion 2 on left wall = -0.390614757 Relative adsorption of ion 2 on right wall = 0.488934686 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00482013284 Right electrode charge = -0.00482013284 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99863 ________________________________________________________________________ Average electrode charge 1 = 0.00785282344 Average electrode charge 2 = -0.00785282344 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395804 -0.568954 -0.566009 ________________________________________________________________________ Electrode charge exchange: 0.0636900073 Move Jump Cl: 0.93413 0.36929 Na: 0.93436 0.36939 ________________________________________________________________________ Create NaCl : 1270692. / 3461969. = 0.36704 Destroy NaCl : 1270683. / 3465777. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.16841515 Potential at right wall /kT = -1.17500999 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2045121 Potential at right wall /mV = -30.3749943 ________________________________________________________________________ Capacitance of left DL = 0.0287245002 Capacitance of right DL = 0.0285632815 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65538181 Capacitance of right DL [F/m2] = 1.64609084 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46725373 Adsorption of ion 1 on right wall = -5.02299266 Adsorption of ion 2 on left wall = -5.39269881 Adsorption of ion 2 on right wall = 6.77512882 ------------------------------------------------------------------------ net charge in left DL = -11.8599525 7.23142793 net charge in right DL = 11.7981215 -7.23142793 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.894325961 Relative adsorption of ion 1 on right wall = -0.694605922 Relative adsorption of ion 2 on left wall = -0.745730839 Relative adsorption of ion 2 on right wall = 0.936900552 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00939080009 Right electrode charge = -0.00939080009 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99846 Bulk concentration of Na = 0.99868 ________________________________________________________________________ Average electrode charge 1 = 0.00785212702 Average electrode charge 2 = -0.00785212702 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395886 -0.568954 -0.566091 ________________________________________________________________________ Electrode charge exchange: 0.0636945652 Move Jump Cl: 0.93410 0.36926 Na: 0.93436 0.36939 ________________________________________________________________________ Create NaCl : 1276274. / 3477126. = 0.36705 Destroy NaCl : 1276269. / 3480668. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.16742255 Potential at right wall /kT = -1.17373249 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1788527 Potential at right wall /mV = -30.34197 ________________________________________________________________________ Capacitance of left DL = 0.056009948 Capacitance of right DL = 0.0557088406 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65678929 Capacitance of right DL [F/m2] = 1.64788246 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46756562 Adsorption of ion 1 on right wall = -5.02084753 Adsorption of ion 2 on left wall = -5.3913386 Adsorption of ion 2 on right wall = 6.77473015 ------------------------------------------------------------------------ net charge in left DL = -11.8589042 14.0885939 net charge in right DL = 11.7955777 -14.0885939 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.459063954 Relative adsorption of ion 1 on right wall = -0.356376766 Relative adsorption of ion 2 on left wall = -0.382674001 Relative adsorption of ion 2 on right wall = 0.48086631 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0085092228 Right electrode charge = -0.0085092228 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99850 Bulk concentration of Na = 0.99871 ________________________________________________________________________ Average electrode charge 1 = 0.00785524463 Average electrode charge 2 = -0.00785524463 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395953 -0.568954 -0.566157 ________________________________________________________________________ Electrode charge exchange: 0.0636833389 Move Jump Cl: 0.93410 0.36925 Na: 0.93436 0.36943 ________________________________________________________________________ Create NaCl : 1281779. / 3492007. = 0.36706 Destroy NaCl : 1281774. / 3495639. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.1676351 Potential at right wall /kT = -1.17405546 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1843471 Potential at right wall /mV = -30.350319 ________________________________________________________________________ Capacitance of left DL = 0.0507426807 Capacitance of right DL = 0.0504651924 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65648771 Capacitance of right DL [F/m2] = 1.64742914 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47688919 Adsorption of ion 1 on right wall = -5.0410043 Adsorption of ion 2 on left wall = -5.38620021 Adsorption of ion 2 on right wall = 6.75990387 ------------------------------------------------------------------------ net charge in left DL = -11.8630894 12.7660032 net charge in right DL = 11.8009082 -12.7660032 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5073545 Relative adsorption of ion 1 on right wall = -0.394877254 Relative adsorption of ion 2 on left wall = -0.421917503 Relative adsorption of ion 2 on right wall = 0.529523904 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0113294522 Right electrode charge = -0.0113294522 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99853 Bulk concentration of Na = 0.99868 ________________________________________________________________________ Average electrode charge 1 = 0.00785607557 Average electrode charge 2 = -0.00785607557 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395958 -0.568954 -0.566162 ________________________________________________________________________ Electrode charge exchange: 0.0636860596 Move Jump Cl: 0.93409 0.36921 Na: 0.93437 0.36943 ________________________________________________________________________ Create NaCl : 1287325. / 3506912. = 0.36708 Destroy NaCl : 1287326. / 3510808. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.17102406 Potential at right wall /kT = -1.17781923 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2719547 Potential at right wall /mV = -30.4476155 ________________________________________________________________________ Capacitance of left DL = 0.0673649117 Capacitance of right DL = 0.0669762648 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6516938 Capacitance of right DL [F/m2] = 1.64216472 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48351427 Adsorption of ion 1 on right wall = -5.05858651 Adsorption of ion 2 on left wall = -5.37538881 Adsorption of ion 2 on right wall = 6.75397123 ------------------------------------------------------------------------ net charge in left DL = -11.8589031 16.9970662 net charge in right DL = 11.8125577 -16.9970662 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.381449021 Relative adsorption of ion 1 on right wall = -0.297615274 Relative adsorption of ion 2 on left wall = -0.31625392 Relative adsorption of ion 2 on right wall = 0.397361 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00589587217 Right electrode charge = -0.00589587217 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99844 Bulk concentration of Na = 0.99858 ________________________________________________________________________ Average electrode charge 1 = 0.00785786451 Average electrode charge 2 = -0.00785786451 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395770 -0.568954 -0.565975 ________________________________________________________________________ Electrode charge exchange: 0.0636914042 Move Jump Cl: 0.93410 0.36922 Na: 0.93435 0.36945 ________________________________________________________________________ Create NaCl : 1292837. / 3521749. = 0.36710 Destroy NaCl : 1292832. / 3526079. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.17151799 Potential at right wall /kT = -1.17829164 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2847233 Potential at right wall /mV = -30.4598278 ________________________________________________________________________ Capacitance of left DL = 0.0350420696 Capacitance of right DL = 0.0348406232 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65099742 Capacitance of right DL [F/m2] = 1.64150633 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49543597 Adsorption of ion 1 on right wall = -5.0606019 Adsorption of ion 2 on left wall = -5.36403231 Adsorption of ion 2 on right wall = 6.75718712 ------------------------------------------------------------------------ net charge in left DL = -11.8594683 8.84531113 net charge in right DL = 11.817789 -8.84531113 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.73433663 Relative adsorption of ion 1 on right wall = -0.572122543 Relative adsorption of ion 2 on left wall = -0.60642664 Relative adsorption of ion 2 on right wall = 0.76392871 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00884215775 Right electrode charge = -0.00884215775 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99848 ________________________________________________________________________ Average electrode charge 1 = 0.00785787016 Average electrode charge 2 = -0.00785787016 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395557 -0.568954 -0.565762 ________________________________________________________________________ Electrode charge exchange: 0.0636973541 Move Jump Cl: 0.93410 0.36920 Na: 0.93435 0.36944 ________________________________________________________________________ Create NaCl : 1298373. / 3536836. = 0.36710 Destroy NaCl : 1298386. / 3541185. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.16944303 Potential at right wall /kT = -1.17607411 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2310837 Potential at right wall /mV = -30.4025026 ________________________________________________________________________ Capacitance of left DL = 0.052646541 Capacitance of right DL = 0.0523497031 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65392682 Capacitance of right DL [F/m2] = 1.64460145 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50255837 Adsorption of ion 1 on right wall = -5.04476027 Adsorption of ion 2 on left wall = -5.35560271 Adsorption of ion 2 on right wall = 6.77119362 ------------------------------------------------------------------------ net charge in left DL = -11.8581611 13.2654905 net charge in right DL = 11.8159539 -13.2654905 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490186048 Relative adsorption of ion 1 on right wall = -0.380292026 Relative adsorption of ion 2 on left wall = -0.403724438 Relative adsorption of ion 2 on right wall = 0.510436731 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00737180532 Right electrode charge = -0.00737180532 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 324 -1.00 3.0000 1.5000 Na ion: 324 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99829 Bulk concentration of Na = 0.99843 ________________________________________________________________________ Average electrode charge 1 = 0.00785628993 Average electrode charge 2 = -0.00785628993 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395474 -0.568954 -0.565678 ________________________________________________________________________ Electrode charge exchange: 0.0637116173 Move Jump Cl: 0.93411 0.36920 Na: 0.93433 0.36945 ________________________________________________________________________ Create NaCl : 1303908. / 3551872. = 0.36710 Destroy NaCl : 1303884. / 3556138. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.17120076 Potential at right wall /kT = -1.17780254 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2765225 Potential at right wall /mV = -30.4471842 ________________________________________________________________________ Capacitance of left DL = 0.0438261342 Capacitance of right DL = 0.0435804813 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65144461 Capacitance of right DL [F/m2] = 1.64218799 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49337242 Adsorption of ion 1 on right wall = -5.03031049 Adsorption of ion 2 on left wall = -5.36339593 Adsorption of ion 2 on right wall = 6.78518388 ------------------------------------------------------------------------ net charge in left DL = -11.8567684 11.0595871 net charge in right DL = 11.8154944 -11.0595871 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.587126118 Relative adsorption of ion 1 on right wall = -0.454837098 Relative adsorption of ion 2 on left wall = -0.484954447 Relative adsorption of ion 2 on right wall = 0.613511502 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00772416974 Right electrode charge = -0.00772416974 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99837 Bulk concentration of Na = 0.99850 ________________________________________________________________________ Average electrode charge 1 = 0.00785628153 Average electrode charge 2 = -0.00785628153 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395622 -0.568954 -0.565827 ________________________________________________________________________ Electrode charge exchange: 0.0637141512 Move Jump Cl: 0.93410 0.36916 Na: 0.93433 0.36945 ________________________________________________________________________ Create NaCl : 1309321. / 3566936. = 0.36707 Destroy NaCl : 1309319. / 3571072. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.1734895 Potential at right wall /kT = -1.17961964 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3356882 Potential at right wall /mV = -30.4941577 ________________________________________________________________________ Capacitance of left DL = 0.0458314139 Capacitance of right DL = 0.045593241 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64822369 Capacitance of right DL [F/m2] = 1.63965834 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50127282 Adsorption of ion 1 on right wall = -5.03356962 Adsorption of ion 2 on left wall = -5.35530001 Adsorption of ion 2 on right wall = 6.78519999 ------------------------------------------------------------------------ net charge in left DL = -11.8565728 11.5882235 net charge in right DL = 11.8187696 -11.5882235 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.561024112 Relative adsorption of ion 1 on right wall = -0.434369393 Relative adsorption of ion 2 on left wall = -0.462132958 Relative adsorption of ion 2 on right wall = 0.585525467 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00339080462 Right electrode charge = -0.00339080462 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 317 -1.00 3.0000 1.5000 Na ion: 317 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99826 Bulk concentration of Na = 0.99841 ________________________________________________________________________ Average electrode charge 1 = 0.00785581596 Average electrode charge 2 = -0.00785581596 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395424 -0.568954 -0.565629 ________________________________________________________________________ Electrode charge exchange: 0.063706172 Move Jump Cl: 0.93409 0.36915 Na: 0.93434 0.36946 ________________________________________________________________________ Create NaCl : 1314882. / 3582009. = 0.36708 Destroy NaCl : 1314865. / 3586119. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.17697091 Potential at right wall /kT = -1.1838193 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4256857 Potential at right wall /mV = -30.6027223 ________________________________________________________________________ Capacitance of left DL = 0.0200598504 Capacitance of right DL = 0.0199438043 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64334834 Capacitance of right DL [F/m2] = 1.63384158 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50987446 Adsorption of ion 1 on right wall = -5.03358998 Adsorption of ion 2 on left wall = -5.35219613 Adsorption of ion 2 on right wall = 6.78392089 ------------------------------------------------------------------------ net charge in left DL = -11.8620706 5.08707126 net charge in right DL = 11.8175109 -5.08707126 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.27969005 Relative adsorption of ion 1 on right wall = -0.989486822 Relative adsorption of ion 2 on left wall = -1.05211739 Relative adsorption of ion 2 on right wall = 1.33356121 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00516843057 Right electrode charge = -0.00516843057 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 268 -1.00 3.0000 1.5000 Na ion: 268 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99825 Bulk concentration of Na = 0.99841 ________________________________________________________________________ Average electrode charge 1 = 0.00785374548 Average electrode charge 2 = -0.00785374548 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395413 -0.568954 -0.565618 ________________________________________________________________________ Electrode charge exchange: 0.063706829 Move Jump Cl: 0.93408 0.36918 Na: 0.93435 0.36948 ________________________________________________________________________ Create NaCl : 1320375. / 3596818. = 0.36710 Destroy NaCl : 1320407. / 3601176. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.17705334 Potential at right wall /kT = -1.18435751 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4278165 Potential at right wall /mV = -30.6166355 ________________________________________________________________________ Capacitance of left DL = 0.0305740658 Capacitance of right DL = 0.0303855094 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64323326 Capacitance of right DL [F/m2] = 1.6330991 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50724603 Adsorption of ion 1 on right wall = -5.03386417 Adsorption of ion 2 on left wall = -5.35367096 Adsorption of ion 2 on right wall = 6.77925272 ------------------------------------------------------------------------ net charge in left DL = -11.860917 7.75396331 net charge in right DL = 11.8131169 -7.75396331 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.83921548 Relative adsorption of ion 1 on right wall = -0.649198864 Relative adsorption of ion 2 on left wall = -0.690443164 Relative adsorption of ion 2 on right wall = 0.874295177 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1205------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00453633086 Right electrode charge = -0.00453633086 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99844 ________________________________________________________________________ Average electrode charge 1 = 0.00785256396 Average electrode charge 2 = -0.00785256396 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395455 -0.568954 -0.565659 ________________________________________________________________________ Electrode charge exchange: 0.0636928943 Move Jump Cl: 0.93406 0.36916 Na: 0.93435 0.36947 ________________________________________________________________________ Create NaCl : 1325797. / 3611888. = 0.36706 Destroy NaCl : 1325791. / 3616118. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.18204086 Potential at right wall /kT = -1.18925993 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5567482 Potential at right wall /mV = -30.7433673 ________________________________________________________________________ Capacitance of left DL = 0.0267216262 Capacitance of right DL = 0.0265594201 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63629977 Capacitance of right DL [F/m2] = 1.62636707 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5153687 Adsorption of ion 1 on right wall = -5.03361345 Adsorption of ion 2 on left wall = -5.34794238 Adsorption of ion 2 on right wall = 6.78071183 ------------------------------------------------------------------------ net charge in left DL = -11.8633111 6.80565262 net charge in right DL = 11.8143253 -6.80565262 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.957346646 Relative adsorption of ion 1 on right wall = -0.739622449 Relative adsorption of ion 2 on left wall = -0.785808898 Relative adsorption of ion 2 on right wall = 0.996335284 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1210------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00852802825 Right electrode charge = -0.00852802825 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99840 Bulk concentration of Na = 0.99855 ________________________________________________________________________ Average electrode charge 1 = 0.00785685363 Average electrode charge 2 = -0.00785685363 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395702 -0.568954 -0.565906 ________________________________________________________________________ Electrode charge exchange: 0.06369237 Move Jump Cl: 0.93407 0.36913 Na: 0.93434 0.36945 ________________________________________________________________________ Create NaCl : 1331169. / 3627075. = 0.36701 Destroy NaCl : 1331170. / 3630986. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.18422069 Potential at right wall /kT = -1.19157241 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6130987 Potential at right wall /mV = -30.8031469 ________________________________________________________________________ Capacitance of left DL = 0.0501425756 Capacitance of right DL = 0.0498332077 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63328778 Capacitance of right DL [F/m2] = 1.62321078 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52345613 Adsorption of ion 1 on right wall = -5.04046728 Adsorption of ion 2 on left wall = -5.3449608 Adsorption of ion 2 on right wall = 6.78426247 ------------------------------------------------------------------------ net charge in left DL = -11.8684169 12.7942162 net charge in right DL = 11.8247298 -12.7942162 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.509875402 Relative adsorption of ion 1 on right wall = -0.393964523 Relative adsorption of ion 2 on left wall = -0.417763833 Relative adsorption of ion 2 on right wall = 0.530260108 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1215------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00646755403 Right electrode charge = -0.00646755403 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99845 Bulk concentration of Na = 0.99859 ________________________________________________________________________ Average electrode charge 1 = 0.00785641552 Average electrode charge 2 = -0.00785641552 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395792 -0.568954 -0.565997 ________________________________________________________________________ Electrode charge exchange: 0.0636973265 Move Jump Cl: 0.93408 0.36912 Na: 0.93434 0.36946 ________________________________________________________________________ Create NaCl : 1336744. / 3641963. = 0.36704 Destroy NaCl : 1336756. / 3646055. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.18374757 Potential at right wall /kT = -1.19156627 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6008681 Potential at right wall /mV = -30.8029881 ________________________________________________________________________ Capacitance of left DL = 0.038042725 Capacitance of right DL = 0.0377931 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63394057 Capacitance of right DL [F/m2] = 1.62321915 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50740548 Adsorption of ion 1 on right wall = -5.04739116 Adsorption of ion 2 on left wall = -5.35898484 Adsorption of ion 2 on right wall = 6.77783415 ------------------------------------------------------------------------ net charge in left DL = -11.8663903 9.70297966 net charge in right DL = 11.8252253 -9.70297966 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.67066053 Relative adsorption of ion 1 on right wall = -0.520189811 Relative adsorption of ion 2 on left wall = -0.552303007 Relative adsorption of ion 2 on right wall = 0.698531213 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1220------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00737360778 Right electrode charge = -0.00737360778 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99841 Bulk concentration of Na = 0.99856 ________________________________________________________________________ Average electrode charge 1 = 0.00785823981 Average electrode charge 2 = -0.00785823981 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395710 -0.568954 -0.565915 ________________________________________________________________________ Electrode charge exchange: 0.0637023032 Move Jump Cl: 0.93410 0.36912 Na: 0.93434 0.36944 ________________________________________________________________________ Create NaCl : 1342170. / 3656907. = 0.36702 Destroy NaCl : 1342166. / 3661069. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.18232412 Potential at right wall /kT = -1.18912235 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5640708 Potential at right wall /mV = -30.7398106 ________________________________________________________________________ Capacitance of left DL = 0.0434244308 Capacitance of right DL = 0.043176173 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63590774 Capacitance of right DL [F/m2] = 1.62655524 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51829471 Adsorption of ion 1 on right wall = -5.04484272 Adsorption of ion 2 on left wall = -5.35053903 Adsorption of ion 2 on right wall = 6.78043282 ------------------------------------------------------------------------ net charge in left DL = -11.8688337 11.0622912 net charge in right DL = 11.8252755 -11.0622912 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5892355 Relative adsorption of ion 1 on right wall = -0.456039587 Relative adsorption of ion 2 on left wall = -0.483673673 Relative adsorption of ion 2 on right wall = 0.612932048 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1225------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00613709948 Right electrode charge = -0.00613709948 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99832 Bulk concentration of Na = 0.99846 ________________________________________________________________________ Average electrode charge 1 = 0.00785786383 Average electrode charge 2 = -0.00785786383 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395531 -0.568954 -0.565736 ________________________________________________________________________ Electrode charge exchange: 0.0636976206 Move Jump Cl: 0.93411 0.36914 Na: 0.93435 0.36945 ________________________________________________________________________ Create NaCl : 1347662. / 3671891. = 0.36702 Destroy NaCl : 1347651. / 3676126. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.18195731 Potential at right wall /kT = -1.18939334 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5545885 Potential at right wall /mV = -30.7468159 ________________________________________________________________________ Capacitance of left DL = 0.0361536395 Capacitance of right DL = 0.0359276089 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63641543 Capacitance of right DL [F/m2] = 1.62618465 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52868139 Adsorption of ion 1 on right wall = -5.04525888 Adsorption of ion 2 on left wall = -5.33809345 Adsorption of ion 2 on right wall = 6.78062655 ------------------------------------------------------------------------ net charge in left DL = -11.8667748 9.20721359 net charge in right DL = 11.8258854 -9.20721359 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.7090833 Relative adsorption of ion 1 on right wall = -0.54796805 Relative adsorption of ion 2 on left wall = -0.579772957 Relative adsorption of ion 2 on right wall = 0.736447188 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1230------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00801106638 Right electrode charge = -0.00801106638 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99834 Bulk concentration of Na = 0.99848 ________________________________________________________________________ Average electrode charge 1 = 0.00785642457 Average electrode charge 2 = -0.00785642457 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395568 -0.568954 -0.565773 ________________________________________________________________________ Electrode charge exchange: 0.0636970164 Move Jump Cl: 0.93412 0.36917 Na: 0.93435 0.36947 ________________________________________________________________________ Create NaCl : 1353225. / 3686924. = 0.36703 Destroy NaCl : 1353223. / 3691016. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.1821868 Potential at right wall /kT = -1.18937541 ------------------------------------------------------------------------ Potential at left wall /mV = 30.560521 Potential at right wall /mV = -30.7463526 ________________________________________________________________________ Capacitance of left DL = 0.0471840131 Capacitance of right DL = 0.0468988319 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63609776 Capacitance of right DL [F/m2] = 1.62620915 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51840238 Adsorption of ion 1 on right wall = -5.04606747 Adsorption of ion 2 on left wall = -5.34698729 Adsorption of ion 2 on right wall = 6.77730356 ------------------------------------------------------------------------ net charge in left DL = -11.8653897 12.0186416 net charge in right DL = 11.823371 -12.0186416 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.542357663 Relative adsorption of ion 1 on right wall = -0.419853393 Relative adsorption of ion 2 on left wall = -0.44489115 Relative adsorption of ion 2 on right wall = 0.563899297 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1235------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0041871556 Right electrode charge = -0.0041871556 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99834 Bulk concentration of Na = 0.99850 ________________________________________________________________________ Average electrode charge 1 = 0.00785655745 Average electrode charge 2 = -0.00785655745 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395587 -0.568954 -0.565792 ________________________________________________________________________ Electrode charge exchange: 0.0636947263 Move Jump Cl: 0.93414 0.36918 Na: 0.93436 0.36945 ________________________________________________________________________ Create NaCl : 1358717. / 3701904. = 0.36703 Destroy NaCl : 1358743. / 3706279. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.18260593 Potential at right wall /kT = -1.19031694 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5713558 Potential at right wall /mV = -30.7706919 ________________________________________________________________________ Capacitance of left DL = 0.0246529957 Capacitance of right DL = 0.0244932908 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63551791 Capacitance of right DL [F/m2] = 1.62492284 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5245969 Adsorption of ion 1 on right wall = -5.05602139 Adsorption of ion 2 on left wall = -5.34466962 Adsorption of ion 2 on right wall = 6.76516445 ------------------------------------------------------------------------ net charge in left DL = -11.8692665 6.28180073 net charge in right DL = 11.8211858 -6.28180073 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.03865073 Relative adsorption of ion 1 on right wall = -0.804868159 Relative adsorption of ion 2 on left wall = -0.850818078 Relative adsorption of ion 2 on right wall = 1.07694668 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1240------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00771734178 Right electrode charge = -0.00771734178 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99832 Bulk concentration of Na = 0.99851 ________________________________________________________________________ Average electrode charge 1 = 0.00785764453 Average electrode charge 2 = -0.00785764453 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395576 -0.568954 -0.565780 ________________________________________________________________________ Electrode charge exchange: 0.0637029525 Move Jump Cl: 0.93415 0.36916 Na: 0.93437 0.36945 ________________________________________________________________________ Create NaCl : 1364261. / 3717044. = 0.36703 Destroy NaCl : 1364258. / 3721298. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.18130022 Potential at right wall /kT = -1.18951827 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5376021 Potential at right wall /mV = -30.7500455 ________________________________________________________________________ Capacitance of left DL = 0.0454881319 Capacitance of right DL = 0.0451738671 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63732568 Capacitance of right DL [F/m2] = 1.62601385 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52866173 Adsorption of ion 1 on right wall = -5.04311784 Adsorption of ion 2 on left wall = -5.3438102 Adsorption of ion 2 on right wall = 6.77624759 ------------------------------------------------------------------------ net charge in left DL = -11.8724719 11.5779798 net charge in right DL = 11.8193654 -11.5779798 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.563886085 Relative adsorption of ion 1 on right wall = -0.435578391 Relative adsorption of ion 2 on left wall = -0.461549447 Relative adsorption of ion 2 on right wall = 0.585270287 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1245------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00585333676 Right electrode charge = -0.00585333676 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 327 -1.00 3.0000 1.5000 Na ion: 327 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99826 Bulk concentration of Na = 0.99845 ________________________________________________________________________ Average electrode charge 1 = 0.00786137699 Average electrode charge 2 = -0.00786137699 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395462 -0.568954 -0.565666 ________________________________________________________________________ Electrode charge exchange: 0.0636933985 Move Jump Cl: 0.93414 0.36916 Na: 0.93437 0.36943 ________________________________________________________________________ Create NaCl : 1369769. / 3732096. = 0.36702 Destroy NaCl : 1369742. / 3736317. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.18139724 Potential at right wall /kT = -1.18995421 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5401101 Potential at right wall /mV = -30.761315 ________________________________________________________________________ Capacitance of left DL = 0.0344983411 Capacitance of right DL = 0.0342502632 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63719122 Capacitance of right DL [F/m2] = 1.62541816 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55077166 Adsorption of ion 1 on right wall = -5.04538363 Adsorption of ion 2 on left wall = -5.32891049 Adsorption of ion 2 on right wall = 6.77784172 ------------------------------------------------------------------------ net charge in left DL = -11.8796821 8.78149718 net charge in right DL = 11.8232254 -8.78149718 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.74597435 Relative adsorption of ion 1 on right wall = -0.574547088 Relative adsorption of ion 2 on left wall = -0.606833935 Relative adsorption of ion 2 on right wall = 0.771832135 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1250------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00624089966 Right electrode charge = -0.00624089966 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 270 -1.00 3.0000 1.5000 Na ion: 270 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99825 Bulk concentration of Na = 0.99843 ________________________________________________________________________ Average electrode charge 1 = 0.00785970843 Average electrode charge 2 = -0.00785970843 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395418 -0.568954 -0.565622 ________________________________________________________________________ Electrode charge exchange: 0.0636913693 Move Jump Cl: 0.93414 0.36915 Na: 0.93436 0.36943 ________________________________________________________________________ Create NaCl : 1375351. / 3747184. = 0.36704 Destroy NaCl : 1375381. / 3751334. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.18425866 Potential at right wall /kT = -1.19300018 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6140801 Potential at right wall /mV = -30.8400557 ________________________________________________________________________ Capacitance of left DL = 0.0366936814 Capacitance of right DL = 0.0364248142 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63323542 Capacitance of right DL [F/m2] = 1.62126815 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54929527 Adsorption of ion 1 on right wall = -5.04522473 Adsorption of ion 2 on left wall = -5.3280602 Adsorption of ion 2 on right wall = 6.77962207 ------------------------------------------------------------------------ net charge in left DL = -11.8773555 9.36294032 net charge in right DL = 11.8248468 -9.36294032 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.699491297 Relative adsorption of ion 1 on right wall = -0.538850463 Relative adsorption of ion 2 on left wall = -0.569058438 Relative adsorption of ion 2 on right wall = 0.724091133 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1255------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00854334295 Right electrode charge = -0.00854334295 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99826 Bulk concentration of Na = 0.99845 ________________________________________________________________________ Average electrode charge 1 = 0.00785883861 Average electrode charge 2 = -0.00785883861 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395454 -0.568954 -0.565658 ________________________________________________________________________ Electrode charge exchange: 0.0636845896 Move Jump Cl: 0.93415 0.36915 Na: 0.93436 0.36943 ________________________________________________________________________ Create NaCl : 1380874. / 3762166. = 0.36704 Destroy NaCl : 1380894. / 3766481. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.18816024 Potential at right wall /kT = -1.1967654 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7149392 Potential at right wall /mV = -30.93739 ________________________________________________________________________ Capacitance of left DL = 0.0500660674 Capacitance of right DL = 0.0497060746 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62787234 Capacitance of right DL [F/m2] = 1.61616736 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5551559 Adsorption of ion 1 on right wall = -5.04732557 Adsorption of ion 2 on left wall = -5.32588013 Adsorption of ion 2 on right wall = 6.7772113 ------------------------------------------------------------------------ net charge in left DL = -11.881036 12.8171922 net charge in right DL = 11.8245369 -12.8171922 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.511434628 Relative adsorption of ion 1 on right wall = -0.393793392 Relative adsorption of ion 2 on left wall = -0.415526277 Relative adsorption of ion 2 on right wall = 0.528759436 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1260------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00929854614 Right electrode charge = -0.00929854614 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99817 Bulk concentration of Na = 0.99837 ________________________________________________________________________ Average electrode charge 1 = 0.00786061434 Average electrode charge 2 = -0.00786061434 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395294 -0.568954 -0.565499 ________________________________________________________________________ Electrode charge exchange: 0.063687018 Move Jump Cl: 0.93417 0.36915 Na: 0.93436 0.36944 ________________________________________________________________________ Create NaCl : 1386398. / 3777101. = 0.36705 Destroy NaCl : 1386397. / 3781683. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.18724535 Potential at right wall /kT = -1.19547441 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6912887 Potential at right wall /mV = -30.9040167 ________________________________________________________________________ Capacitance of left DL = 0.0545337326 Capacitance of right DL = 0.0541583493 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62912677 Capacitance of right DL [F/m2] = 1.61791266 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5724993 Adsorption of ion 1 on right wall = -5.05751769 Adsorption of ion 2 on left wall = -5.31111613 Adsorption of ion 2 on right wall = 6.76769743 ------------------------------------------------------------------------ net charge in left DL = -11.8836154 13.9501894 net charge in right DL = 11.8252151 -13.9501894 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.471140505 Relative adsorption of ion 1 on right wall = -0.362541148 Relative adsorption of ion 2 on left wall = -0.38072 Relative adsorption of ion 2 on right wall = 0.485133012 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1265------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00492574224 Right electrode charge = -0.00492574224 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99853 ________________________________________________________________________ Average electrode charge 1 = 0.00785856877 Average electrode charge 2 = -0.00785856877 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395607 -0.568954 -0.565812 ________________________________________________________________________ Electrode charge exchange: 0.0636919707 Move Jump Cl: 0.93417 0.36915 Na: 0.93434 0.36943 ________________________________________________________________________ Create NaCl : 1391925. / 3792285. = 0.36704 Destroy NaCl : 1391939. / 3796571. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.18816877 Potential at right wall /kT = -1.19630313 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7151598 Potential at right wall /mV = -30.9254399 ________________________________________________________________________ Capacitance of left DL = 0.0288658401 Capacitance of right DL = 0.0286695644 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62786065 Capacitance of right DL [F/m2] = 1.61679187 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5674358 Adsorption of ion 1 on right wall = -5.06753218 Adsorption of ion 2 on left wall = -5.312789 Adsorption of ion 2 on right wall = 6.75647662 ------------------------------------------------------------------------ net charge in left DL = -11.8802248 7.38986895 net charge in right DL = 11.8240088 -7.38986895 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.88870802 Relative adsorption of ion 1 on right wall = -0.685740467 Relative adsorption of ion 2 on left wall = -0.718928716 Relative adsorption of ion 2 on right wall = 0.914289098 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1270------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00868552715 Right electrode charge = -0.00868552715 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99852 ________________________________________________________________________ Average electrode charge 1 = 0.00785716676 Average electrode charge 2 = -0.00785716676 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395594 -0.568954 -0.565798 ________________________________________________________________________ Electrode charge exchange: 0.0636856461 Move Jump Cl: 0.93420 0.36917 Na: 0.93437 0.36944 ________________________________________________________________________ Create NaCl : 1397442. / 3807328. = 0.36704 Destroy NaCl : 1397452. / 3811658. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.18630123 Potential at right wall /kT = -1.19441584 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6668823 Potential at right wall /mV = -30.8766518 ________________________________________________________________________ Capacitance of left DL = 0.0509790637 Capacitance of right DL = 0.0506327225 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63042332 Capacitance of right DL [F/m2] = 1.61934656 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57047197 Adsorption of ion 1 on right wall = -5.08030854 Adsorption of ion 2 on left wall = -5.3062044 Adsorption of ion 2 on right wall = 6.74071968 ------------------------------------------------------------------------ net charge in left DL = -11.8766764 13.0305047 net charge in right DL = 11.8210282 -13.0305047 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.504237719 Relative adsorption of ion 1 on right wall = -0.38987811 Relative adsorption of ion 2 on left wall = -0.407214035 Relative adsorption of ion 2 on right wall = 0.517303038 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1275------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00791702613 Right electrode charge = -0.00791702613 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99829 Bulk concentration of Na = 0.99847 ________________________________________________________________________ Average electrode charge 1 = 0.00785533674 Average electrode charge 2 = -0.00785533674 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395510 -0.568954 -0.565715 ________________________________________________________________________ Electrode charge exchange: 0.0636955612 Move Jump Cl: 0.93420 0.36922 Na: 0.93438 0.36945 ________________________________________________________________________ Create NaCl : 1403009. / 3822309. = 0.36706 Destroy NaCl : 1403018. / 3826575. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.1876986 Potential at right wall /kT = -1.19588806 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7030054 Potential at right wall /mV = -30.9147098 ________________________________________________________________________ Capacitance of left DL = 0.0464137317 Capacitance of right DL = 0.0460958898 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62850507 Capacitance of right DL [F/m2] = 1.61735304 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.568275 Adsorption of ion 1 on right wall = -5.07562474 Adsorption of ion 2 on left wall = -5.30488787 Adsorption of ion 2 on right wall = 6.74551239 ------------------------------------------------------------------------ net charge in left DL = -11.8731629 11.8775573 net charge in right DL = 11.8211371 -11.8775573 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.552998806 Relative adsorption of ion 1 on right wall = -0.427329006 Relative adsorption of ion 2 on left wall = -0.446631218 Relative adsorption of ion 2 on right wall = 0.567920847 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1280------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00839638717 Right electrode charge = -0.00839638717 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99832 Bulk concentration of Na = 0.99848 ________________________________________________________________________ Average electrode charge 1 = 0.00785280614 Average electrode charge 2 = -0.00785280614 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395547 -0.568954 -0.565752 ________________________________________________________________________ Electrode charge exchange: 0.0636983021 Move Jump Cl: 0.93422 0.36920 Na: 0.93438 0.36946 ________________________________________________________________________ Create NaCl : 1408544. / 3837368. = 0.36706 Destroy NaCl : 1408558. / 3841579. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.19052013 Potential at right wall /kT = -1.19919269 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7759446 Potential at right wall /mV = -31.0001375 ________________________________________________________________________ Capacitance of left DL = 0.0491073348 Capacitance of right DL = 0.0487521906 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6246455 Capacitance of right DL [F/m2] = 1.61289607 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57868332 Adsorption of ion 1 on right wall = -5.07902371 Adsorption of ion 2 on left wall = -5.29119712 Adsorption of ion 2 on right wall = 6.74233218 ------------------------------------------------------------------------ net charge in left DL = -11.8698804 12.596721 net charge in right DL = 11.8213559 -12.596721 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.522253633 Relative adsorption of ion 1 on right wall = -0.403202048 Relative adsorption of ion 2 on left wall = -0.42004559 Relative adsorption of ion 2 on right wall = 0.535245018 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1285------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0067962241 Right electrode charge = -0.0067962241 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99835 Bulk concentration of Na = 0.99849 ________________________________________________________________________ Average electrode charge 1 = 0.00785102869 Average electrode charge 2 = -0.00785102869 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395585 -0.568954 -0.565790 ________________________________________________________________________ Electrode charge exchange: 0.063695275 Move Jump Cl: 0.93421 0.36922 Na: 0.93438 0.36946 ________________________________________________________________________ Create NaCl : 1414134. / 3852481. = 0.36707 Destroy NaCl : 1414145. / 3856620. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.18890036 Potential at right wall /kT = -1.19753119 ------------------------------------------------------------------------ Potential at left wall /mV = 30.734072 Potential at right wall /mV = -30.9571862 ________________________________________________________________________ Capacitance of left DL = 0.0398027324 Capacitance of right DL = 0.0395158666 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62685895 Capacitance of right DL [F/m2] = 1.61513387 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56875827 Adsorption of ion 1 on right wall = -5.0808619 Adsorption of ion 2 on left wall = -5.29427524 Adsorption of ion 2 on right wall = 6.73975842 ------------------------------------------------------------------------ net charge in left DL = -11.8630335 10.1960685 net charge in right DL = 11.8206203 -10.1960685 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.644244224 Relative adsorption of ion 1 on right wall = -0.498315785 Relative adsorption of ion 2 on left wall = -0.519246729 Relative adsorption of ion 2 on right wall = 0.661015409 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1290------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00612739822 Right electrode charge = -0.00612739822 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99846 ________________________________________________________________________ Average electrode charge 1 = 0.00784962278 Average electrode charge 2 = -0.00784962278 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395533 -0.568954 -0.565737 ________________________________________________________________________ Electrode charge exchange: 0.0636822669 Move Jump Cl: 0.93418 0.36922 Na: 0.93437 0.36949 ________________________________________________________________________ Create NaCl : 1419680. / 3867575. = 0.36707 Destroy NaCl : 1419691. / 3871774. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.18759686 Potential at right wall /kT = -1.19584771 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7003755 Potential at right wall /mV = -30.9136669 ________________________________________________________________________ Capacitance of left DL = 0.0359250778 Capacitance of right DL = 0.0356772098 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62864457 Capacitance of right DL [F/m2] = 1.61740761 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56868334 Adsorption of ion 1 on right wall = -5.07473313 Adsorption of ion 2 on left wall = -5.2898156 Adsorption of ion 2 on right wall = 6.74397607 ------------------------------------------------------------------------ net charge in left DL = -11.8584989 9.19265924 net charge in right DL = 11.8187092 -9.19265924 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.714557471 Relative adsorption of ion 1 on right wall = -0.552041907 Relative adsorption of ion 2 on left wall = -0.575439104 Relative adsorption of ion 2 on right wall = 0.733626244 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1295------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00625738626 Right electrode charge = -0.00625738626 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 319 -1.00 3.0000 1.5000 Na ion: 319 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99835 Bulk concentration of Na = 0.99851 ________________________________________________________________________ Average electrode charge 1 = 0.00784844422 Average electrode charge 2 = -0.00784844422 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395608 -0.568954 -0.565812 ________________________________________________________________________ Electrode charge exchange: 0.0636845848 Move Jump Cl: 0.93416 0.36923 Na: 0.93437 0.36947 ________________________________________________________________________ Create NaCl : 1425203. / 3882391. = 0.36709 Destroy NaCl : 1425184. / 3886689. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.18866513 Potential at right wall /kT = -1.19691404 ------------------------------------------------------------------------ Potential at left wall /mV = 30.727991 Potential at right wall /mV = -30.9412323 ________________________________________________________________________ Capacitance of left DL = 0.0366542296 Capacitance of right DL = 0.0364016154 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6271809 Capacitance of right DL [F/m2] = 1.61596667 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5565446 Adsorption of ion 1 on right wall = -5.0718444 Adsorption of ion 2 on left wall = -5.30547515 Adsorption of ion 2 on right wall = 6.74150895 ------------------------------------------------------------------------ net charge in left DL = -11.8620198 9.38767442 net charge in right DL = 11.8133534 -9.38767442 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.698420536 Relative adsorption of ion 1 on right wall = -0.540266329 Relative adsorption of ion 2 on left wall = -0.565153297 Relative adsorption of ion 2 on right wall = 0.71812343 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1300------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101865421 Right electrode charge = -0.0101865421 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99849 ________________________________________________________________________ Average electrode charge 1 = 0.0078484701 Average electrode charge 2 = -0.0078484701 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395569 -0.568954 -0.565773 ________________________________________________________________________ Electrode charge exchange: 0.0636860227 Move Jump Cl: 0.93417 0.36925 Na: 0.93440 0.36948 ________________________________________________________________________ Create NaCl : 1430627. / 3897271. = 0.36708 Destroy NaCl : 1430641. / 3901747. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.19131396 Potential at right wall /kT = -1.19998808 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7964656 Potential at right wall /mV = -31.0206989 ________________________________________________________________________ Capacitance of left DL = 0.059537584 Capacitance of right DL = 0.0591072163 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62356293 Capacitance of right DL [F/m2] = 1.611827 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55209146 Adsorption of ion 1 on right wall = -5.06840912 Adsorption of ion 2 on left wall = -5.3116124 Adsorption of ion 2 on right wall = 6.74759382 ------------------------------------------------------------------------ net charge in left DL = -11.8637039 15.2824098 net charge in right DL = 11.8160029 -15.2824098 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.428734182 Relative adsorption of ion 1 on right wall = -0.331649863 Relative adsorption of ion 2 on left wall = -0.347563799 Relative adsorption of ion 2 on right wall = 0.441526821 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1305------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00707376261 Right electrode charge = -0.00707376261 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99839 Bulk concentration of Na = 0.99854 ________________________________________________________________________ Average electrode charge 1 = 0.00785028808 Average electrode charge 2 = -0.00785028808 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395682 -0.568954 -0.565886 ________________________________________________________________________ Electrode charge exchange: 0.0636815696 Move Jump Cl: 0.93416 0.36925 Na: 0.93439 0.36946 ________________________________________________________________________ Create NaCl : 1436117. / 3912432. = 0.36707 Destroy NaCl : 1436128. / 3916637. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.18830701 Potential at right wall /kT = -1.19747077 ------------------------------------------------------------------------ Potential at left wall /mV = 30.7187334 Potential at right wall /mV = -30.9556244 ________________________________________________________________________ Capacitance of left DL = 0.0414488491 Capacitance of right DL = 0.0411316576 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.62767128 Capacitance of right DL [F/m2] = 1.61521536 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56052841 Adsorption of ion 1 on right wall = -5.07137255 Adsorption of ion 2 on left wall = -5.30265124 Adsorption of ion 2 on right wall = 6.7463289 ------------------------------------------------------------------------ net charge in left DL = -11.8631796 10.6124471 net charge in right DL = 11.8177015 -10.6124471 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.618191862 Relative adsorption of ion 1 on right wall = -0.477870233 Relative adsorption of ion 2 on left wall = -0.499663387 Relative adsorption of ion 2 on right wall = 0.635699652 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1310------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00835277966 Right electrode charge = -0.00835277966 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99849 Bulk concentration of Na = 0.99867 ________________________________________________________________________ Average electrode charge 1 = 0.00785004189 Average electrode charge 2 = -0.00785004189 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395907 -0.568954 -0.566112 ________________________________________________________________________ Electrode charge exchange: 0.0636655946 Move Jump Cl: 0.93414 0.36926 Na: 0.93438 0.36946 ________________________________________________________________________ Create NaCl : 1441524. / 3927259. = 0.36706 Destroy NaCl : 1441541. / 3931457. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.18572034 Potential at right wall /kT = -1.19495968 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6518658 Potential at right wall /mV = -30.8907105 ________________________________________________________________________ Capacitance of left DL = 0.0490500448 Capacitance of right DL = 0.0486707934 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63122207 Capacitance of right DL [F/m2] = 1.61860958 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54441629 Adsorption of ion 1 on right wall = -5.07826603 Adsorption of ion 2 on left wall = -5.32103794 Adsorption of ion 2 on right wall = 6.73281982 ------------------------------------------------------------------------ net charge in left DL = -11.8654542 12.5312986 net charge in right DL = 11.8110859 -12.5312986 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.522245656 Relative adsorption of ion 1 on right wall = -0.405246589 Relative adsorption of ion 2 on left wall = -0.424619833 Relative adsorption of ion 2 on right wall = 0.537280294 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1315------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00765869841 Right electrode charge = -0.00765869841 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99843 Bulk concentration of Na = 0.99860 ________________________________________________________________________ Average electrode charge 1 = 0.00785159006 Average electrode charge 2 = -0.00785159006 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395779 -0.568954 -0.565984 ________________________________________________________________________ Electrode charge exchange: 0.0636658258 Move Jump Cl: 0.93414 0.36926 Na: 0.93437 0.36945 ________________________________________________________________________ Create NaCl : 1447072. / 3942273. = 0.36707 Destroy NaCl : 1447076. / 3946578. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.18381238 Potential at right wall /kT = -1.19293602 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6025434 Potential at right wall /mV = -30.8383973 ________________________________________________________________________ Capacitance of left DL = 0.0450466755 Capacitance of right DL = 0.0447021557 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63385113 Capacitance of right DL [F/m2] = 1.62135533 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5549866 Adsorption of ion 1 on right wall = -5.08216916 Adsorption of ion 2 on left wall = -5.30812333 Adsorption of ion 2 on right wall = 6.7326299 ------------------------------------------------------------------------ net charge in left DL = -11.8631099 11.4899999 net charge in right DL = 11.8147991 -11.4899999 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.570494925 Relative adsorption of ion 1 on right wall = -0.442312379 Relative adsorption of ion 2 on left wall = -0.461977668 Relative adsorption of ion 2 on right wall = 0.585955612 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1320------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00710434505 Right electrode charge = -0.00710434505 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99844 Bulk concentration of Na = 0.99860 ________________________________________________________________________ Average electrode charge 1 = 0.00785045301 Average electrode charge 2 = -0.00785045301 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395789 -0.568954 -0.565993 ________________________________________________________________________ Electrode charge exchange: 0.0636646347 Move Jump Cl: 0.93415 0.36925 Na: 0.93438 0.36943 ________________________________________________________________________ Create NaCl : 1452468. / 3957283. = 0.36704 Destroy NaCl : 1452494. / 3961510. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.18233773 Potential at right wall /kT = -1.19152861 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5644225 Potential at right wall /mV = -30.8020145 ________________________________________________________________________ Capacitance of left DL = 0.0418382153 Capacitance of right DL = 0.0415154953 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63588891 Capacitance of right DL [F/m2] = 1.62327045 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5618877 Adsorption of ion 1 on right wall = -5.07991312 Adsorption of ion 2 on left wall = -5.29783074 Adsorption of ion 2 on right wall = 6.73317816 ------------------------------------------------------------------------ net charge in left DL = -11.8597184 10.6583285 net charge in right DL = 11.8130913 -10.6583285 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.615658233 Relative adsorption of ion 1 on right wall = -0.476614426 Relative adsorption of ion 2 on left wall = -0.497060185 Relative adsorption of ion 2 on right wall = 0.631729277 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1325------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00568670556 Right electrode charge = -0.00568670556 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99859 ________________________________________________________________________ Average electrode charge 1 = 0.00785150066 Average electrode charge 2 = -0.00785150066 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395752 -0.568954 -0.565956 ________________________________________________________________________ Electrode charge exchange: 0.0636704927 Move Jump Cl: 0.93415 0.36926 Na: 0.93440 0.36942 ________________________________________________________________________ Create NaCl : 1458084. / 3972221. = 0.36707 Destroy NaCl : 1458094. / 3976684. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.18281541 Potential at right wall /kT = -1.19173023 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5767709 Potential at right wall /mV = -30.8072265 ________________________________________________________________________ Capacitance of left DL = 0.0334760666 Capacitance of right DL = 0.0332256465 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63522827 Capacitance of right DL [F/m2] = 1.62299583 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55129055 Adsorption of ion 1 on right wall = -5.07731693 Adsorption of ion 2 on left wall = -5.31132085 Adsorption of ion 2 on right wall = 6.73617104 ------------------------------------------------------------------------ net charge in left DL = -11.8626114 8.5315079 net charge in right DL = 11.813488 -8.5315079 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.767893627 Relative adsorption of ion 1 on right wall = -0.595125386 Relative adsorption of ion 2 on left wall = -0.622553587 Relative adsorption of ion 2 on right wall = 0.789563945 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1330------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102091591 Right electrode charge = -0.0102091591 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99847 Bulk concentration of Na = 0.99867 ________________________________________________________________________ Average electrode charge 1 = 0.00785116202 Average electrode charge 2 = -0.00785116202 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395882 -0.568954 -0.566086 ________________________________________________________________________ Electrode charge exchange: 0.0636702524 Move Jump Cl: 0.93415 0.36925 Na: 0.93439 0.36941 ________________________________________________________________________ Create NaCl : 1463509. / 3987162. = 0.36706 Destroy NaCl : 1463517. / 3991604. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.18170391 Potential at right wall /kT = -1.19043149 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5480377 Potential at right wall /mV = -30.773653 ________________________________________________________________________ Capacitance of left DL = 0.060155031 Capacitance of right DL = 0.0597140078 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63676634 Capacitance of right DL [F/m2] = 1.62476649 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54687343 Adsorption of ion 1 on right wall = -5.07930514 Adsorption of ion 2 on left wall = -5.31891256 Adsorption of ion 2 on right wall = 6.72823995 ------------------------------------------------------------------------ net charge in left DL = -11.865786 15.3163411 net charge in right DL = 11.8075451 -15.3163411 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.427443695 Relative adsorption of ion 1 on right wall = -0.331626536 Relative adsorption of ion 2 on left wall = -0.347270443 Relative adsorption of ion 2 on right wall = 0.439285069 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1335------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00751913688 Right electrode charge = -0.00751913688 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99846 Bulk concentration of Na = 0.99867 ________________________________________________________________________ Average electrode charge 1 = 0.00785193117 Average electrode charge 2 = -0.00785193117 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395879 -0.568954 -0.566083 ________________________________________________________________________ Electrode charge exchange: 0.0636697575 Move Jump Cl: 0.93415 0.36924 Na: 0.93441 0.36941 ________________________________________________________________________ Create NaCl : 1468938. / 4002190. = 0.36703 Destroy NaCl : 1468947. / 4006543. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.17995961 Potential at right wall /kT = -1.18831059 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5029461 Potential at right wall /mV = -30.7188259 ________________________________________________________________________ Capacitance of left DL = 0.0443702118 Capacitance of right DL = 0.0440583955 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63918593 Capacitance of right DL [F/m2] = 1.62766638 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54229345 Adsorption of ion 1 on right wall = -5.07219775 Adsorption of ion 2 on left wall = -5.32472469 Adsorption of ion 2 on right wall = 6.7335941 ------------------------------------------------------------------------ net charge in left DL = -11.8670181 11.280622 net charge in right DL = 11.8057918 -11.280622 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.579958575 Relative adsorption of ion 1 on right wall = -0.449638128 Relative adsorption of ion 2 on left wall = -0.472024034 Relative adsorption of ion 2 on right wall = 0.596916917 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1340------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00763934124 Right electrode charge = -0.00763934124 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99847 Bulk concentration of Na = 0.99868 ________________________________________________________________________ Average electrode charge 1 = 0.00785308746 Average electrode charge 2 = -0.00785308746 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395895 -0.568954 -0.566100 ________________________________________________________________________ Electrode charge exchange: 0.0636634851 Move Jump Cl: 0.93415 0.36924 Na: 0.93441 0.36939 ________________________________________________________________________ Create NaCl : 1474364. / 4017253. = 0.36701 Destroy NaCl : 1474369. / 4021365. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.17970724 Potential at right wall /kT = -1.18843476 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4964221 Potential at right wall /mV = -30.7220358 ________________________________________________________________________ Capacitance of left DL = 0.045089178 Capacitance of right DL = 0.0447580563 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63953659 Capacitance of right DL [F/m2] = 1.62749631 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54727682 Adsorption of ion 1 on right wall = -5.07387293 Adsorption of ion 2 on left wall = -5.32215548 Adsorption of ion 2 on right wall = 6.73238557 ------------------------------------------------------------------------ net charge in left DL = -11.8694323 11.4609592 net charge in right DL = 11.8062585 -11.4609592 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.571267791 Relative adsorption of ion 1 on right wall = -0.442709276 Relative adsorption of ion 2 on left wall = -0.464372607 Relative adsorption of ion 2 on right wall = 0.587419035 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1345------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00873683778 Right electrode charge = -0.00873683778 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99844 Bulk concentration of Na = 0.99866 ________________________________________________________________________ Average electrode charge 1 = 0.00785139407 Average electrode charge 2 = -0.00785139407 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395852 -0.568954 -0.566056 ________________________________________________________________________ Electrode charge exchange: 0.0636630355 Move Jump Cl: 0.93414 0.36924 Na: 0.93443 0.36937 ________________________________________________________________________ Create NaCl : 1479817. / 4032082. = 0.36701 Destroy NaCl : 1479821. / 4036437. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.17855919 Potential at right wall /kT = -1.18710121 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4667441 Potential at right wall /mV = -30.6875625 ________________________________________________________________________ Capacitance of left DL = 0.0516170911 Capacitance of right DL = 0.0512456703 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64113369 Capacitance of right DL [F/m2] = 1.62932459 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55365541 Adsorption of ion 1 on right wall = -5.0676597 Adsorption of ion 2 on left wall = -5.31250095 Adsorption of ion 2 on right wall = 6.73517414 ------------------------------------------------------------------------ net charge in left DL = -11.8661564 13.1074837 net charge in right DL = 11.8028338 -13.1074837 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.499993404 Relative adsorption of ion 1 on right wall = -0.386623383 Relative adsorption of ion 2 on left wall = -0.405302884 Relative adsorption of ion 2 on right wall = 0.513841884 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1350------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00950274608 Right electrode charge = -0.00950274608 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99843 Bulk concentration of Na = 0.99866 ________________________________________________________________________ Average electrode charge 1 = 0.00785238166 Average electrode charge 2 = -0.00785238166 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395838 -0.568954 -0.566042 ________________________________________________________________________ Electrode charge exchange: 0.0636527228 Move Jump Cl: 0.93411 0.36925 Na: 0.93442 0.36937 ________________________________________________________________________ Create NaCl : 1485243. / 4047013. = 0.36700 Destroy NaCl : 1485232. / 4051445. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.17891584 Potential at right wall /kT = -1.18689908 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4759637 Potential at right wall /mV = -30.6823373 ________________________________________________________________________ Capacitance of left DL = 0.0561250804 Capacitance of right DL = 0.0557475754 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64063721 Capacitance of right DL [F/m2] = 1.62960206 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55842866 Adsorption of ion 1 on right wall = -5.07052109 Adsorption of ion 2 on left wall = -5.31006082 Adsorption of ion 2 on right wall = 6.73285251 ------------------------------------------------------------------------ net charge in left DL = -11.8684895 14.2565414 net charge in right DL = 11.8033736 -14.2565414 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.460029433 Relative adsorption of ion 1 on right wall = -0.355662776 Relative adsorption of ion 2 on left wall = -0.372464869 Relative adsorption of ion 2 on right wall = 0.472264087 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1355------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00680231316 Right electrode charge = -0.00680231316 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99865 ________________________________________________________________________ Average electrode charge 1 = 0.00785235408 Average electrode charge 2 = -0.00785235408 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395820 -0.568954 -0.566025 ________________________________________________________________________ Electrode charge exchange: 0.0636508787 Move Jump Cl: 0.93413 0.36924 Na: 0.93443 0.36936 ________________________________________________________________________ Create NaCl : 1490808. / 4062085. = 0.36701 Destroy NaCl : 1490815. / 4066308. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.17705162 Potential at right wall /kT = -1.18462731 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4277722 Potential at right wall /mV = -30.6236102 ________________________________________________________________________ Capacitance of left DL = 0.0402394248 Capacitance of right DL = 0.0399820937 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64323565 Capacitance of right DL [F/m2] = 1.63272716 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56386306 Adsorption of ion 1 on right wall = -5.06572396 Adsorption of ion 2 on left wall = -5.30335099 Adsorption of ion 2 on right wall = 6.73589791 ------------------------------------------------------------------------ net charge in left DL = -11.867214 10.2052037 net charge in right DL = 11.8016219 -10.2052037 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.643187854 Relative adsorption of ion 1 on right wall = -0.496386366 Relative adsorption of ion 2 on left wall = -0.519671253 Relative adsorption of ion 2 on right wall = 0.660045416 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1360------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00921694403 Right electrode charge = -0.00921694403 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99847 Bulk concentration of Na = 0.99869 ________________________________________________________________________ Average electrode charge 1 = 0.00785363427 Average electrode charge 2 = -0.00785363427 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395905 -0.568954 -0.566109 ________________________________________________________________________ Electrode charge exchange: 0.0636582922 Move Jump Cl: 0.93413 0.36923 Na: 0.93444 0.36935 ________________________________________________________________________ Create NaCl : 1496233. / 4077103. = 0.36698 Destroy NaCl : 1496232. / 4081264. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.18074423 Potential at right wall /kT = -1.18854402 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5232292 Potential at right wall /mV = -30.7248603 ________________________________________________________________________ Capacitance of left DL = 0.0543527812 Capacitance of right DL = 0.0539960923 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.63809667 Capacitance of right DL [F/m2] = 1.6273467 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56836876 Adsorption of ion 1 on right wall = -5.08117395 Adsorption of ion 2 on left wall = -5.30287382 Adsorption of ion 2 on right wall = 6.72567882 ------------------------------------------------------------------------ net charge in left DL = -11.8712426 13.8277655 net charge in right DL = 11.8068528 -13.8277655 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.475013029 Relative adsorption of ion 1 on right wall = -0.367461681 Relative adsorption of ion 2 on left wall = -0.383494631 Relative adsorption of ion 2 on right wall = 0.486389419 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1365------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00589990749 Right electrode charge = -0.00589990749 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 259 -1.00 3.0000 1.5000 Na ion: 259 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99841 Bulk concentration of Na = 0.99862 ________________________________________________________________________ Average electrode charge 1 = 0.00785308041 Average electrode charge 2 = -0.00785308041 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395778 -0.568954 -0.565982 ________________________________________________________________________ Electrode charge exchange: 0.0636621016 Move Jump Cl: 0.93413 0.36925 Na: 0.93444 0.36934 ________________________________________________________________________ Create NaCl : 1501739. / 4091933. = 0.36700 Destroy NaCl : 1501780. / 4096321. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.17907335 Potential at right wall /kT = -1.18708365 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4800357 Potential at right wall /mV = -30.6871086 ________________________________________________________________________ Capacitance of left DL = 0.0348413544 Capacitance of right DL = 0.0346062491 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64041803 Capacitance of right DL [F/m2] = 1.62934868 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56254762 Adsorption of ion 1 on right wall = -5.08276935 Adsorption of ion 2 on left wall = -5.30657182 Adsorption of ion 2 on right wall = 6.72212855 ------------------------------------------------------------------------ net charge in left DL = -11.8691194 8.85136514 net charge in right DL = 11.8048979 -8.85136514 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.741416439 Relative adsorption of ion 1 on right wall = -0.574235643 Relative adsorption of ion 2 on left wall = -0.599520157 Relative adsorption of ion 2 on right wall = 0.759445401 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1370------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00770255201 Right electrode charge = -0.00770255201 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99840 Bulk concentration of Na = 0.99862 ________________________________________________________________________ Average electrode charge 1 = 0.00785323828 Average electrode charge 2 = -0.00785323828 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395768 -0.568954 -0.565973 ________________________________________________________________________ Electrode charge exchange: 0.0636731571 Move Jump Cl: 0.93414 0.36927 Na: 0.93443 0.36936 ________________________________________________________________________ Create NaCl : 1507268. / 4107117. = 0.36699 Destroy NaCl : 1507269. / 4111236. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.17560911 Potential at right wall /kT = -1.18392611 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3904821 Potential at right wall /mV = -30.6054835 ________________________________________________________________________ Capacitance of left DL = 0.0456207424 Capacitance of right DL = 0.0453002598 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64525195 Capacitance of right DL [F/m2] = 1.63369417 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.566717 Adsorption of ion 1 on right wall = -5.08594067 Adsorption of ion 2 on left wall = -5.30034886 Adsorption of ion 2 on right wall = 6.71631745 ------------------------------------------------------------------------ net charge in left DL = -11.8670659 11.5557914 net charge in right DL = 11.8022581 -11.5557914 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.568261987 Relative adsorption of ion 1 on right wall = -0.440120497 Relative adsorption of ion 2 on left wall = -0.458674673 Relative adsorption of ion 2 on right wall = 0.581207915 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1375------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00662522824 Right electrode charge = -0.00662522824 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99834 Bulk concentration of Na = 0.99854 ________________________________________________________________________ Average electrode charge 1 = 0.00785299613 Average electrode charge 2 = -0.00785299613 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395626 -0.568954 -0.565831 ________________________________________________________________________ Electrode charge exchange: 0.063670075 Move Jump Cl: 0.93413 0.36927 Na: 0.93441 0.36935 ________________________________________________________________________ Create NaCl : 1512750. / 4122080. = 0.36699 Destroy NaCl : 1512756. / 4126167. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.17390285 Potential at right wall /kT = -1.18227807 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3463737 Potential at right wall /mV = -30.5628802 ________________________________________________________________________ Capacitance of left DL = 0.039296995 Capacitance of right DL = 0.0390186163 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64764332 Capacitance of right DL [F/m2] = 1.63597147 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5753658 Adsorption of ion 1 on right wall = -5.07657462 Adsorption of ion 2 on left wall = -5.28682801 Adsorption of ion 2 on right wall = 6.72730199 ------------------------------------------------------------------------ net charge in left DL = -11.8621938 9.93953115 net charge in right DL = 11.8038766 -9.93953115 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.661536817 Relative adsorption of ion 1 on right wall = -0.510745883 Relative adsorption of ion 2 on left wall = -0.531899134 Relative adsorption of ion 2 on right wall = 0.676822869 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1380------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0059065307 Right electrode charge = -0.0059065307 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99831 Bulk concentration of Na = 0.99852 ________________________________________________________________________ Average electrode charge 1 = 0.00785394504 Average electrode charge 2 = -0.00785394504 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395574 -0.568954 -0.565778 ________________________________________________________________________ Electrode charge exchange: 0.0636690815 Move Jump Cl: 0.93410 0.36926 Na: 0.93439 0.36932 ________________________________________________________________________ Create NaCl : 1518244. / 4137006. = 0.36699 Destroy NaCl : 1518238. / 4141198. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.17592163 Potential at right wall /kT = -1.18433381 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3985609 Potential at right wall /mV = -30.6160228 ________________________________________________________________________ Capacitance of left DL = 0.0349739545 Capacitance of right DL = 0.0347255387 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64481471 Capacitance of right DL [F/m2] = 1.63313179 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58055741 Adsorption of ion 1 on right wall = -5.06977544 Adsorption of ion 2 on left wall = -5.28639614 Adsorption of ion 2 on right wall = 6.73496727 ------------------------------------------------------------------------ net charge in left DL = -11.8669536 8.86130165 net charge in right DL = 11.8047427 -8.86130165 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.74261747 Relative adsorption of ion 1 on right wall = -0.572125365 Relative adsorption of ion 2 on left wall = -0.596571063 Relative adsorption of ion 2 on right wall = 0.760042659 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1385------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00669593084 Right electrode charge = -0.00669593084 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99848 ________________________________________________________________________ Average electrode charge 1 = 0.00785250084 Average electrode charge 2 = -0.00785250084 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395501 -0.568954 -0.565706 ________________________________________________________________________ Electrode charge exchange: 0.0636657147 Move Jump Cl: 0.93410 0.36926 Na: 0.93438 0.36933 ________________________________________________________________________ Create NaCl : 1523860. / 4152057. = 0.36701 Destroy NaCl : 1523865. / 4156141. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.17910248 Potential at right wall /kT = -1.18744513 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4807887 Potential at right wall /mV = -30.6964532 ________________________________________________________________________ Capacitance of left DL = 0.0395412194 Capacitance of right DL = 0.0392634141 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6403775 Capacitance of right DL [F/m2] = 1.62885268 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59155848 Adsorption of ion 1 on right wall = -5.06746709 Adsorption of ion 2 on left wall = -5.2753607 Adsorption of ion 2 on right wall = 6.73766342 ------------------------------------------------------------------------ net charge in left DL = -11.8669192 10.0456031 net charge in right DL = 11.8051305 -10.0456031 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.656163541 Relative adsorption of ion 1 on right wall = -0.504446278 Relative adsorption of ion 2 on left wall = -0.525141265 Relative adsorption of ion 2 on right wall = 0.670707709 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1390------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00821160391 Right electrode charge = -0.00821160391 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99822 Bulk concentration of Na = 0.99843 ________________________________________________________________________ Average electrode charge 1 = 0.00785193392 Average electrode charge 2 = -0.00785193392 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395390 -0.568954 -0.565595 ________________________________________________________________________ Electrode charge exchange: 0.0636650503 Move Jump Cl: 0.93409 0.36926 Na: 0.93440 0.36933 ________________________________________________________________________ Create NaCl : 1529386. / 4166969. = 0.36703 Destroy NaCl : 1529401. / 4171224. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.17730227 Potential at right wall /kT = -1.18543286 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4342516 Potential at right wall /mV = -30.6444342 ________________________________________________________________________ Capacitance of left DL = 0.0485658131 Capacitance of right DL = 0.0482327123 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64288581 Capacitance of right DL [F/m2] = 1.63161766 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5877163 Adsorption of ion 1 on right wall = -5.07664911 Adsorption of ion 2 on left wall = -5.2766323 Adsorption of ion 2 on right wall = 6.72649978 ------------------------------------------------------------------------ net charge in left DL = -11.8643486 12.319499 net charge in right DL = 11.8031489 -12.319499 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.534738976 Relative adsorption of ion 1 on right wall = -0.412082431 Relative adsorption of ion 2 on left wall = -0.428315493 Relative adsorption of ion 2 on right wall = 0.546004327 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1395------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00736859715 Right electrode charge = -0.00736859715 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99819 Bulk concentration of Na = 0.99841 ________________________________________________________________________ Average electrode charge 1 = 0.00785203865 Average electrode charge 2 = -0.00785203865 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395351 -0.568954 -0.565555 ________________________________________________________________________ Electrode charge exchange: 0.0636590899 Move Jump Cl: 0.93410 0.36926 Na: 0.93438 0.36933 ________________________________________________________________________ Create NaCl : 1534999. / 4182013. = 0.36705 Destroy NaCl : 1535013. / 4186265. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.17576406 Potential at right wall /kT = -1.1836639 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3944877 Potential at right wall /mV = -30.5987051 ________________________________________________________________________ Capacitance of left DL = 0.04363704 Capacitance of right DL = 0.0433458042 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64503513 Capacitance of right DL [F/m2] = 1.63405608 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58848355 Adsorption of ion 1 on right wall = -5.06967803 Adsorption of ion 2 on left wall = -5.27689588 Adsorption of ion 2 on right wall = 6.73042628 ------------------------------------------------------------------------ net charge in left DL = -11.8653794 11.054774 net charge in right DL = 11.8001043 -11.054774 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.595985368 Relative adsorption of ion 1 on right wall = -0.458596262 Relative adsorption of ion 2 on left wall = -0.477340909 Relative adsorption of ion 2 on right wall = 0.608825317 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1400------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00716997546 Right electrode charge = -0.00716997546 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99813 Bulk concentration of Na = 0.99837 ________________________________________________________________________ Average electrode charge 1 = 0.00785091404 Average electrode charge 2 = -0.00785091404 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395242 -0.568954 -0.565446 ________________________________________________________________________ Electrode charge exchange: 0.0636484373 Move Jump Cl: 0.93409 0.36926 Na: 0.93437 0.36932 ________________________________________________________________________ Create NaCl : 1540554. / 4196944. = 0.36707 Destroy NaCl : 1540557. / 4201284. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.17702155 Potential at right wall /kT = -1.18434521 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4269947 Potential at right wall /mV = -30.6163176 ________________________________________________________________________ Capacitance of left DL = 0.0424154334 Capacitance of right DL = 0.0421531481 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64327764 Capacitance of right DL [F/m2] = 1.63311606 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58283025 Adsorption of ion 1 on right wall = -5.0632951 Adsorption of ion 2 on left wall = -5.2836728 Adsorption of ion 2 on right wall = 6.73386006 ------------------------------------------------------------------------ net charge in left DL = -11.8665031 10.7567909 net charge in right DL = 11.7971552 -10.7567909 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.611969717 Relative adsorption of ion 1 on right wall = -0.470706847 Relative adsorption of ion 2 on left wall = -0.491194156 Relative adsorption of ion 2 on right wall = 0.626010132 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1405------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00680960882 Right electrode charge = -0.00680960882 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99809 Bulk concentration of Na = 0.99831 ________________________________________________________________________ Average electrode charge 1 = 0.00784825555 Average electrode charge 2 = -0.00784825555 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395145 -0.568954 -0.565350 ________________________________________________________________________ Electrode charge exchange: 0.0636519664 Move Jump Cl: 0.93411 0.36926 Na: 0.93436 0.36933 ________________________________________________________________________ Create NaCl : 1546174. / 4211885. = 0.36710 Destroy NaCl : 1546178. / 4216446. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 1.17517408 Potential at right wall /kT = -1.18242003 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3792363 Potential at right wall /mV = -30.5665501 ________________________________________________________________________ Capacitance of left DL = 0.0403469409 Capacitance of right DL = 0.0400996922 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64586099 Capacitance of right DL [F/m2] = 1.63577505 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57747291 Adsorption of ion 1 on right wall = -5.06188682 Adsorption of ion 2 on left wall = -5.28181763 Adsorption of ion 2 on right wall = 6.73210616 ------------------------------------------------------------------------ net charge in left DL = -11.8592905 10.216149 net charge in right DL = 11.793993 -10.216149 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.643830947 Relative adsorption of ion 1 on right wall = -0.495478952 Relative adsorption of ion 2 on left wall = -0.517006712 Relative adsorption of ion 2 on right wall = 0.658967105 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1410------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00773532194 Right electrode charge = -0.00773532194 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99806 Bulk concentration of Na = 0.99831 ________________________________________________________________________ Average electrode charge 1 = 0.00784806252 Average electrode charge 2 = -0.00784806252 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395113 -0.568954 -0.565318 ________________________________________________________________________ Electrode charge exchange: 0.0636560443 Move Jump Cl: 0.93411 0.36926 Na: 0.93435 0.36933 ________________________________________________________________________ Create NaCl : 1551704. / 4226751. = 0.36712 Destroy NaCl : 1551720. / 4231372. = 0.36672 ________________________________________________________________________ Potential at left wall /kT = 1.17481862 Potential at right wall /kT = -1.18182193 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3700472 Potential at right wall /mV = -30.5510887 ________________________________________________________________________ Capacitance of left DL = 0.0458456596 Capacitance of right DL = 0.0455739846 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64635898 Capacitance of right DL [F/m2] = 1.63660289 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57783099 Adsorption of ion 1 on right wall = -5.05524721 Adsorption of ion 2 on left wall = -5.28397197 Adsorption of ion 2 on right wall = 6.73512348 ------------------------------------------------------------------------ net charge in left DL = -11.861803 11.6049547 net charge in right DL = 11.7903707 -11.6049547 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566812295 Relative adsorption of ion 1 on right wall = -0.435611112 Relative adsorption of ion 2 on left wall = -0.455320346 Relative adsorption of ion 2 on right wall = 0.580366203 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1415------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00870310497 Right electrode charge = -0.00870310497 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99813 Bulk concentration of Na = 0.99837 ________________________________________________________________________ Average electrode charge 1 = 0.00785098761 Average electrode charge 2 = -0.00785098761 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395253 -0.568954 -0.565458 ________________________________________________________________________ Electrode charge exchange: 0.0636724859 Move Jump Cl: 0.93411 0.36925 Na: 0.93435 0.36932 ________________________________________________________________________ Create NaCl : 1557140. / 4241885. = 0.36709 Destroy NaCl : 1557157. / 4246363. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 1.17792279 Potential at right wall /kT = -1.1845171 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4502927 Potential at right wall /mV = -30.6207612 ________________________________________________________________________ Capacitance of left DL = 0.0514455777 Capacitance of right DL = 0.0511591756 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64202034 Capacitance of right DL [F/m2] = 1.63287907 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57683326 Adsorption of ion 1 on right wall = -5.06271391 Adsorption of ion 2 on left wall = -5.290789 Adsorption of ion 2 on right wall = 6.73439375 ------------------------------------------------------------------------ net charge in left DL = -11.8676223 13.0568759 net charge in right DL = 11.7971077 -13.0568759 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5037065 Relative adsorption of ion 1 on right wall = -0.387743128 Relative adsorption of ion 2 on left wall = -0.405210943 Relative adsorption of ion 2 on right wall = 0.515773742 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1420------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00922239613 Right electrode charge = -0.00922239613 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99819 Bulk concentration of Na = 0.99845 ________________________________________________________________________ Average electrode charge 1 = 0.00785128035 Average electrode charge 2 = -0.00785128035 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395388 -0.568954 -0.565592 ________________________________________________________________________ Electrode charge exchange: 0.0636648729 Move Jump Cl: 0.93413 0.36925 Na: 0.93435 0.36932 ________________________________________________________________________ Create NaCl : 1562707. / 4256994. = 0.36709 Destroy NaCl : 1562694. / 4261313. = 0.36672 ________________________________________________________________________ Potential at left wall /kT = 1.17777387 Potential at right wall /kT = -1.18434239 ------------------------------------------------------------------------ Potential at left wall /mV = 30.446443 Potential at right wall /mV = -30.6162448 ________________________________________________________________________ Capacitance of left DL = 0.0545220919 Capacitance of right DL = 0.054219705 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64222796 Capacitance of right DL [F/m2] = 1.63311995 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56829996 Adsorption of ion 1 on right wall = -5.06363866 Adsorption of ion 2 on left wall = -5.30336136 Adsorption of ion 2 on right wall = 6.72991705 ------------------------------------------------------------------------ net charge in left DL = -11.8716613 13.835945 net charge in right DL = 11.7935557 -13.835945 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.474727237 Relative adsorption of ion 1 on right wall = -0.365977073 Relative adsorption of ion 2 on left wall = -0.383303153 Relative adsorption of ion 2 on right wall = 0.486408195 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1425------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00930574502 Right electrode charge = -0.00930574502 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99819 Bulk concentration of Na = 0.99845 ________________________________________________________________________ Average electrode charge 1 = 0.00785179648 Average electrode charge 2 = -0.00785179648 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395391 -0.568954 -0.565596 ________________________________________________________________________ Electrode charge exchange: 0.0636606402 Move Jump Cl: 0.93414 0.36924 Na: 0.93434 0.36930 ________________________________________________________________________ Create NaCl : 1568168. / 4272074. = 0.36707 Destroy NaCl : 1568174. / 4276168. = 0.36672 ________________________________________________________________________ Potential at left wall /kT = 1.17578846 Potential at right wall /kT = -1.1828485 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3951183 Potential at right wall /mV = -30.5776265 ________________________________________________________________________ Capacitance of left DL = 0.055107741 Capacitance of right DL = 0.0547788204 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.645001 Capacitance of right DL [F/m2] = 1.63518251 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57429038 Adsorption of ion 1 on right wall = -5.0551202 Adsorption of ion 2 on left wall = -5.29621086 Adsorption of ion 2 on right wall = 6.73876791 ------------------------------------------------------------------------ net charge in left DL = -11.8705012 13.9609896 net charge in right DL = 11.7938881 -13.9609896 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.470904325 Relative adsorption of ion 1 on right wall = -0.36208896 Relative adsorption of ion 2 on left wall = -0.37935784 Relative adsorption of ion 2 on right wall = 0.482685548 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1430------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.011375003 Right electrode charge = -0.011375003 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99826 Bulk concentration of Na = 0.99854 ________________________________________________________________________ Average electrode charge 1 = 0.00785428096 Average electrode charge 2 = -0.00785428096 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395546 -0.568954 -0.565751 ________________________________________________________________________ Electrode charge exchange: 0.0636597129 Move Jump Cl: 0.93415 0.36922 Na: 0.93434 0.36928 ________________________________________________________________________ Create NaCl : 1573705. / 4287105. = 0.36708 Destroy NaCl : 1573703. / 4291259. = 0.36672 ________________________________________________________________________ Potential at left wall /kT = 1.17601583 Potential at right wall /kT = -1.18303082 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4009962 Potential at right wall /mV = -30.5823395 ________________________________________________________________________ Capacitance of left DL = 0.0673486668 Capacitance of right DL = 0.0669493112 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64468295 Capacitance of right DL [F/m2] = 1.63493051 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5758959 Adsorption of ion 1 on right wall = -5.06572642 Adsorption of ion 2 on left wall = -5.29970808 Adsorption of ion 2 on right wall = 6.73046936 ------------------------------------------------------------------------ net charge in left DL = -11.875604 17.065404 net charge in right DL = 11.7961958 -17.065404 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.385334909 Relative adsorption of ion 1 on right wall = -0.296841868 Relative adsorption of ion 2 on left wall = -0.310552746 Relative adsorption of ion 2 on right wall = 0.394392618 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1435------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00671411267 Right electrode charge = -0.00671411267 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99854 ________________________________________________________________________ Average electrode charge 1 = 0.00785724392 Average electrode charge 2 = -0.00785724392 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395554 -0.568954 -0.565759 ________________________________________________________________________ Electrode charge exchange: 0.0636698343 Move Jump Cl: 0.93416 0.36922 Na: 0.93434 0.36928 ________________________________________________________________________ Create NaCl : 1579164. / 4302002. = 0.36708 Destroy NaCl : 1579192. / 4306325. = 0.36671 ________________________________________________________________________ Potential at left wall /kT = 1.17626884 Potential at right wall /kT = -1.18353509 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4075367 Potential at right wall /mV = -30.5953753 ________________________________________________________________________ Capacitance of left DL = 0.0397441016 Capacitance of right DL = 0.0395000949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64432918 Capacitance of right DL [F/m2] = 1.63423391 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58142159 Adsorption of ion 1 on right wall = -5.06467399 Adsorption of ion 2 on left wall = -5.29828674 Adsorption of ion 2 on right wall = 6.73650235 ------------------------------------------------------------------------ net charge in left DL = -11.8797083 10.0728805 net charge in right DL = 11.8011763 -10.0728805 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.653380293 Relative adsorption of ion 1 on right wall = -0.502802948 Relative adsorption of ion 2 on left wall = -0.525995196 Relative adsorption of ion 2 on right wall = 0.668776163 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1440------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00788114452 Right electrode charge = -0.00788114452 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99830 Bulk concentration of Na = 0.99855 ________________________________________________________________________ Average electrode charge 1 = 0.00785629056 Average electrode charge 2 = -0.00785629056 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395597 -0.568954 -0.565802 ________________________________________________________________________ Electrode charge exchange: 0.0636712055 Move Jump Cl: 0.93416 0.36920 Na: 0.93435 0.36924 ________________________________________________________________________ Create NaCl : 1584696. / 4317040. = 0.36708 Destroy NaCl : 1584703. / 4321346. = 0.36672 ________________________________________________________________________ Potential at left wall /kT = 1.1753565 Potential at right wall /kT = -1.18253415 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3839518 Potential at right wall /mV = -30.5695001 ________________________________________________________________________ Capacitance of left DL = 0.0466885442 Capacitance of right DL = 0.0464051577 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64560556 Capacitance of right DL [F/m2] = 1.63561719 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58046418 Adsorption of ion 1 on right wall = -5.06484884 Adsorption of ion 2 on left wall = -5.29523685 Adsorption of ion 2 on right wall = 6.73632872 ------------------------------------------------------------------------ net charge in left DL = -11.875701 11.8237257 net charge in right DL = 11.8011776 -11.8237257 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.556547432 Relative adsorption of ion 1 on right wall = -0.428363188 Relative adsorption of ion 2 on left wall = -0.447848417 Relative adsorption of ion 2 on right wall = 0.569729786 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1445------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00843006179 Right electrode charge = -0.00843006179 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99853 ________________________________________________________________________ Average electrode charge 1 = 0.00785987963 Average electrode charge 2 = -0.00785987963 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395544 -0.568954 -0.565748 ________________________________________________________________________ Electrode charge exchange: 0.063670901 Move Jump Cl: 0.93417 0.36917 Na: 0.93434 0.36923 ________________________________________________________________________ Create NaCl : 1590115. / 4332211. = 0.36704 Destroy NaCl : 1590109. / 4336153. = 0.36671 ________________________________________________________________________ Potential at left wall /kT = 1.17712112 Potential at right wall /kT = -1.18426218 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4295689 Potential at right wall /mV = -30.6141711 ________________________________________________________________________ Capacitance of left DL = 0.049865509 Capacitance of right DL = 0.0495648221 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64313862 Capacitance of right DL [F/m2] = 1.63323057 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58676745 Adsorption of ion 1 on right wall = -5.05596853 Adsorption of ion 2 on left wall = -5.29653564 Adsorption of ion 2 on right wall = 6.75043299 ------------------------------------------------------------------------ net charge in left DL = -11.8833031 12.6472415 net charge in right DL = 11.8064015 -12.6472415 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.520806646 Relative adsorption of ion 1 on right wall = -0.39976848 Relative adsorption of ion 2 on left wall = -0.418789791 Relative adsorption of ion 2 on right wall = 0.533747455 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1450------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00538202884 Right electrode charge = -0.00538202884 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99852 ________________________________________________________________________ Average electrode charge 1 = 0.00786035751 Average electrode charge 2 = -0.00786035751 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395536 -0.568954 -0.565741 ________________________________________________________________________ Electrode charge exchange: 0.0636639257 Move Jump Cl: 0.93417 0.36919 Na: 0.93433 0.36922 ________________________________________________________________________ Create NaCl : 1595455. / 4347017. = 0.36702 Destroy NaCl : 1595454. / 4350955. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.17683705 Potential at right wall /kT = -1.18380912 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4222252 Potential at right wall /mV = -30.6024591 ________________________________________________________________________ Capacitance of left DL = 0.0318434667 Capacitance of right DL = 0.0316559239 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64353526 Capacitance of right DL [F/m2] = 1.63385563 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58390461 Adsorption of ion 1 on right wall = -5.04968636 Adsorption of ion 2 on left wall = -5.29707816 Adsorption of ion 2 on right wall = 6.75980741 ------------------------------------------------------------------------ net charge in left DL = -11.8809828 8.07441516 net charge in right DL = 11.8094938 -8.07441516 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.815403281 Relative adsorption of ion 1 on right wall = -0.625393452 Relative adsorption of ion 2 on left wall = -0.656032426 Relative adsorption of ion 2 on right wall = 0.837188487 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1455------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00741021157 Right electrode charge = -0.00741021157 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99824 Bulk concentration of Na = 0.99848 ________________________________________________________________________ Average electrode charge 1 = 0.00785942542 Average electrode charge 2 = -0.00785942542 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395467 -0.568954 -0.565671 ________________________________________________________________________ Electrode charge exchange: 0.0636701686 Move Jump Cl: 0.93418 0.36918 Na: 0.93432 0.36922 ________________________________________________________________________ Create NaCl : 1600884. / 4361949. = 0.36701 Destroy NaCl : 1600881. / 4365922. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.17600226 Potential at right wall /kT = -1.18329868 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4006453 Potential at right wall /mV = -30.5892638 ________________________________________________________________________ Capacitance of left DL = 0.0438745933 Capacitance of right DL = 0.0436040553 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64470193 Capacitance of right DL [F/m2] = 1.63456042 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58832763 Adsorption of ion 1 on right wall = -5.04069745 Adsorption of ion 2 on left wall = -5.28963923 Adsorption of ion 2 on right wall = 6.76792629 ------------------------------------------------------------------------ net charge in left DL = -11.8779669 11.1172063 net charge in right DL = 11.8086237 -11.1172063 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.592624395 Relative adsorption of ion 1 on right wall = -0.453414045 Relative adsorption of ion 2 on left wall = -0.475806521 Relative adsorption of ion 2 on right wall = 0.608779412 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1460------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00905212527 Right electrode charge = -0.00905212527 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99825 Bulk concentration of Na = 0.99845 ________________________________________________________________________ Average electrode charge 1 = 0.00786160195 Average electrode charge 2 = -0.00786160195 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395441 -0.568954 -0.565646 ________________________________________________________________________ Electrode charge exchange: 0.0636698448 Move Jump Cl: 0.93418 0.36915 Na: 0.93432 0.36921 ________________________________________________________________________ Create NaCl : 1606358. / 4376980. = 0.36700 Destroy NaCl : 1606371. / 4380937. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.17783959 Potential at right wall /kT = -1.18482186 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4481418 Potential at right wall /mV = -30.6286394 ________________________________________________________________________ Capacitance of left DL = 0.0535124779 Capacitance of right DL = 0.0531971236 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64213634 Capacitance of right DL [F/m2] = 1.63245907 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59593269 Adsorption of ion 1 on right wall = -5.04183535 Adsorption of ion 2 on left wall = -5.28024721 Adsorption of ion 2 on right wall = 6.77698658 ------------------------------------------------------------------------ net charge in left DL = -11.8761799 13.5804953 net charge in right DL = 11.8188219 -13.5804953 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.485691613 Relative adsorption of ion 1 on right wall = -0.37125563 Relative adsorption of ion 2 on left wall = -0.388811091 Relative adsorption of ion 2 on right wall = 0.49902352 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1465------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00744398563 Right electrode charge = -0.00744398563 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99822 Bulk concentration of Na = 0.99843 ________________________________________________________________________ Average electrode charge 1 = 0.00786072517 Average electrode charge 2 = -0.00786072517 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395399 -0.568954 -0.565604 ________________________________________________________________________ Electrode charge exchange: 0.0636706144 Move Jump Cl: 0.93418 0.36916 Na: 0.93432 0.36922 ________________________________________________________________________ Create NaCl : 1611842. / 4391793. = 0.36701 Destroy NaCl : 1611840. / 4396083. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.17272383 Potential at right wall /kT = -1.17934848 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3158952 Potential at right wall /mV = -30.4871479 ________________________________________________________________________ Capacitance of left DL = 0.0441977772 Capacitance of right DL = 0.0439495091 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6492998 Capacitance of right DL [F/m2] = 1.64003534 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59717052 Adsorption of ion 1 on right wall = -5.03953704 Adsorption of ion 2 on left wall = -5.27684171 Adsorption of ion 2 on right wall = 6.77161739 ------------------------------------------------------------------------ net charge in left DL = -11.8740122 11.167876 net charge in right DL = 11.8111544 -11.167876 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.590727418 Relative adsorption of ion 1 on right wall = -0.451252957 Relative adsorption of ion 2 on left wall = -0.47250182 Relative adsorption of ion 2 on right wall = 0.606347834 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1470------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00630415008 Right electrode charge = -0.00630415008 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99825 Bulk concentration of Na = 0.99846 ________________________________________________________________________ Average electrode charge 1 = 0.00786287911 Average electrode charge 2 = -0.00786287911 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395464 -0.568954 -0.565668 ________________________________________________________________________ Electrode charge exchange: 0.0636713627 Move Jump Cl: 0.93418 0.36915 Na: 0.93431 0.36920 ________________________________________________________________________ Create NaCl : 1617297. / 4406949. = 0.36699 Destroy NaCl : 1617321. / 4410961. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.17068607 Potential at right wall /kT = -1.17823366 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2632173 Potential at right wall /mV = -30.4583288 ________________________________________________________________________ Capacitance of left DL = 0.0374952926 Capacitance of right DL = 0.0372551034 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65217067 Capacitance of right DL [F/m2] = 1.64158711 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60462832 Adsorption of ion 1 on right wall = -5.04120966 Adsorption of ion 2 on left wall = -5.27093052 Adsorption of ion 2 on right wall = 6.77225304 ------------------------------------------------------------------------ net charge in left DL = -11.8755588 9.45783208 net charge in right DL = 11.8134627 -9.45783208 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.698323703 Relative adsorption of ion 1 on right wall = -0.533019577 Relative adsorption of ion 2 on left wall = -0.557308533 Relative adsorption of ion 2 on right wall = 0.716047079 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1475------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00677564243 Right electrode charge = -0.00677564243 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99824 Bulk concentration of Na = 0.99844 ________________________________________________________________________ Average electrode charge 1 = 0.0078636456 Average electrode charge 2 = -0.0078636456 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395432 -0.568954 -0.565637 ________________________________________________________________________ Electrode charge exchange: 0.0636708123 Move Jump Cl: 0.93417 0.36916 Na: 0.93433 0.36920 ________________________________________________________________________ Create NaCl : 1622775. / 4421718. = 0.36700 Destroy NaCl : 1622788. / 4426031. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.17232269 Potential at right wall /kT = -1.1800864 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3055252 Potential at right wall /mV = -30.5062237 ________________________________________________________________________ Capacitance of left DL = 0.0402433349 Capacitance of right DL = 0.0399785766 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64986416 Capacitance of right DL [F/m2] = 1.63900981 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60084797 Adsorption of ion 1 on right wall = -5.04337056 Adsorption of ion 2 on left wall = -5.27463094 Adsorption of ion 2 on right wall = 6.77465821 ------------------------------------------------------------------------ net charge in left DL = -11.8754789 10.1651908 net charge in right DL = 11.8180288 -10.1651908 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.649358001 Relative adsorption of ion 1 on right wall = -0.49614126 Relative adsorption of ion 2 on left wall = -0.518891485 Relative adsorption of ion 2 on right wall = 0.666456573 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1480------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00531011662 Right electrode charge = -0.00531011662 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99819 Bulk concentration of Na = 0.99841 ________________________________________________________________________ Average electrode charge 1 = 0.00786511304 Average electrode charge 2 = -0.00786511304 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395339 -0.568954 -0.565543 ________________________________________________________________________ Electrode charge exchange: 0.0636795984 Move Jump Cl: 0.93419 0.36917 Na: 0.93434 0.36920 ________________________________________________________________________ Create NaCl : 1628274. / 4436615. = 0.36701 Destroy NaCl : 1628289. / 4441053. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.17500071 Potential at right wall /kT = -1.18234969 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3747545 Potential at right wall /mV = -30.5647318 ________________________________________________________________________ Capacitance of left DL = 0.0314670899 Capacitance of right DL = 0.031271504 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64610384 Capacitance of right DL [F/m2] = 1.63587236 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61430142 Adsorption of ion 1 on right wall = -5.04300348 Adsorption of ion 2 on left wall = -5.26843782 Adsorption of ion 2 on right wall = 6.7756378 ------------------------------------------------------------------------ net charge in left DL = -11.8827392 7.9665285 net charge in right DL = 11.8186413 -7.9665285 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.830261439 Relative adsorption of ion 1 on right wall = -0.633023967 Relative adsorption of ion 2 on left wall = -0.661321656 Relative adsorption of ion 2 on right wall = 0.850513219 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1485------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00981148814 Right electrode charge = -0.00981148814 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99830 Bulk concentration of Na = 0.99850 ________________________________________________________________________ Average electrode charge 1 = 0.00786744032 Average electrode charge 2 = -0.00786744032 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395548 -0.568954 -0.565753 ________________________________________________________________________ Electrode charge exchange: 0.0636829804 Move Jump Cl: 0.93416 0.36916 Na: 0.93433 0.36917 ________________________________________________________________________ Create NaCl : 1633760. / 4451650. = 0.36700 Destroy NaCl : 1633756. / 4455929. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.17283973 Potential at right wall /kT = -1.18013816 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3188913 Potential at right wall /mV = -30.5075618 ________________________________________________________________________ Capacitance of left DL = 0.0582487844 Capacitance of right DL = 0.0578885515 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64913682 Capacitance of right DL [F/m2] = 1.63893792 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60282424 Adsorption of ion 1 on right wall = -5.0463564 Adsorption of ion 2 on left wall = -5.27867866 Adsorption of ion 2 on right wall = 6.77689266 ------------------------------------------------------------------------ net charge in left DL = -11.8815029 14.7197332 net charge in right DL = 11.8232491 -14.7197332 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.44856956 Relative adsorption of ion 1 on right wall = -0.342829339 Relative adsorption of ion 2 on left wall = -0.358612387 Relative adsorption of ion 2 on right wall = 0.460395074 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1490------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0078603026 Right electrode charge = -0.0078603026 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99852 ________________________________________________________________________ Average electrode charge 1 = 0.00786673172 Average electrode charge 2 = -0.00786673172 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395597 -0.568954 -0.565801 ________________________________________________________________________ Electrode charge exchange: 0.0636811456 Move Jump Cl: 0.93416 0.36917 Na: 0.93434 0.36915 ________________________________________________________________________ Create NaCl : 1639225. / 4466684. = 0.36699 Destroy NaCl : 1639222. / 4470970. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.17469384 Potential at right wall /kT = -1.1818114 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3668216 Potential at right wall /mV = -30.5508165 ________________________________________________________________________ Capacitance of left DL = 0.0465913426 Capacitance of right DL = 0.0463107424 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64653386 Capacitance of right DL [F/m2] = 1.63661747 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60140341 Adsorption of ion 1 on right wall = -5.0588877 Adsorption of ion 2 on left wall = -5.27956275 Adsorption of ion 2 on right wall = 6.76544089 ------------------------------------------------------------------------ net charge in left DL = -11.8809662 11.7924575 net charge in right DL = 11.8243286 -11.7924575 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.559798786 Relative adsorption of ion 1 on right wall = -0.428993506 Relative adsorption of ion 2 on left wall = -0.447706743 Relative adsorption of ion 2 on right wall = 0.573709158 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1495------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00533551179 Right electrode charge = -0.00533551179 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99835 Bulk concentration of Na = 0.99855 ________________________________________________________________________ Average electrode charge 1 = 0.00786531831 Average electrode charge 2 = -0.00786531831 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395654 -0.568954 -0.565858 ________________________________________________________________________ Electrode charge exchange: 0.0636769342 Move Jump Cl: 0.93416 0.36919 Na: 0.93433 0.36914 ________________________________________________________________________ Create NaCl : 1644692. / 4481675. = 0.36698 Destroy NaCl : 1644700. / 4485841. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.17607779 Potential at right wall /kT = -1.18301733 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4025978 Potential at right wall /mV = -30.5819909 ________________________________________________________________________ Capacitance of left DL = 0.0315886226 Capacitance of right DL = 0.0314033246 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64459631 Capacitance of right DL [F/m2] = 1.63494915 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60863911 Adsorption of ion 1 on right wall = -5.06861869 Adsorption of ion 2 on left wall = -5.27226399 Adsorption of ion 2 on right wall = 6.75372168 ------------------------------------------------------------------------ net charge in left DL = -11.8809031 8.00462773 net charge in right DL = 11.8223404 -8.00462773 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.825602306 Relative adsorption of ion 1 on right wall = -0.633211046 Relative adsorption of ion 2 on left wall = -0.658651991 Relative adsorption of ion 2 on right wall = 0.843727143 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1500------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00805112769 Right electrode charge = -0.00805112769 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99837 Bulk concentration of Na = 0.99855 ________________________________________________________________________ Average electrode charge 1 = 0.00786162664 Average electrode charge 2 = -0.00786162664 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395667 -0.568954 -0.565872 ________________________________________________________________________ Electrode charge exchange: 0.0636877559 Move Jump Cl: 0.93416 0.36918 Na: 0.93433 0.36915 ________________________________________________________________________ Create NaCl : 1650200. / 4496536. = 0.36699 Destroy NaCl : 1650221. / 4500898. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.17016427 Potential at right wall /kT = -1.17744938 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2497285 Potential at right wall /mV = -30.4380547 ________________________________________________________________________ Capacitance of left DL = 0.0479071718 Capacitance of right DL = 0.0476107607 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6529074 Capacitance of right DL [F/m2] = 1.64268054 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59347459 Adsorption of ion 1 on right wall = -5.06101946 Adsorption of ion 2 on left wall = -5.27628367 Adsorption of ion 2 on right wall = 6.75363827 ------------------------------------------------------------------------ net charge in left DL = -11.8697583 12.0787438 net charge in right DL = 11.8146577 -12.0787438 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.545874198 Relative adsorption of ion 1 on right wall = -0.419002137 Relative adsorption of ion 2 on left wall = -0.436823875 Relative adsorption of ion 2 on right wall = 0.55913416 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1505------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0073446042 Right electrode charge = -0.0073446042 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99829 Bulk concentration of Na = 0.99850 ________________________________________________________________________ Average electrode charge 1 = 0.00786105236 Average electrode charge 2 = -0.00786105236 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395536 -0.568954 -0.565741 ________________________________________________________________________ Electrode charge exchange: 0.0636988093 Move Jump Cl: 0.93417 0.36918 Na: 0.93431 0.36916 ________________________________________________________________________ Create NaCl : 1655697. / 4511494. = 0.36700 Destroy NaCl : 1655700. / 4516041. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.16825228 Potential at right wall /kT = -1.17582408 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2003018 Potential at right wall /mV = -30.3960391 ________________________________________________________________________ Capacitance of left DL = 0.0437746228 Capacitance of right DL = 0.0434927332 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6556126 Capacitance of right DL [F/m2] = 1.64495117 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58916884 Adsorption of ion 1 on right wall = -5.04236771 Adsorption of ion 2 on left wall = -5.28247557 Adsorption of ion 2 on right wall = 6.76623041 ------------------------------------------------------------------------ net charge in left DL = -11.8716444 11.0187785 net charge in right DL = 11.8085981 -11.0187785 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.597994493 Relative adsorption of ion 1 on right wall = -0.457615853 Relative adsorption of ion 2 on left wall = -0.479406641 Relative adsorption of ion 2 on right wall = 0.614063567 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1510------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00926719155 Right electrode charge = -0.00926719155 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99850 ________________________________________________________________________ Average electrode charge 1 = 0.0078590273 Average electrode charge 2 = -0.0078590273 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395518 -0.568954 -0.565722 ________________________________________________________________________ Electrode charge exchange: 0.0636936821 Move Jump Cl: 0.93418 0.36917 Na: 0.93433 0.36916 ________________________________________________________________________ Create NaCl : 1661179. / 4526598. = 0.36698 Destroy NaCl : 1661195. / 4531119. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.16931273 Potential at right wall /kT = -1.17688801 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2277153 Potential at right wall /mV = -30.4235428 ________________________________________________________________________ Capacitance of left DL = 0.0551833569 Capacitance of right DL = 0.0548281577 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65411112 Capacitance of right DL [F/m2] = 1.64346409 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5928804 Adsorption of ion 1 on right wall = -5.03619763 Adsorption of ion 2 on left wall = -5.27823645 Adsorption of ion 2 on right wall = 6.76861631 ------------------------------------------------------------------------ net charge in left DL = -11.8711168 13.9031496 net charge in right DL = 11.8048139 -13.9031496 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.474200494 Relative adsorption of ion 1 on right wall = -0.362234298 Relative adsorption of ion 2 on left wall = -0.379643218 Relative adsorption of ion 2 on right wall = 0.486840502 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1515------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00812827444 Right electrode charge = -0.00812827444 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99822 Bulk concentration of Na = 0.99844 ________________________________________________________________________ Average electrode charge 1 = 0.00786007205 Average electrode charge 2 = -0.00786007205 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395408 -0.568954 -0.565612 ________________________________________________________________________ Electrode charge exchange: 0.063699367 Move Jump Cl: 0.93419 0.36917 Na: 0.93432 0.36917 ________________________________________________________________________ Create NaCl : 1666645. / 4541423. = 0.36699 Destroy NaCl : 1666673. / 4546059. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.16793418 Potential at right wall /kT = -1.17577156 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1920787 Potential at right wall /mV = -30.3946816 ________________________________________________________________________ Capacitance of left DL = 0.0484585754 Capacitance of right DL = 0.0481355635 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65606352 Capacitance of right DL [F/m2] = 1.64502464 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59188053 Adsorption of ion 1 on right wall = -5.03227546 Adsorption of ion 2 on left wall = -5.2799957 Adsorption of ion 2 on right wall = 6.77313621 ------------------------------------------------------------------------ net charge in left DL = -11.8718762 12.1944836 net charge in right DL = 11.8054117 -12.1944836 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.540562499 Relative adsorption of ion 1 on right wall = -0.412668189 Relative adsorption of ion 2 on left wall = -0.432982312 Relative adsorption of ion 2 on right wall = 0.555426243 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1520------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00659482979 Right electrode charge = -0.00659482979 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99814 Bulk concentration of Na = 0.99836 ________________________________________________________________________ Average electrode charge 1 = 0.00785788528 Average electrode charge 2 = -0.00785788528 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395249 -0.568954 -0.565454 ________________________________________________________________________ Electrode charge exchange: 0.0637013632 Move Jump Cl: 0.93421 0.36916 Na: 0.93433 0.36919 ________________________________________________________________________ Create NaCl : 1672203. / 4556292. = 0.36701 Destroy NaCl : 1672207. / 4561221. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.16873994 Potential at right wall /kT = -1.1765858 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2129082 Potential at right wall /mV = -30.4157303 ________________________________________________________________________ Capacitance of left DL = 0.0392894871 Capacitance of right DL = 0.0390274918 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65492179 Capacitance of right DL [F/m2] = 1.64388622 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5972898 Adsorption of ion 1 on right wall = -5.0333085 Adsorption of ion 2 on left wall = -5.27024825 Adsorption of ion 2 on right wall = 6.77108667 ------------------------------------------------------------------------ net charge in left DL = -11.867538 9.89392573 net charge in right DL = 11.8043952 -9.89392573 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.666802033 Relative adsorption of ion 1 on right wall = -0.508727136 Relative adsorption of ion 2 on left wall = -0.532675138 Relative adsorption of ion 2 on right wall = 0.684368051 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1525------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102897039 Right electrode charge = -0.0102897039 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99813 Bulk concentration of Na = 0.99836 ________________________________________________________________________ Average electrode charge 1 = 0.00785793574 Average electrode charge 2 = -0.00785793574 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395244 -0.568954 -0.565448 ________________________________________________________________________ Electrode charge exchange: 0.0637000411 Move Jump Cl: 0.93421 0.36916 Na: 0.93432 0.36919 ________________________________________________________________________ Create NaCl : 1677675. / 4571375. = 0.36700 Destroy NaCl : 1677665. / 4576206. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.16962075 Potential at right wall /kT = -1.17728452 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2356778 Potential at right wall /mV = -30.4337929 ________________________________________________________________________ Capacitance of left DL = 0.0612559767 Capacitance of right DL = 0.0608572182 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65367551 Capacitance of right DL [F/m2] = 1.64291057 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59420707 Adsorption of ion 1 on right wall = -5.03604008 Adsorption of ion 2 on left wall = -5.27620204 Adsorption of ion 2 on right wall = 6.76679627 ------------------------------------------------------------------------ net charge in left DL = -11.8704091 15.4371788 net charge in right DL = 11.8028364 -15.4371788 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.427164002 Relative adsorption of ion 1 on right wall = -0.326228008 Relative adsorption of ion 2 on left wall = -0.341785382 Relative adsorption of ion 2 on right wall = 0.438344102 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1530------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00780825971 Right electrode charge = -0.00780825971 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 325 -1.00 3.0000 1.5000 Na ion: 325 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99820 Bulk concentration of Na = 0.99844 ________________________________________________________________________ Average electrode charge 1 = 0.00785689163 Average electrode charge 2 = -0.00785689163 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395390 -0.568954 -0.565594 ________________________________________________________________________ Electrode charge exchange: 0.0637068348 Move Jump Cl: 0.93422 0.36913 Na: 0.93433 0.36917 ________________________________________________________________________ Create NaCl : 1683118. / 4586520. = 0.36697 Destroy NaCl : 1683093. / 4591100. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.16834577 Potential at right wall /kT = -1.17627971 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2027185 Potential at right wall /mV = -30.4078177 ________________________________________________________________________ Capacitance of left DL = 0.0465343352 Capacitance of right DL = 0.0462204634 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65548012 Capacitance of right DL [F/m2] = 1.64431399 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5982547 Adsorption of ion 1 on right wall = -5.04382041 Adsorption of ion 2 on left wall = -5.27047672 Adsorption of ion 2 on right wall = 6.75608738 ------------------------------------------------------------------------ net charge in left DL = -11.8687314 11.7143799 net charge in right DL = 11.7999078 -11.7143799 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.563261115 Relative adsorption of ion 1 on right wall = -0.430566573 Relative adsorption of ion 2 on left wall = -0.449915126 Relative adsorption of ion 2 on right wall = 0.576734529 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1535------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00846542907 Right electrode charge = -0.00846542907 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99817 Bulk concentration of Na = 0.99841 ________________________________________________________________________ Average electrode charge 1 = 0.00785649742 Average electrode charge 2 = -0.00785649742 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395318 -0.568954 -0.565522 ________________________________________________________________________ Electrode charge exchange: 0.0637105126 Move Jump Cl: 0.93423 0.36913 Na: 0.93433 0.36919 ________________________________________________________________________ Create NaCl : 1688551. / 4601325. = 0.36697 Destroy NaCl : 1688569. / 4606219. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.16433346 Potential at right wall /kT = -1.17202436 ------------------------------------------------------------------------ Potential at left wall /mV = 30.098997 Potential at right wall /mV = -30.2978133 ________________________________________________________________________ Capacitance of left DL = 0.0506246752 Capacitance of right DL = 0.0502924728 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66118492 Capacitance of right DL [F/m2] = 1.65028412 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60007055 Adsorption of ion 1 on right wall = -5.04803954 Adsorption of ion 2 on left wall = -5.26586265 Adsorption of ion 2 on right wall = 6.74760836 ------------------------------------------------------------------------ net charge in left DL = -11.8659332 12.7003015 net charge in right DL = 11.7956479 -12.7003015 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519678259 Relative adsorption of ion 1 on right wall = -0.397473993 Relative adsorption of ion 2 on left wall = -0.414625012 Relative adsorption of ion 2 on right wall = 0.531295133 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1540------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00784077528 Right electrode charge = -0.00784077528 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99815 Bulk concentration of Na = 0.99841 ________________________________________________________________________ Average electrode charge 1 = 0.00785779105 Average electrode charge 2 = -0.00785779105 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395309 -0.568954 -0.565514 ________________________________________________________________________ Electrode charge exchange: 0.0637123727 Move Jump Cl: 0.93421 0.36913 Na: 0.93432 0.36917 ________________________________________________________________________ Create NaCl : 1694078. / 4616320. = 0.36698 Destroy NaCl : 1694065. / 4621230. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.16747899 Potential at right wall /kT = -1.17472699 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1803117 Potential at right wall /mV = -30.3676786 ________________________________________________________________________ Capacitance of left DL = 0.0467628085 Capacitance of right DL = 0.0464742845 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6567092 Capacitance of right DL [F/m2] = 1.6464874 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61567376 Adsorption of ion 1 on right wall = -5.04944984 Adsorption of ion 2 on left wall = -5.25705162 Adsorption of ion 2 on right wall = 6.74740574 ------------------------------------------------------------------------ net charge in left DL = -11.8727254 11.7631616 net charge in right DL = 11.7968556 -11.7631616 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.562406094 Relative adsorption of ion 1 on right wall = -0.429259583 Relative adsorption of ion 2 on left wall = -0.446908051 Relative adsorption of ion 2 on right wall = 0.573604783 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1545------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0060391037 Right electrode charge = -0.0060391037 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 331 -1.00 3.0000 1.5000 Na ion: 331 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99826 Bulk concentration of Na = 0.99851 ________________________________________________________________________ Average electrode charge 1 = 0.00785923142 Average electrode charge 2 = -0.00785923142 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395518 -0.568954 -0.565723 ________________________________________________________________________ Electrode charge exchange: 0.0637131341 Move Jump Cl: 0.93420 0.36912 Na: 0.93432 0.36915 ________________________________________________________________________ Create NaCl : 1699584. / 4631552. = 0.36696 Destroy NaCl : 1699553. / 4636140. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16816126 Potential at right wall /kT = -1.17543707 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1979488 Potential at right wall /mV = -30.3860347 ________________________________________________________________________ Capacitance of left DL = 0.0359965055 Capacitance of right DL = 0.0357736914 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6557416 Capacitance of right DL [F/m2] = 1.64549275 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61131105 Adsorption of ion 1 on right wall = -5.04699596 Adsorption of ion 2 on left wall = -5.26310994 Adsorption of ion 2 on right wall = 6.75346698 ------------------------------------------------------------------------ net charge in left DL = -11.874421 9.06019494 net charge in right DL = 11.8004629 -9.06019494 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.729709581 Relative adsorption of ion 1 on right wall = -0.557051586 Relative adsorption of ion 2 on left wall = -0.580904713 Relative adsorption of ion 2 on right wall = 0.745399743 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1550------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00645467543 Right electrode charge = -0.00645467543 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 277 -1.00 3.0000 1.5000 Na ion: 277 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99825 Bulk concentration of Na = 0.99852 ________________________________________________________________________ Average electrode charge 1 = 0.00785819235 Average electrode charge 2 = -0.00785819235 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395512 -0.568954 -0.565717 ________________________________________________________________________ Electrode charge exchange: 0.0637137058 Move Jump Cl: 0.93420 0.36911 Na: 0.93431 0.36916 ________________________________________________________________________ Create NaCl : 1705000. / 4646423. = 0.36695 Destroy NaCl : 1705023. / 4651365. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.17007316 Potential at right wall /kT = -1.1770215 ------------------------------------------------------------------------ Potential at left wall /mV = 30.247373 Potential at right wall /mV = -30.4269935 ________________________________________________________________________ Capacitance of left DL = 0.0384106844 Capacitance of right DL = 0.0381839336 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65303612 Capacitance of right DL [F/m2] = 1.6432777 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61288325 Adsorption of ion 1 on right wall = -5.05146073 Adsorption of ion 2 on left wall = -5.26411465 Adsorption of ion 2 on right wall = 6.7459346 ------------------------------------------------------------------------ net charge in left DL = -11.8769979 9.68365848 net charge in right DL = 11.7973953 -9.68365848 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.682891003 Relative adsorption of ion 1 on right wall = -0.521647964 Relative adsorption of ion 2 on left wall = -0.543608045 Relative adsorption of ion 2 on right wall = 0.696630784 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1555------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00849059957 Right electrode charge = -0.00849059957 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99821 Bulk concentration of Na = 0.99848 ________________________________________________________________________ Average electrode charge 1 = 0.00785782368 Average electrode charge 2 = -0.00785782368 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395432 -0.568954 -0.565637 ________________________________________________________________________ Electrode charge exchange: 0.0637147814 Move Jump Cl: 0.93419 0.36911 Na: 0.93431 0.36917 ________________________________________________________________________ Create NaCl : 1710475. / 4661320. = 0.36695 Destroy NaCl : 1710480. / 4666395. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.17269492 Potential at right wall /kT = -1.17957432 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3151479 Potential at right wall /mV = -30.492986 ________________________________________________________________________ Capacitance of left DL = 0.0504131653 Capacitance of right DL = 0.0501191508 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.64934046 Capacitance of right DL [F/m2] = 1.63972135 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61566323 Adsorption of ion 1 on right wall = -5.04784358 Adsorption of ion 2 on left wall = -5.26249396 Adsorption of ion 2 on right wall = 6.75091102 ------------------------------------------------------------------------ net charge in left DL = -11.8781572 12.7380636 net charge in right DL = 11.7987546 -12.7380636 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519361766 Relative adsorption of ion 1 on right wall = -0.396280292 Relative adsorption of ion 2 on left wall = -0.413131392 Relative adsorption of ion 2 on right wall = 0.529979376 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1560------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00757965433 Right electrode charge = -0.00757965433 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99824 Bulk concentration of Na = 0.99850 ________________________________________________________________________ Average electrode charge 1 = 0.00785708274 Average electrode charge 2 = -0.00785708274 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395485 -0.568954 -0.565689 ________________________________________________________________________ Electrode charge exchange: 0.0637096407 Move Jump Cl: 0.93418 0.36912 Na: 0.93430 0.36917 ________________________________________________________________________ Create NaCl : 1716030. / 4676297. = 0.36696 Destroy NaCl : 1716024. / 4681366. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.17018651 Potential at right wall /kT = -1.17744916 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2503034 Potential at right wall /mV = -30.438049 ________________________________________________________________________ Capacitance of left DL = 0.0451008746 Capacitance of right DL = 0.0448226869 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65287598 Capacitance of right DL [F/m2] = 1.64268084 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61055008 Adsorption of ion 1 on right wall = -5.0496746 Adsorption of ion 2 on left wall = -5.26376286 Adsorption of ion 2 on right wall = 6.74747667 ------------------------------------------------------------------------ net charge in left DL = -11.8743129 11.3714136 net charge in right DL = 11.7971513 -11.3714136 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581330548 Relative adsorption of ion 1 on right wall = -0.444067447 Relative adsorption of ion 2 on left wall = -0.462894329 Relative adsorption of ion 2 on right wall = 0.593371846 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1565------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.006930872 Right electrode charge = -0.006930872 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99821 Bulk concentration of Na = 0.99847 ________________________________________________________________________ Average electrode charge 1 = 0.0078549433 Average electrode charge 2 = -0.0078549433 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395420 -0.568954 -0.565625 ________________________________________________________________________ Electrode charge exchange: 0.0637110589 Move Jump Cl: 0.93419 0.36914 Na: 0.93430 0.36917 ________________________________________________________________________ Create NaCl : 1721584. / 4691290. = 0.36697 Destroy NaCl : 1721584. / 4696445. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.16899158 Potential at right wall /kT = -1.17647176 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2194133 Potential at right wall /mV = -30.4127824 ________________________________________________________________________ Capacitance of left DL = 0.0412826102 Capacitance of right DL = 0.041020129 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65456554 Capacitance of right DL [F/m2] = 1.64404556 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61225249 Adsorption of ion 1 on right wall = -5.0531351 Adsorption of ion 2 on left wall = -5.25812639 Adsorption of ion 2 on right wall = 6.74007154 ------------------------------------------------------------------------ net charge in left DL = -11.8703789 10.3980747 net charge in right DL = 11.7932066 -10.3980747 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.635911231 Relative adsorption of ion 1 on right wall = -0.48596834 Relative adsorption of ion 2 on left wall = -0.50568269 Relative adsorption of ion 2 on right wall = 0.6482038 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1570------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00557012638 Right electrode charge = -0.00557012638 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99823 Bulk concentration of Na = 0.99851 ________________________________________________________________________ Average electrode charge 1 = 0.00785536162 Average electrode charge 2 = -0.00785536162 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395485 -0.568954 -0.565689 ________________________________________________________________________ Electrode charge exchange: 0.0637039983 Move Jump Cl: 0.93421 0.36911 Na: 0.93429 0.36917 ________________________________________________________________________ Create NaCl : 1727075. / 4706443. = 0.36696 Destroy NaCl : 1727070. / 4711333. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.16981096 Potential at right wall /kT = -1.17728922 ------------------------------------------------------------------------ Potential at left wall /mV = 30.240595 Potential at right wall /mV = -30.4339142 ________________________________________________________________________ Capacitance of left DL = 0.0331543116 Capacitance of right DL = 0.0329437122 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65340662 Capacitance of right DL [F/m2] = 1.64290402 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61354062 Adsorption of ion 1 on right wall = -5.05581946 Adsorption of ion 2 on left wall = -5.26063738 Adsorption of ion 2 on right wall = 6.7362175 ------------------------------------------------------------------------ net charge in left DL = -11.874178 8.35660941 net charge in right DL = 11.792037 -8.35660941 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.791414352 Relative adsorption of ion 1 on right wall = -0.605008469 Relative adsorption of ion 2 on left wall = -0.62951816 Relative adsorption of ion 2 on right wall = 0.806094573 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1575------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00783656754 Right electrode charge = -0.00783656754 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99822 Bulk concentration of Na = 0.99849 ________________________________________________________________________ Average electrode charge 1 = 0.00785551835 Average electrode charge 2 = -0.00785551835 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395464 -0.568954 -0.565669 ________________________________________________________________________ Electrode charge exchange: 0.0637178679 Move Jump Cl: 0.93422 0.36913 Na: 0.93430 0.36917 ________________________________________________________________________ Create NaCl : 1732606. / 4721379. = 0.36697 Destroy NaCl : 1732625. / 4726446. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.16963375 Potential at right wall /kT = -1.17690329 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2360139 Potential at right wall /mV = -30.4239378 ________________________________________________________________________ Capacitance of left DL = 0.0466516108 Capacitance of right DL = 0.0463634511 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65365713 Capacitance of right DL [F/m2] = 1.64344275 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61615117 Adsorption of ion 1 on right wall = -5.06666783 Adsorption of ion 2 on left wall = -5.2565806 Adsorption of ion 2 on right wall = 6.72699004 ------------------------------------------------------------------------ net charge in left DL = -11.8727318 11.7568489 net charge in right DL = 11.7936579 -11.7568489 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.562748678 Relative adsorption of ion 1 on right wall = -0.430954576 Relative adsorption of ion 2 on left wall = -0.447107949 Relative adsorption of ion 2 on right wall = 0.572176278 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1580------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00813634094 Right electrode charge = -0.00813634094 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 277 -1.00 3.0000 1.5000 Na ion: 277 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99853 ________________________________________________________________________ Average electrode charge 1 = 0.00785404364 Average electrode charge 2 = -0.00785404364 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395547 -0.568954 -0.565752 ________________________________________________________________________ Electrode charge exchange: 0.0637355101 Move Jump Cl: 0.93421 0.36913 Na: 0.93432 0.36917 ________________________________________________________________________ Create NaCl : 1738175. / 4736505. = 0.36697 Destroy NaCl : 1738198. / 4741501. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16904668 Potential at right wall /kT = -1.17570185 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2208377 Potential at right wall /mV = -30.3928795 ________________________________________________________________________ Capacitance of left DL = 0.0484605054 Capacitance of right DL = 0.0481861901 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65448756 Capacitance of right DL [F/m2] = 1.64512217 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61357556 Adsorption of ion 1 on right wall = -5.07479807 Adsorption of ion 2 on left wall = -5.25571503 Adsorption of ion 2 on right wall = 6.71647305 ------------------------------------------------------------------------ net charge in left DL = -11.8692906 12.2065854 net charge in right DL = 11.7912711 -12.2065854 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.541803898 Relative adsorption of ion 1 on right wall = -0.415742643 Relative adsorption of ion 2 on left wall = -0.430563901 Relative adsorption of ion 2 on right wall = 0.550233569 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1585------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00890153758 Right electrode charge = -0.00890153758 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99826 Bulk concentration of Na = 0.99853 ________________________________________________________________________ Average electrode charge 1 = 0.00785169587 Average electrode charge 2 = -0.00785169587 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395533 -0.568954 -0.565738 ________________________________________________________________________ Electrode charge exchange: 0.0637284256 Move Jump Cl: 0.93420 0.36913 Na: 0.93430 0.36919 ________________________________________________________________________ Create NaCl : 1743729. / 4751305. = 0.36700 Destroy NaCl : 1743751. / 4756563. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.16827282 Potential at right wall /kT = -1.17501147 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2008329 Potential at right wall /mV = -30.3750326 ________________________________________________________________________ Capacitance of left DL = 0.0530531785 Capacitance of right DL = 0.0527489205 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65558348 Capacitance of right DL [F/m2] = 1.64608877 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60848405 Adsorption of ion 1 on right wall = -5.07772862 Adsorption of ion 2 on left wall = -5.25849986 Adsorption of ion 2 on right wall = 6.70832743 ------------------------------------------------------------------------ net charge in left DL = -11.8669839 13.3545754 net charge in right DL = 11.7860561 -13.3545754 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.494847934 Relative adsorption of ion 1 on right wall = -0.380223891 Relative adsorption of ion 2 on left wall = -0.393760168 Relative adsorption of ion 2 on right wall = 0.502324276 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1590------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00879388063 Right electrode charge = -0.00879388063 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99828 Bulk concentration of Na = 0.99859 ________________________________________________________________________ Average electrode charge 1 = 0.00785183307 Average electrode charge 2 = -0.00785183307 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395610 -0.568954 -0.565815 ________________________________________________________________________ Electrode charge exchange: 0.0637406012 Move Jump Cl: 0.93416 0.36912 Na: 0.93428 0.36919 ________________________________________________________________________ Create NaCl : 1749249. / 4766387. = 0.36700 Destroy NaCl : 1749250. / 4771563. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.17017771 Potential at right wall /kT = -1.17695801 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2500758 Potential at right wall /mV = -30.4253522 ________________________________________________________________________ Capacitance of left DL = 0.0523262243 Capacitance of right DL = 0.0520247798 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65288842 Capacitance of right DL [F/m2] = 1.64336635 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60386606 Adsorption of ion 1 on right wall = -5.06894573 Adsorption of ion 2 on left wall = -5.26996656 Adsorption of ion 2 on right wall = 6.71349502 ------------------------------------------------------------------------ net charge in left DL = -11.8738326 13.1930625 net charge in right DL = 11.7824407 -13.1930625 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.500555958 Relative adsorption of ion 1 on right wall = -0.384212969 Relative adsorption of ion 2 on left wall = -0.399449828 Relative adsorption of ion 2 on right wall = 0.508865549 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1595------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00880143399 Right electrode charge = -0.00880143399 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99828 Bulk concentration of Na = 0.99859 ________________________________________________________________________ Average electrode charge 1 = 0.00785384191 Average electrode charge 2 = -0.00785384191 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395620 -0.568954 -0.565824 ________________________________________________________________________ Electrode charge exchange: 0.0637393251 Move Jump Cl: 0.93416 0.36914 Na: 0.93428 0.36919 ________________________________________________________________________ Create NaCl : 1754728. / 4781491. = 0.36698 Destroy NaCl : 1754724. / 4786569. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16751017 Potential at right wall /kT = -1.17384031 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1811175 Potential at right wall /mV = -30.3447572 ________________________________________________________________________ Capacitance of left DL = 0.0524908274 Capacitance of right DL = 0.0522077611 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65666496 Capacitance of right DL [F/m2] = 1.6477311 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60153473 Adsorption of ion 1 on right wall = -5.05434641 Adsorption of ion 2 on left wall = -5.27354444 Adsorption of ion 2 on right wall = 6.7285436 ------------------------------------------------------------------------ net charge in left DL = -11.8750792 13.2043945 net charge in right DL = 11.78289 -13.2043945 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.499949825 Relative adsorption of ion 1 on right wall = -0.382777598 Relative adsorption of ion 2 on left wall = -0.399377982 Relative adsorption of ion 2 on right wall = 0.509568507 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1600------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00751920042 Right electrode charge = -0.00751920042 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99858 ________________________________________________________________________ Average electrode charge 1 = 0.0078549029 Average electrode charge 2 = -0.0078549029 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395601 -0.568954 -0.565806 ________________________________________________________________________ Electrode charge exchange: 0.0637532951 Move Jump Cl: 0.93417 0.36914 Na: 0.93427 0.36919 ________________________________________________________________________ Create NaCl : 1760181. / 4796486. = 0.36697 Destroy NaCl : 1760191. / 4801460. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16959359 Potential at right wall /kT = -1.17579681 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2349758 Potential at right wall /mV = -30.3953342 ________________________________________________________________________ Capacitance of left DL = 0.04476384 Capacitance of right DL = 0.0445276769 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65371391 Capacitance of right DL [F/m2] = 1.64498932 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60491443 Adsorption of ion 1 on right wall = -5.05357526 Adsorption of ion 2 on left wall = -5.27208713 Adsorption of ion 2 on right wall = 6.73332329 ------------------------------------------------------------------------ net charge in left DL = -11.8770016 11.2807173 net charge in right DL = 11.7868986 -11.2807173 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.585504826 Relative adsorption of ion 1 on right wall = -0.447983503 Relative adsorption of ion 2 on left wall = -0.467353891 Relative adsorption of ion 2 on right wall = 0.596887867 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1605------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00862333892 Right electrode charge = -0.00862333892 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99828 Bulk concentration of Na = 0.99857 ________________________________________________________________________ Average electrode charge 1 = 0.00785450882 Average electrode charge 2 = -0.00785450882 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395594 -0.568954 -0.565799 ________________________________________________________________________ Electrode charge exchange: 0.0637543665 Move Jump Cl: 0.93416 0.36913 Na: 0.93428 0.36918 ________________________________________________________________________ Create NaCl : 1765650. / 4811455. = 0.36697 Destroy NaCl : 1765669. / 4816601. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.16921634 Potential at right wall /kT = -1.17511339 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2252237 Potential at right wall /mV = -30.3776672 ________________________________________________________________________ Capacitance of left DL = 0.0513536398 Capacitance of right DL = 0.0510959331 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65424747 Capacitance of right DL [F/m2] = 1.64594601 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60369418 Adsorption of ion 1 on right wall = -5.05201646 Adsorption of ion 2 on left wall = -5.26975237 Adsorption of ion 2 on right wall = 6.73666201 ------------------------------------------------------------------------ net charge in left DL = -11.8734465 12.9372065 net charge in right DL = 11.7886785 -12.9372065 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.510442048 Relative adsorption of ion 1 on right wall = -0.390502885 Relative adsorption of ion 2 on left wall = -0.407333095 Relative adsorption of ion 2 on right wall = 0.520719988 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1610------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00697030892 Right electrode charge = -0.00697030892 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 318 -1.00 3.0000 1.5000 Na ion: 318 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99838 Bulk concentration of Na = 0.99865 ________________________________________________________________________ Average electrode charge 1 = 0.00785491288 Average electrode charge 2 = -0.00785491288 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395779 -0.568954 -0.565984 ________________________________________________________________________ Electrode charge exchange: 0.0637562649 Move Jump Cl: 0.93417 0.36914 Na: 0.93426 0.36915 ________________________________________________________________________ Create NaCl : 1771101. / 4826496. = 0.36695 Destroy NaCl : 1771083. / 4831548. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.16888211 Potential at right wall /kT = -1.17480649 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2165836 Potential at right wall /mV = -30.3697336 ________________________________________________________________________ Capacitance of left DL = 0.0415213978 Capacitance of right DL = 0.0413120117 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65472049 Capacitance of right DL [F/m2] = 1.64637598 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60582858 Adsorption of ion 1 on right wall = -5.06537991 Adsorption of ion 2 on left wall = -5.26446827 Adsorption of ion 2 on right wall = 6.72698453 ------------------------------------------------------------------------ net charge in left DL = -11.8702968 10.4572401 net charge in right DL = 11.7923644 -10.4572401 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.631699042 Relative adsorption of ion 1 on right wall = -0.484389747 Relative adsorption of ion 2 on left wall = -0.503428074 Relative adsorption of ion 2 on right wall = 0.643284885 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1615------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00517757968 Right electrode charge = -0.00517757968 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99844 Bulk concentration of Na = 0.99869 ________________________________________________________________________ Average electrode charge 1 = 0.00785745008 Average electrode charge 2 = -0.00785745008 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395874 -0.568954 -0.566078 ________________________________________________________________________ Electrode charge exchange: 0.0637576324 Move Jump Cl: 0.93418 0.36912 Na: 0.93425 0.36913 ________________________________________________________________________ Create NaCl : 1776688. / 4841674. = 0.36696 Destroy NaCl : 1776683. / 4846564. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.1653144 Potential at right wall /kT = -1.17124545 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1243552 Potential at right wall /mV = -30.2776778 ________________________________________________________________________ Capacitance of left DL = 0.0309367246 Capacitance of right DL = 0.0307800647 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.65978657 Capacitance of right DL [F/m2] = 1.6513816 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60945641 Adsorption of ion 1 on right wall = -5.06230577 Adsorption of ion 2 on left wall = -5.26020709 Adsorption of ion 2 on right wall = 6.73290999 ------------------------------------------------------------------------ net charge in left DL = -11.8696635 7.76768931 net charge in right DL = 11.7952158 -7.76768931 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.850890933 Relative adsorption of ion 1 on right wall = -0.651713214 Relative adsorption of ion 2 on left wall = -0.677190716 Relative adsorption of ion 2 on right wall = 0.866784151 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1620------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00538028715 Right electrode charge = -0.00538028715 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99841 Bulk concentration of Na = 0.99865 ________________________________________________________________________ Average electrode charge 1 = 0.00785739335 Average electrode charge 2 = -0.00785739335 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395801 -0.568954 -0.566005 ________________________________________________________________________ Electrode charge exchange: 0.0637654246 Move Jump Cl: 0.93418 0.36912 Na: 0.93426 0.36912 ________________________________________________________________________ Create NaCl : 1782248. / 4856613. = 0.36697 Destroy NaCl : 1782265. / 4861846. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.16366096 Potential at right wall /kT = -1.16997324 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0816123 Potential at right wall /mV = -30.24479 ________________________________________________________________________ Capacitance of left DL = 0.0321936074 Capacitance of right DL = 0.0320199154 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66214495 Capacitance of right DL [F/m2] = 1.65317729 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60706626 Adsorption of ion 1 on right wall = -5.05857396 Adsorption of ion 2 on left wall = -5.25943752 Adsorption of ion 2 on right wall = 6.73754067 ------------------------------------------------------------------------ net charge in left DL = -11.8665038 8.07180218 net charge in right DL = 11.7961146 -8.07180218 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.818536693 Relative adsorption of ion 1 on right wall = -0.626696969 Relative adsorption of ion 2 on left wall = -0.651581568 Relative adsorption of ion 2 on right wall = 0.834700916 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1625------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103046525 Right electrode charge = -0.0103046525 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 314 -1.00 3.0000 1.5000 Na ion: 314 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99838 Bulk concentration of Na = 0.99862 ________________________________________________________________________ Average electrode charge 1 = 0.00785619119 Average electrode charge 2 = -0.00785619119 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395749 -0.568954 -0.565954 ________________________________________________________________________ Electrode charge exchange: 0.0637653296 Move Jump Cl: 0.93417 0.36913 Na: 0.93425 0.36913 ________________________________________________________________________ Create NaCl : 1787768. / 4871631. = 0.36698 Destroy NaCl : 1787754. / 4876919. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.16481844 Potential at right wall /kT = -1.17115328 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1115342 Potential at right wall /mV = -30.275295 ________________________________________________________________________ Capacitance of left DL = 0.06159788 Capacitance of right DL = 0.0612646936 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66049327 Capacitance of right DL [F/m2] = 1.65151157 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60750995 Adsorption of ion 1 on right wall = -5.06492667 Adsorption of ion 2 on left wall = -5.25704849 Adsorption of ion 2 on right wall = 6.73137859 ------------------------------------------------------------------------ net charge in left DL = -11.8645584 15.4596055 net charge in right DL = 11.7963053 -15.4596055 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.427404824 Relative adsorption of ion 1 on right wall = -0.327623281 Relative adsorption of ion 2 on left wall = -0.340050625 Relative adsorption of ion 2 on right wall = 0.43541723 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1630------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00916159811 Right electrode charge = -0.00916159811 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 327 -1.00 3.0000 1.5000 Na ion: 327 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99839 Bulk concentration of Na = 0.99861 ________________________________________________________________________ Average electrode charge 1 = 0.00785737577 Average electrode charge 2 = -0.00785737577 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395750 -0.568954 -0.565954 ________________________________________________________________________ Electrode charge exchange: 0.0637717182 Move Jump Cl: 0.93417 0.36914 Na: 0.93422 0.36913 ________________________________________________________________________ Create NaCl : 1793329. / 4886727. = 0.36698 Destroy NaCl : 1793302. / 4891907. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16404373 Potential at right wall /kT = -1.17029616 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0915074 Potential at right wall /mV = -30.2531378 ________________________________________________________________________ Capacitance of left DL = 0.0548015184 Capacitance of right DL = 0.0545087358 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66159838 Capacitance of right DL [F/m2] = 1.65272113 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60179819 Adsorption of ion 1 on right wall = -5.06535161 Adsorption of ion 2 on left wall = -5.26093174 Adsorption of ion 2 on right wall = 6.73498994 ------------------------------------------------------------------------ net charge in left DL = -11.8627299 13.7447325 net charge in right DL = 11.8003415 -13.7447325 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.480314782 Relative adsorption of ion 1 on right wall = -0.368530389 Relative adsorption of ion 2 on left wall = -0.382759849 Relative adsorption of ion 2 on right wall = 0.490005167 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1635------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00778023793 Right electrode charge = -0.00778023793 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99839 Bulk concentration of Na = 0.99859 ________________________________________________________________________ Average electrode charge 1 = 0.00785462359 Average electrode charge 2 = -0.00785462359 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395722 -0.568954 -0.565927 ________________________________________________________________________ Electrode charge exchange: 0.0637608213 Move Jump Cl: 0.93416 0.36915 Na: 0.93425 0.36914 ________________________________________________________________________ Create NaCl : 1798806. / 4901872. = 0.36696 Destroy NaCl : 1798818. / 4906835. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16379242 Potential at right wall /kT = -1.1699319 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0850106 Potential at right wall /mV = -30.2437215 ________________________________________________________________________ Capacitance of left DL = 0.0465487484 Capacitance of right DL = 0.0463044731 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6619572 Capacitance of right DL [F/m2] = 1.6532357 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61160089 Adsorption of ion 1 on right wall = -5.07180961 Adsorption of ion 2 on left wall = -5.24514964 Adsorption of ion 2 on right wall = 6.72627809 ------------------------------------------------------------------------ net charge in left DL = -11.8567505 11.6723401 net charge in right DL = 11.7980877 -11.6723401 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566433194 Relative adsorption of ion 1 on right wall = -0.434515235 Relative adsorption of ion 2 on left wall = -0.44936573 Relative adsorption of ion 2 on right wall = 0.576257891 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1640------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00733128686 Right electrode charge = -0.00733128686 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99834 Bulk concentration of Na = 0.99854 ________________________________________________________________________ Average electrode charge 1 = 0.00785402549 Average electrode charge 2 = -0.00785402549 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395624 -0.568954 -0.565829 ________________________________________________________________________ Electrode charge exchange: 0.0637496096 Move Jump Cl: 0.93416 0.36917 Na: 0.93425 0.36914 ________________________________________________________________________ Create NaCl : 1804359. / 4916883. = 0.36697 Destroy NaCl : 1804348. / 4921983. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16262868 Potential at right wall /kT = -1.16865708 ------------------------------------------------------------------------ Potential at left wall /mV = 30.054927 Potential at right wall /mV = -30.2107664 ________________________________________________________________________ Capacitance of left DL = 0.0439066027 Capacitance of right DL = 0.0436801146 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66362074 Capacitance of right DL [F/m2] = 1.65503911 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61518453 Adsorption of ion 1 on right wall = -5.06282273 Adsorption of ion 2 on left wall = -5.23933309 Adsorption of ion 2 on right wall = 6.73414968 ------------------------------------------------------------------------ net charge in left DL = -11.8545176 10.9987991 net charge in right DL = 11.7969724 -10.9987991 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.601446076 Relative adsorption of ion 1 on right wall = -0.460306867 Relative adsorption of ion 2 on left wall = -0.476355015 Relative adsorption of ion 2 on right wall = 0.61226227 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1645------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00631255886 Right electrode charge = -0.00631255886 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99835 Bulk concentration of Na = 0.99856 ________________________________________________________________________ Average electrode charge 1 = 0.00785316602 Average electrode charge 2 = -0.00785316602 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395656 -0.568954 -0.565860 ________________________________________________________________________ Electrode charge exchange: 0.0637519983 Move Jump Cl: 0.93416 0.36917 Na: 0.93424 0.36914 ________________________________________________________________________ Create NaCl : 1809852. / 4931867. = 0.36697 Destroy NaCl : 1809864. / 4937014. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.15788712 Potential at right wall /kT = -1.16412511 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9323538 Potential at right wall /mV = -30.093611 ________________________________________________________________________ Capacitance of left DL = 0.0379603204 Capacitance of right DL = 0.0377569093 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67043328 Capacitance of right DL [F/m2] = 1.66148223 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.6122158 Adsorption of ion 1 on right wall = -5.0671994 Adsorption of ion 2 on left wall = -5.23958588 Adsorption of ion 2 on right wall = 6.72357835 ------------------------------------------------------------------------ net charge in left DL = -11.8518017 9.47044739 net charge in right DL = 11.7907778 -9.47044739 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.69819466 Relative adsorption of ion 1 on right wall = -0.535053856 Relative adsorption of ion 2 on left wall = -0.553256427 Relative adsorption of ion 2 on right wall = 0.709953614 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1650------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00797517416 Right electrode charge = -0.00797517416 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 271 -1.00 3.0000 1.5000 Na ion: 271 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99827 Bulk concentration of Na = 0.99849 ________________________________________________________________________ Average electrode charge 1 = 0.00785291842 Average electrode charge 2 = -0.00785291842 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395505 -0.568954 -0.565710 ________________________________________________________________________ Electrode charge exchange: 0.0637552955 Move Jump Cl: 0.93417 0.36918 Na: 0.93424 0.36913 ________________________________________________________________________ Create NaCl : 1815266. / 4946773. = 0.36696 Destroy NaCl : 1815295. / 4951987. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15965203 Potential at right wall /kT = -1.16563885 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9779783 Potential at right wall /mV = -30.1327424 ________________________________________________________________________ Capacitance of left DL = 0.0478854016 Capacitance of right DL = 0.0476394585 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66789099 Capacitance of right DL [F/m2] = 1.65932458 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62098329 Adsorption of ion 1 on right wall = -5.05350287 Adsorption of ion 2 on left wall = -5.23451745 Adsorption of ion 2 on right wall = 6.73528386 ------------------------------------------------------------------------ net charge in left DL = -11.8555007 11.9647941 net charge in right DL = 11.7887867 -11.9647941 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.553372102 Relative adsorption of ion 1 on right wall = -0.422364381 Relative adsorption of ion 2 on left wall = -0.437493315 Relative adsorption of ion 2 on right wall = 0.562925177 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1655------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0074939591 Right electrode charge = -0.0074939591 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99828 Bulk concentration of Na = 0.99851 ________________________________________________________________________ Average electrode charge 1 = 0.00785208929 Average electrode charge 2 = -0.00785208929 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395528 -0.568954 -0.565733 ________________________________________________________________________ Electrode charge exchange: 0.0637433021 Move Jump Cl: 0.93417 0.36917 Na: 0.93423 0.36915 ________________________________________________________________________ Create NaCl : 1820785. / 4961752. = 0.36696 Destroy NaCl : 1820804. / 4967026. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15990167 Potential at right wall /kT = -1.16606602 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9844316 Potential at right wall /mV = -30.1437851 ________________________________________________________________________ Capacitance of left DL = 0.0449863541 Capacitance of right DL = 0.0447485361 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66753203 Capacitance of right DL [F/m2] = 1.65871671 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61921253 Adsorption of ion 1 on right wall = -5.05003893 Adsorption of ion 2 on left wall = -5.23597354 Adsorption of ion 2 on right wall = 6.73748748 ------------------------------------------------------------------------ net charge in left DL = -11.8551861 11.2428489 net charge in right DL = 11.7875264 -11.2428489 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.588748688 Relative adsorption of ion 1 on right wall = -0.449177871 Relative adsorption of ion 2 on left wall = -0.465715905 Relative adsorption of ion 2 on right wall = 0.599268704 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1660------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00883367826 Right electrode charge = -0.00883367826 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99838 Bulk concentration of Na = 0.99860 ________________________________________________________________________ Average electrode charge 1 = 0.00785320429 Average electrode charge 2 = -0.00785320429 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395720 -0.568954 -0.565925 ________________________________________________________________________ Electrode charge exchange: 0.0637465319 Move Jump Cl: 0.93418 0.36916 Na: 0.93423 0.36914 ________________________________________________________________________ Create NaCl : 1826156. / 4976860. = 0.36693 Destroy NaCl : 1826151. / 4981892. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.16108603 Potential at right wall /kT = -1.1674073 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0150483 Potential at right wall /mV = -30.1784584 ________________________________________________________________________ Capacitance of left DL = 0.0529746175 Capacitance of right DL = 0.0526877709 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66583107 Capacitance of right DL [F/m2] = 1.65681094 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61702832 Adsorption of ion 1 on right wall = -5.0631524 Adsorption of ion 2 on left wall = -5.23932175 Adsorption of ion 2 on right wall = 6.72817895 ------------------------------------------------------------------------ net charge in left DL = -11.8563501 13.2527691 net charge in right DL = 11.7913314 -13.2527691 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.499294015 Relative adsorption of ion 1 on right wall = -0.382044866 Relative adsorption of ion 2 on left wall = -0.395337887 Relative adsorption of ion 2 on right wall = 0.50768099 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1665------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00818881115 Right electrode charge = -0.00818881115 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99838 Bulk concentration of Na = 0.99859 ________________________________________________________________________ Average electrode charge 1 = 0.00785358626 Average electrode charge 2 = -0.00785358626 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395714 -0.568954 -0.565918 ________________________________________________________________________ Electrode charge exchange: 0.0637551263 Move Jump Cl: 0.93418 0.36916 Na: 0.93423 0.36915 ________________________________________________________________________ Create NaCl : 1831719. / 4991950. = 0.36693 Destroy NaCl : 1831710. / 4996859. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.15956235 Potential at right wall /kT = -1.16588665 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9756599 Potential at right wall /mV = -30.1391483 ________________________________________________________________________ Capacitance of left DL = 0.0491719467 Capacitance of right DL = 0.0489052157 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66801999 Capacitance of right DL [F/m2] = 1.6589719 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61844524 Adsorption of ion 1 on right wall = -5.06261722 Adsorption of ion 2 on left wall = -5.23611287 Adsorption of ion 2 on right wall = 6.72974799 ------------------------------------------------------------------------ net charge in left DL = -11.8545581 12.2853041 net charge in right DL = 11.7923652 -12.2853041 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.538728646 Relative adsorption of ion 1 on right wall = -0.412087253 Relative adsorption of ion 2 on left wall = -0.426209464 Relative adsorption of ion 2 on right wall = 0.547788474 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1670------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00790202302 Right electrode charge = -0.00790202302 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99835 Bulk concentration of Na = 0.99858 ________________________________________________________________________ Average electrode charge 1 = 0.00785356526 Average electrode charge 2 = -0.00785356526 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395679 -0.568954 -0.565884 ________________________________________________________________________ Electrode charge exchange: 0.0637533971 Move Jump Cl: 0.93419 0.36917 Na: 0.93423 0.36916 ________________________________________________________________________ Create NaCl : 1837197. / 5006933. = 0.36693 Destroy NaCl : 1837196. / 5011890. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.15775525 Potential at right wall /kT = -1.16396139 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9289447 Potential at right wall /mV = -30.0893787 ________________________________________________________________________ Capacitance of left DL = 0.0475239122 Capacitance of right DL = 0.0472705188 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67062355 Capacitance of right DL [F/m2] = 1.66171593 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62233888 Adsorption of ion 1 on right wall = -5.054772 Adsorption of ion 2 on left wall = -5.23374533 Adsorption of ion 2 on right wall = 6.73333232 ------------------------------------------------------------------------ net charge in left DL = -11.8560842 11.8550488 net charge in right DL = 11.7881043 -11.8550488 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.558609163 Relative adsorption of ion 1 on right wall = -0.426381375 Relative adsorption of ion 2 on left wall = -0.441478177 Relative adsorption of ion 2 on right wall = 0.567971709 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1675------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00540382223 Right electrode charge = -0.00540382223 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99841 Bulk concentration of Na = 0.99864 ________________________________________________________________________ Average electrode charge 1 = 0.00785215019 Average electrode charge 2 = -0.00785215019 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395795 -0.568954 -0.565999 ________________________________________________________________________ Electrode charge exchange: 0.0637515248 Move Jump Cl: 0.93419 0.36917 Na: 0.93423 0.36913 ________________________________________________________________________ Create NaCl : 1842672. / 5021898. = 0.36693 Destroy NaCl : 1842669. / 5026916. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.15869438 Potential at right wall /kT = -1.16491218 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9532222 Potential at right wall /mV = -30.1139574 ________________________________________________________________________ Capacitance of left DL = 0.0324730292 Capacitance of right DL = 0.0322997024 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66926949 Capacitance of right DL [F/m2] = 1.66035966 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61031688 Adsorption of ion 1 on right wall = -5.06181536 Adsorption of ion 2 on left wall = -5.24380163 Adsorption of ion 2 on right wall = 6.72538901 ------------------------------------------------------------------------ net charge in left DL = -11.8541185 8.1071108 net charge in right DL = 11.7872044 -8.1071108 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.815372708 Relative adsorption of ion 1 on right wall = -0.624367359 Relative adsorption of ion 2 on left wall = -0.646815094 Relative adsorption of ion 2 on right wall = 0.829566683 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1680------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00961234304 Right electrode charge = -0.00961234304 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99841 Bulk concentration of Na = 0.99865 ________________________________________________________________________ Average electrode charge 1 = 0.0078516704 Average electrode charge 2 = -0.0078516704 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395812 -0.568954 -0.566017 ________________________________________________________________________ Electrode charge exchange: 0.0637581267 Move Jump Cl: 0.93419 0.36919 Na: 0.93423 0.36913 ________________________________________________________________________ Create NaCl : 1848189. / 5036794. = 0.36694 Destroy NaCl : 1848197. / 5041948. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.15964154 Potential at right wall /kT = -1.16543501 ------------------------------------------------------------------------ Potential at left wall /mV = 29.977707 Potential at right wall /mV = -30.1274732 ________________________________________________________________________ Capacitance of left DL = 0.0577159899 Capacitance of right DL = 0.057429079 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66790608 Capacitance of right DL [F/m2] = 1.65961479 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60788778 Adsorption of ion 1 on right wall = -5.07024272 Adsorption of ion 2 on left wall = -5.24782415 Adsorption of ion 2 on right wall = 6.71500229 ------------------------------------------------------------------------ net charge in left DL = -11.8557119 14.4209648 net charge in right DL = 11.785245 -14.4209648 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.458213988 Relative adsorption of ion 1 on right wall = -0.351588316 Relative adsorption of ion 2 on left wall = -0.363902431 Relative adsorption of ion 2 on right wall = 0.465641681 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1685------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00737086717 Right electrode charge = -0.00737086717 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99840 Bulk concentration of Na = 0.99867 ________________________________________________________________________ Average electrode charge 1 = 0.00784992684 Average electrode charge 2 = -0.00784992684 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395815 -0.568954 -0.566019 ________________________________________________________________________ Electrode charge exchange: 0.0637590708 Move Jump Cl: 0.93419 0.36920 Na: 0.93424 0.36914 ________________________________________________________________________ Create NaCl : 1853731. / 5051839. = 0.36694 Destroy NaCl : 1853740. / 5056689. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.15699398 Potential at right wall /kT = -1.16317727 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9092654 Potential at right wall /mV = -30.0691086 ________________________________________________________________________ Capacitance of left DL = 0.0443586313 Capacitance of right DL = 0.044122827 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67172277 Capacitance of right DL [F/m2] = 1.66283612 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61343974 Adsorption of ion 1 on right wall = -5.06704117 Adsorption of ion 2 on left wall = -5.24153509 Adsorption of ion 2 on right wall = 6.71046065 ------------------------------------------------------------------------ net charge in left DL = -11.8549748 11.0581796 net charge in right DL = 11.7775018 -11.0581796 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.598058628 Relative adsorption of ion 1 on right wall = -0.458216573 Relative adsorption of ion 2 on left wall = -0.473996198 Relative adsorption of ion 2 on right wall = 0.606832307 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1690------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00648695455 Right electrode charge = -0.00648695455 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99844 Bulk concentration of Na = 0.99870 ________________________________________________________________________ Average electrode charge 1 = 0.00784905569 Average electrode charge 2 = -0.00784905569 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395882 -0.568954 -0.566086 ________________________________________________________________________ Electrode charge exchange: 0.0637596329 Move Jump Cl: 0.93419 0.36920 Na: 0.93423 0.36915 ________________________________________________________________________ Create NaCl : 1859240. / 5066838. = 0.36694 Destroy NaCl : 1859268. / 5071870. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15829385 Potential at right wall /kT = -1.16419116 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9428681 Potential at right wall /mV = -30.0953186 ________________________________________________________________________ Capacitance of left DL = 0.0389953441 Capacitance of right DL = 0.0387978098 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66984672 Capacitance of right DL [F/m2] = 1.66138796 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60047403 Adsorption of ion 1 on right wall = -5.06689422 Adsorption of ion 2 on left wall = -5.25360841 Adsorption of ion 2 on right wall = 6.71076753 ------------------------------------------------------------------------ net charge in left DL = -11.8540824 9.73208538 net charge in right DL = 11.7776617 -9.73208538 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.67821785 Relative adsorption of ion 1 on right wall = -0.520638077 Relative adsorption of ion 2 on left wall = -0.539823502 Relative adsorption of ion 2 on right wall = 0.689550827 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1695------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00753695062 Right electrode charge = -0.00753695062 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99854 Bulk concentration of Na = 0.99882 ________________________________________________________________________ Average electrode charge 1 = 0.00784943155 Average electrode charge 2 = -0.00784943155 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396117 -0.568954 -0.566322 ________________________________________________________________________ Electrode charge exchange: 0.0637586099 Move Jump Cl: 0.93420 0.36920 Na: 0.93423 0.36913 ________________________________________________________________________ Create NaCl : 1864713. / 5081782. = 0.36694 Destroy NaCl : 1864724. / 5086834. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.1588632 Potential at right wall /kT = -1.16483425 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9575863 Potential at right wall /mV = -30.1119428 ________________________________________________________________________ Capacitance of left DL = 0.0452849768 Capacitance of right DL = 0.045052842 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66902632 Capacitance of right DL [F/m2] = 1.66047074 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59752975 Adsorption of ion 1 on right wall = -5.07833481 Adsorption of ion 2 on left wall = -5.26034336 Adsorption of ion 2 on right wall = 6.69757448 ------------------------------------------------------------------------ net charge in left DL = -11.8578731 11.3073471 net charge in right DL = 11.7759093 -11.3073471 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.583472822 Relative adsorption of ion 1 on right wall = -0.449118148 Relative adsorption of ion 2 on left wall = -0.465214634 Relative adsorption of ion 2 on right wall = 0.592320586 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1700------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00612996561 Right electrode charge = -0.00612996561 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99856 Bulk concentration of Na = 0.99884 ________________________________________________________________________ Average electrode charge 1 = 0.00784812004 Average electrode charge 2 = -0.00784812004 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396142 -0.568954 -0.566346 ________________________________________________________________________ Electrode charge exchange: 0.0637665585 Move Jump Cl: 0.93420 0.36921 Na: 0.93423 0.36913 ________________________________________________________________________ Create NaCl : 1870212. / 5096885. = 0.36693 Destroy NaCl : 1870224. / 5101787. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15517148 Potential at right wall /kT = -1.16064634 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8621522 Potential at right wall /mV = -30.0036819 ________________________________________________________________________ Capacitance of left DL = 0.0369489611 Capacitance of right DL = 0.03677467 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67436023 Capacitance of right DL [F/m2] = 1.66646214 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58201089 Adsorption of ion 1 on right wall = -5.06648284 Adsorption of ion 2 on left wall = -5.27059706 Adsorption of ion 2 on right wall = 6.70503686 ------------------------------------------------------------------------ net charge in left DL = -11.8526079 9.19651098 net charge in right DL = 11.7715197 -9.19651098 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.715707392 Relative adsorption of ion 1 on right wall = -0.550913585 Relative adsorption of ion 2 on left wall = -0.573108331 Relative adsorption of ion 2 on right wall = 0.729084854 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1705------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00631618207 Right electrode charge = -0.00631618207 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99856 Bulk concentration of Na = 0.99885 ________________________________________________________________________ Average electrode charge 1 = 0.00785044329 Average electrode charge 2 = -0.00785044329 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396160 -0.568954 -0.566365 ________________________________________________________________________ Electrode charge exchange: 0.0637733814 Move Jump Cl: 0.93421 0.36921 Na: 0.93424 0.36914 ________________________________________________________________________ Create NaCl : 1875671. / 5111909. = 0.36692 Destroy NaCl : 1875684. / 5116676. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15823984 Potential at right wall /kT = -1.16368634 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9414718 Potential at right wall /mV = -30.0822683 ________________________________________________________________________ Capacitance of left DL = 0.0379705418 Capacitance of right DL = 0.0377928252 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66992459 Capacitance of right DL [F/m2] = 1.6621087 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.591757 Adsorption of ion 1 on right wall = -5.07481964 Adsorption of ion 2 on left wall = -5.26776922 Adsorption of ion 2 on right wall = 6.70081953 ------------------------------------------------------------------------ net charge in left DL = -11.8595262 9.47588313 net charge in right DL = 11.7756392 -9.47588313 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.69563511 Relative adsorption of ion 1 on right wall = -0.535551101 Relative adsorption of ion 2 on left wall = -0.555913275 Relative adsorption of ion 2 on right wall = 0.707144595 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1710------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0089176091 Right electrode charge = -0.0089176091 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99856 Bulk concentration of Na = 0.99884 ________________________________________________________________________ Average electrode charge 1 = 0.00785069842 Average electrode charge 2 = -0.00785069842 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396152 -0.568954 -0.566357 ________________________________________________________________________ Electrode charge exchange: 0.0637726553 Move Jump Cl: 0.93421 0.36920 Na: 0.93424 0.36914 ________________________________________________________________________ Create NaCl : 1881176. / 5127018. = 0.36691 Destroy NaCl : 1881193. / 5131715. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15812601 Potential at right wall /kT = -1.16332512 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9385293 Potential at right wall /mV = -30.0729307 ________________________________________________________________________ Capacitance of left DL = 0.0536146245 Capacitance of right DL = 0.0533750109 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67008872 Capacitance of right DL [F/m2] = 1.66262478 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59593434 Adsorption of ion 1 on right wall = -5.07840475 Adsorption of ion 2 on left wall = -5.26359347 Adsorption of ion 2 on right wall = 6.69771735 ------------------------------------------------------------------------ net charge in left DL = -11.8595278 13.3786868 net charge in right DL = 11.7761221 -13.3786868 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.49301807 Relative adsorption of ion 1 on right wall = -0.37958918 Relative adsorption of ion 2 on left wall = -0.39343125 Relative adsorption of ion 2 on right wall = 0.500625917 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1715------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100753223 Right electrode charge = -0.0100753223 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99858 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.00785235393 Average electrode charge 2 = -0.00785235393 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396205 -0.568954 -0.566410 ________________________________________________________________________ Electrode charge exchange: 0.063778166 Move Jump Cl: 0.93420 0.36920 Na: 0.93424 0.36912 ________________________________________________________________________ Create NaCl : 1886677. / 5142025. = 0.36691 Destroy NaCl : 1886679. / 5146737. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15573152 Potential at right wall /kT = -1.16142488 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8766297 Potential at right wall /mV = -30.0238078 ________________________________________________________________________ Capacitance of left DL = 0.0607005523 Capacitance of right DL = 0.0604029952 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67354888 Capacitance of right DL [F/m2] = 1.66534506 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59672477 Adsorption of ion 1 on right wall = -5.07550876 Adsorption of ion 2 on left wall = -5.26595966 Adsorption of ion 2 on right wall = 6.69913791 ------------------------------------------------------------------------ net charge in left DL = -11.8626844 15.1155517 net charge in right DL = 11.7746467 -15.1155517 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.436419716 Relative adsorption of ion 1 on right wall = -0.335780583 Relative adsorption of ion 2 on left wall = -0.348380249 Relative adsorption of ion 2 on right wall = 0.443195065 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1720------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0092194432 Right electrode charge = -0.0092194432 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 273 -1.00 3.0000 1.5000 Na ion: 273 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99858 Bulk concentration of Na = 0.99889 ________________________________________________________________________ Average electrode charge 1 = 0.00785569098 Average electrode charge 2 = -0.00785569098 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396219 -0.568954 -0.566423 ________________________________________________________________________ Electrode charge exchange: 0.0637751705 Move Jump Cl: 0.93419 0.36919 Na: 0.93423 0.36912 ________________________________________________________________________ Create NaCl : 1892102. / 5156986. = 0.36690 Destroy NaCl : 1892129. / 5161576. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15776158 Potential at right wall /kT = -1.16297231 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9291085 Potential at right wall /mV = -30.0638103 ________________________________________________________________________ Capacitance of left DL = 0.0554467648 Capacitance of right DL = 0.055198334 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67061441 Capacitance of right DL [F/m2] = 1.66312918 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59368478 Adsorption of ion 1 on right wall = -5.06906285 Adsorption of ion 2 on left wall = -5.27553645 Adsorption of ion 2 on right wall = 6.71131583 ------------------------------------------------------------------------ net charge in left DL = -11.8692212 13.8315149 net charge in right DL = 11.7803787 -13.8315149 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.476714578 Relative adsorption of ion 1 on right wall = -0.366486455 Relative adsorption of ion 2 on left wall = -0.381414219 Relative adsorption of ion 2 on right wall = 0.485219145 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1725------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00811097471 Right electrode charge = -0.00811097471 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99851 Bulk concentration of Na = 0.99883 ________________________________________________________________________ Average electrode charge 1 = 0.00785517859 Average electrode charge 2 = -0.00785517859 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396087 -0.568954 -0.566292 ________________________________________________________________________ Electrode charge exchange: 0.0637782486 Move Jump Cl: 0.93419 0.36921 Na: 0.93424 0.36911 ________________________________________________________________________ Create NaCl : 1897623. / 5171889. = 0.36691 Destroy NaCl : 1897631. / 5176656. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.15722955 Potential at right wall /kT = -1.16256277 ------------------------------------------------------------------------ Potential at left wall /mV = 29.915355 Potential at right wall /mV = -30.0532233 ________________________________________________________________________ Capacitance of left DL = 0.0488027377 Capacitance of right DL = 0.0485788565 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67138247 Capacitance of right DL [F/m2] = 1.66371505 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59532062 Adsorption of ion 1 on right wall = -5.06617759 Adsorption of ion 2 on left wall = -5.27499706 Adsorption of ion 2 on right wall = 6.7111114 ------------------------------------------------------------------------ net charge in left DL = -11.8703177 12.1685296 net charge in right DL = 11.777289 -12.1685296 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.541998158 Relative adsorption of ion 1 on right wall = -0.416334411 Relative adsorption of ion 2 on left wall = -0.433495027 Relative adsorption of ion 2 on right wall = 0.551513751 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1730------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00813631905 Right electrode charge = -0.00813631905 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99852 Bulk concentration of Na = 0.99883 ________________________________________________________________________ Average electrode charge 1 = 0.0078545973 Average electrode charge 2 = -0.0078545973 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396099 -0.568954 -0.566304 ________________________________________________________________________ Electrode charge exchange: 0.0637815709 Move Jump Cl: 0.93420 0.36923 Na: 0.93424 0.36914 ________________________________________________________________________ Create NaCl : 1903097. / 5187055. = 0.36689 Destroy NaCl : 1903085. / 5191611. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.16089978 Potential at right wall /kT = -1.16625153 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0102335 Potential at right wall /mV = -30.1485807 ________________________________________________________________________ Capacitance of left DL = 0.0488004576 Capacitance of right DL = 0.0485765199 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66609833 Capacitance of right DL [F/m2] = 1.65845287 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59589961 Adsorption of ion 1 on right wall = -5.06689524 Adsorption of ion 2 on left wall = -5.27518382 Adsorption of ion 2 on right wall = 6.71333462 ------------------------------------------------------------------------ net charge in left DL = -11.8710834 12.2065526 net charge in right DL = 11.7802299 -12.2065526 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.540357286 Relative adsorption of ion 1 on right wall = -0.415096335 Relative adsorption of ion 2 on left wall = -0.432160006 Relative adsorption of ion 2 on right wall = 0.549977939 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1735------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00844419954 Right electrode charge = -0.00844419954 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99854 Bulk concentration of Na = 0.99884 ________________________________________________________________________ Average electrode charge 1 = 0.00785586506 Average electrode charge 2 = -0.00785586506 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396130 -0.568954 -0.566335 ________________________________________________________________________ Electrode charge exchange: 0.0637794251 Move Jump Cl: 0.93419 0.36923 Na: 0.93424 0.36914 ________________________________________________________________________ Create NaCl : 1908628. / 5202004. = 0.36690 Destroy NaCl : 1908637. / 5206584. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.1590526 Potential at right wall /kT = -1.16427346 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9624823 Potential at right wall /mV = -30.0974461 ________________________________________________________________________ Capacitance of left DL = 0.0507277962 Capacitance of right DL = 0.0505003213 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66875359 Capacitance of right DL [F/m2] = 1.66127052 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59598491 Adsorption of ion 1 on right wall = -5.06531106 Adsorption of ion 2 on left wall = -5.27450616 Adsorption of ion 2 on right wall = 6.71639345 ------------------------------------------------------------------------ net charge in left DL = -11.8704911 12.6684518 net charge in right DL = 11.7817045 -12.6684518 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.520662274 Relative adsorption of ion 1 on right wall = -0.399836629 Relative adsorption of ion 2 on left wall = -0.416349705 Relative adsorption of ion 2 on right wall = 0.530166872 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1740------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0050756319 Right electrode charge = -0.0050756319 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99855 Bulk concentration of Na = 0.99885 ________________________________________________________________________ Average electrode charge 1 = 0.00785570819 Average electrode charge 2 = -0.00785570819 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396156 -0.568954 -0.566360 ________________________________________________________________________ Electrode charge exchange: 0.0637729954 Move Jump Cl: 0.93419 0.36922 Na: 0.93425 0.36914 ________________________________________________________________________ Create NaCl : 1914128. / 5217082. = 0.36690 Destroy NaCl : 1914128. / 5221485. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.16072347 Potential at right wall /kT = -1.16557946 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0056757 Potential at right wall /mV = -30.1312072 ________________________________________________________________________ Capacitance of left DL = 0.0304475258 Capacitance of right DL = 0.0303206764 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66635141 Capacitance of right DL [F/m2] = 1.65940912 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58976557 Adsorption of ion 1 on right wall = -5.06172241 Adsorption of ion 2 on left wall = -5.28077679 Adsorption of ion 2 on right wall = 6.7215608 ------------------------------------------------------------------------ net charge in left DL = -11.8705424 7.61474166 net charge in right DL = 11.7832832 -7.61474166 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.865395815 Relative adsorption of ion 1 on right wall = -0.664726742 Relative adsorption of ion 2 on left wall = -0.693493887 Relative adsorption of ion 2 on right wall = 0.882703722 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1745------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00634035345 Right electrode charge = -0.00634035345 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99856 Bulk concentration of Na = 0.99886 ________________________________________________________________________ Average electrode charge 1 = 0.0078546214 Average electrode charge 2 = -0.0078546214 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396164 -0.568954 -0.566369 ________________________________________________________________________ Electrode charge exchange: 0.0637735028 Move Jump Cl: 0.93418 0.36920 Na: 0.93425 0.36916 ________________________________________________________________________ Create NaCl : 1919591. / 5232126. = 0.36689 Destroy NaCl : 1919600. / 5236502. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15783953 Potential at right wall /kT = -1.16265937 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9311236 Potential at right wall /mV = -30.0557204 ________________________________________________________________________ Capacitance of left DL = 0.0381290292 Capacitance of right DL = 0.0379709642 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67050194 Capacitance of right DL [F/m2] = 1.66357683 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58920058 Adsorption of ion 1 on right wall = -5.05164331 Adsorption of ion 2 on left wall = -5.27799114 Adsorption of ion 2 on right wall = 6.72772256 ------------------------------------------------------------------------ net charge in left DL = -11.8671917 9.51214635 net charge in right DL = 11.7793659 -9.51214635 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.692714381 Relative adsorption of ion 1 on right wall = -0.531072917 Relative adsorption of ion 2 on left wall = -0.55486858 Relative adsorption of ion 2 on right wall = 0.707277024 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1750------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101524804 Right electrode charge = -0.0101524804 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 247 -1.00 3.0000 1.5000 Na ion: 247 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99848 Bulk concentration of Na = 0.99880 ________________________________________________________________________ Average electrode charge 1 = 0.00785520766 Average electrode charge 2 = -0.00785520766 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396026 -0.568954 -0.566231 ________________________________________________________________________ Electrode charge exchange: 0.0637727179 Move Jump Cl: 0.93419 0.36921 Na: 0.93426 0.36918 ________________________________________________________________________ Create NaCl : 1925044. / 5247113. = 0.36688 Destroy NaCl : 1925097. / 5251535. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15843383 Potential at right wall /kT = -1.16317802 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9464867 Potential at right wall /mV = -30.0691279 ________________________________________________________________________ Capacitance of left DL = 0.0610227225 Capacitance of right DL = 0.0607738326 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66964494 Capacitance of right DL [F/m2] = 1.66283505 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60491058 Adsorption of ion 1 on right wall = -5.05226561 Adsorption of ion 2 on left wall = -5.26624937 Adsorption of ion 2 on right wall = 6.72563539 ------------------------------------------------------------------------ net charge in left DL = -11.87116 15.2313085 net charge in right DL = 11.777901 -15.2313085 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.433640392 Relative adsorption of ion 1 on right wall = -0.331702664 Relative adsorption of ion 2 on left wall = -0.345751606 Relative adsorption of ion 2 on right wall = 0.441566488 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1755------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00815511958 Right electrode charge = -0.00815511958 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99844 Bulk concentration of Na = 0.99877 ________________________________________________________________________ Average electrode charge 1 = 0.0078547405 Average electrode charge 2 = -0.0078547405 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395957 -0.568954 -0.566161 ________________________________________________________________________ Electrode charge exchange: 0.0637792699 Move Jump Cl: 0.93419 0.36924 Na: 0.93426 0.36921 ________________________________________________________________________ Create NaCl : 1930576. / 5262104. = 0.36688 Destroy NaCl : 1930591. / 5266456. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.15910902 Potential at right wall /kT = -1.16356483 ------------------------------------------------------------------------ Potential at left wall /mV = 29.963941 Potential at right wall /mV = -30.0791273 ________________________________________________________________________ Capacitance of left DL = 0.0489887885 Capacitance of right DL = 0.0488011887 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.66867236 Capacitance of right DL [F/m2] = 1.66228227 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59761905 Adsorption of ion 1 on right wall = -5.05356319 Adsorption of ion 2 on left wall = -5.27468212 Adsorption of ion 2 on right wall = 6.72254352 ------------------------------------------------------------------------ net charge in left DL = -11.8723012 12.2347581 net charge in right DL = 11.7761067 -12.2347581 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.539252103 Relative adsorption of ion 1 on right wall = -0.413049701 Relative adsorption of ion 2 on left wall = -0.431122713 Relative adsorption of ion 2 on right wall = 0.549462722 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1760------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00437736393 Right electrode charge = -0.00437736393 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99873 ________________________________________________________________________ Average electrode charge 1 = 0.00785361583 Average electrode charge 2 = -0.00785361583 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395898 -0.568954 -0.566103 ________________________________________________________________________ Electrode charge exchange: 0.0637770902 Move Jump Cl: 0.93420 0.36923 Na: 0.93425 0.36920 ________________________________________________________________________ Create NaCl : 1936086. / 5277100. = 0.36688 Destroy NaCl : 1936091. / 5281405. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.15736763 Potential at right wall /kT = -1.16239332 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9189246 Potential at right wall /mV = -30.0488429 ________________________________________________________________________ Capacitance of left DL = 0.0263349183 Capacitance of right DL = 0.0262210574 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67118306 Capacitance of right DL [F/m2] = 1.66395758 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59784337 Adsorption of ion 1 on right wall = -5.04702358 Adsorption of ion 2 on left wall = -5.26976802 Adsorption of ion 2 on right wall = 6.72847014 ------------------------------------------------------------------------ net charge in left DL = -11.8676114 6.56716171 net charge in right DL = 11.7754937 -6.56716171 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.00467198 Relative adsorption of ion 1 on right wall = -0.768524334 Relative adsorption of ion 2 on left wall = -0.802442251 Relative adsorption of ion 2 on right wall = 1.02456288 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1765------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00816543647 Right electrode charge = -0.00816543647 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99873 ________________________________________________________________________ Average electrode charge 1 = 0.00785529802 Average electrode charge 2 = -0.00785529802 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395895 -0.568954 -0.566099 ________________________________________________________________________ Electrode charge exchange: 0.0637757065 Move Jump Cl: 0.93419 0.36923 Na: 0.93424 0.36922 ________________________________________________________________________ Create NaCl : 1941645. / 5292106. = 0.36689 Destroy NaCl : 1941640. / 5296365. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.15796241 Potential at right wall /kT = -1.16290692 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9343 Potential at right wall /mV = -30.0621197 ________________________________________________________________________ Capacitance of left DL = 0.0490993334 Capacitance of right DL = 0.0488905703 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67032468 Capacitance of right DL [F/m2] = 1.6632227 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60716744 Adsorption of ion 1 on right wall = -5.05476131 Adsorption of ion 2 on left wall = -5.26261697 Adsorption of ion 2 on right wall = 6.72427656 ------------------------------------------------------------------------ net charge in left DL = -11.8697844 12.2502361 net charge in right DL = 11.7790379 -12.2502361 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.539350212 Relative adsorption of ion 1 on right wall = -0.412625624 Relative adsorption of ion 2 on left wall = -0.429593105 Relative adsorption of ion 2 on right wall = 0.548909956 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1770------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00746379424 Right electrode charge = -0.00746379424 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99876 ________________________________________________________________________ Average electrode charge 1 = 0.00785516065 Average electrode charge 2 = -0.00785516065 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395926 -0.568954 -0.566131 ________________________________________________________________________ Electrode charge exchange: 0.0637672218 Move Jump Cl: 0.93419 0.36923 Na: 0.93423 0.36923 ________________________________________________________________________ Create NaCl : 1947135. / 5307398. = 0.36687 Destroy NaCl : 1947140. / 5311077. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.15599757 Potential at right wall /kT = -1.16100026 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8835073 Potential at right wall /mV = -30.0128311 ________________________________________________________________________ Capacitance of left DL = 0.0449565929 Capacitance of right DL = 0.0447628771 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67316371 Capacitance of right DL [F/m2] = 1.66595413 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61110245 Adsorption of ion 1 on right wall = -5.04805532 Adsorption of ion 2 on left wall = -5.26042989 Adsorption of ion 2 on right wall = 6.72607797 ------------------------------------------------------------------------ net charge in left DL = -11.8715323 11.1975939 net charge in right DL = 11.7741333 -11.1975939 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.59040384 Relative adsorption of ion 1 on right wall = -0.450816073 Relative adsorption of ion 2 on left wall = -0.469782163 Relative adsorption of ion 2 on right wall = 0.600671718 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1775------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00681270704 Right electrode charge = -0.00681270704 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99874 ________________________________________________________________________ Average electrode charge 1 = 0.00785257594 Average electrode charge 2 = -0.00785257594 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395906 -0.568954 -0.566110 ________________________________________________________________________ Electrode charge exchange: 0.0637656123 Move Jump Cl: 0.93419 0.36924 Na: 0.93424 0.36923 ________________________________________________________________________ Create NaCl : 1952696. / 5322486. = 0.36688 Destroy NaCl : 1952703. / 5326072. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.15307419 Potential at right wall /kT = -1.15797332 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8079355 Potential at right wall /mV = -29.9345822 ________________________________________________________________________ Capacitance of left DL = 0.0411389416 Capacitance of right DL = 0.0409648917 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67740567 Capacitance of right DL [F/m2] = 1.67030893 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60682236 Adsorption of ion 1 on right wall = -5.04845196 Adsorption of ion 2 on left wall = -5.25736764 Adsorption of ion 2 on right wall = 6.72107044 ------------------------------------------------------------------------ net charge in left DL = -11.86419 10.2207971 net charge in right DL = 11.7695224 -10.2207971 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.646409695 Relative adsorption of ion 1 on right wall = -0.49393916 Relative adsorption of ion 2 on left wall = -0.514379413 Relative adsorption of ion 2 on right wall = 0.657587695 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1780------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00819434458 Right electrode charge = -0.00819434458 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99840 Bulk concentration of Na = 0.99873 ________________________________________________________________________ Average electrode charge 1 = 0.00785155279 Average electrode charge 2 = -0.00785155279 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395875 -0.568954 -0.566080 ________________________________________________________________________ Electrode charge exchange: 0.0637677127 Move Jump Cl: 0.93419 0.36924 Na: 0.93424 0.36924 ________________________________________________________________________ Create NaCl : 1958189. / 5337336. = 0.36689 Destroy NaCl : 1958196. / 5341135. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.15359057 Potential at right wall /kT = -1.15856189 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8212845 Potential at right wall /mV = -29.9497972 ________________________________________________________________________ Capacitance of left DL = 0.0494598934 Capacitance of right DL = 0.049247664 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67665481 Capacitance of right DL [F/m2] = 1.66946039 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60805622 Adsorption of ion 1 on right wall = -5.04449209 Adsorption of ion 2 on left wall = -5.25504352 Adsorption of ion 2 on right wall = 6.72413166 ------------------------------------------------------------------------ net charge in left DL = -11.8630997 12.2936056 net charge in right DL = 11.7686238 -12.2936056 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.537519782 Relative adsorption of ion 1 on right wall = -0.410334627 Relative adsorption of ion 2 on left wall = -0.427461534 Relative adsorption of ion 2 on right wall = 0.546961718 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1785------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00757817998 Right electrode charge = -0.00757817998 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99843 Bulk concentration of Na = 0.99875 ________________________________________________________________________ Average electrode charge 1 = 0.00785138902 Average electrode charge 2 = -0.00785138902 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395933 -0.568954 -0.566137 ________________________________________________________________________ Electrode charge exchange: 0.0637607297 Move Jump Cl: 0.93421 0.36925 Na: 0.93422 0.36924 ________________________________________________________________________ Create NaCl : 1963746. / 5352395. = 0.36689 Destroy NaCl : 1963756. / 5356143. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.15188222 Potential at right wall /kT = -1.15687939 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7771221 Potential at right wall /mV = -29.906303 ________________________________________________________________________ Capacitance of left DL = 0.0458086499 Capacitance of right DL = 0.0456107786 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67914145 Capacitance of right DL [F/m2] = 1.67188837 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60271446 Adsorption of ion 1 on right wall = -5.04828026 Adsorption of ion 2 on left wall = -5.25902006 Adsorption of ion 2 on right wall = 6.71884834 ------------------------------------------------------------------------ net charge in left DL = -11.8617345 11.3692017 net charge in right DL = 11.7671286 -11.3692017 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.580754449 Relative adsorption of ion 1 on right wall = -0.4440312 Relative adsorption of ion 2 on left wall = -0.462567224 Relative adsorption of ion 2 on right wall = 0.590969227 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1790------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00730644367 Right electrode charge = -0.00730644367 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99839 Bulk concentration of Na = 0.99871 ________________________________________________________________________ Average electrode charge 1 = 0.00785041704 Average electrode charge 2 = -0.00785041704 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395845 -0.568954 -0.566049 ________________________________________________________________________ Electrode charge exchange: 0.0637681849 Move Jump Cl: 0.93420 0.36926 Na: 0.93423 0.36925 ________________________________________________________________________ Create NaCl : 1969225. / 5367334. = 0.36689 Destroy NaCl : 1969216. / 5371228. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.15147207 Potential at right wall /kT = -1.15657525 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7665194 Potential at right wall /mV = -29.8984407 ________________________________________________________________________ Capacitance of left DL = 0.0441817876 Capacitance of right DL = 0.0439868437 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67973955 Capacitance of right DL [F/m2] = 1.67232802 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61113802 Adsorption of ion 1 on right wall = -5.05896254 Adsorption of ion 2 on left wall = -5.24838815 Adsorption of ion 2 on right wall = 6.7070707 ------------------------------------------------------------------------ net charge in left DL = -11.8595262 10.961528 net charge in right DL = 11.7660332 -10.961528 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.603121941 Relative adsorption of ion 1 on right wall = -0.461519832 Relative adsorption of ion 2 on left wall = -0.478800781 Relative adsorption of ion 2 on right wall = 0.611873703 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1795------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00786402709 Right electrode charge = -0.00786402709 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99843 Bulk concentration of Na = 0.99872 ________________________________________________________________________ Average electrode charge 1 = 0.00784912871 Average electrode charge 2 = -0.00784912871 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395899 -0.568954 -0.566103 ________________________________________________________________________ Electrode charge exchange: 0.0637786071 Move Jump Cl: 0.93420 0.36926 Na: 0.93423 0.36924 ________________________________________________________________________ Create NaCl : 1974647. / 5382394. = 0.36687 Destroy NaCl : 1974656. / 5386161. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.14923061 Potential at right wall /kT = -1.15407929 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7085758 Potential at right wall /mV = -29.8339182 ________________________________________________________________________ Capacitance of left DL = 0.0476462217 Capacitance of right DL = 0.0474460438 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68301572 Capacitance of right DL [F/m2] = 1.6759448 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59966587 Adsorption of ion 1 on right wall = -5.05568 Adsorption of ion 2 on left wall = -5.25311906 Adsorption of ion 2 on right wall = 6.70982384 ------------------------------------------------------------------------ net charge in left DL = -11.8527849 11.7980452 net charge in right DL = 11.7655038 -11.7980452 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.559386386 Relative adsorption of ion 1 on right wall = -0.428518446 Relative adsorption of ion 2 on left wall = -0.445253342 Relative adsorption of ion 2 on right wall = 0.568723354 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1800------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00773929402 Right electrode charge = -0.00773929402 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99841 Bulk concentration of Na = 0.99872 ________________________________________________________________________ Average electrode charge 1 = 0.00784881693 Average electrode charge 2 = -0.00784881693 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395875 -0.568954 -0.566079 ________________________________________________________________________ Electrode charge exchange: 0.0637810345 Move Jump Cl: 0.93419 0.36925 Na: 0.93423 0.36923 ________________________________________________________________________ Create NaCl : 1980185. / 5397567. = 0.36687 Destroy NaCl : 1980181. / 5400906. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.14802719 Potential at right wall /kT = -1.15294731 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6774664 Potential at right wall /mV = -29.8046554 ________________________________________________________________________ Capacitance of left DL = 0.0469396475 Capacitance of right DL = 0.0467393362 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68477994 Capacitance of right DL [F/m2] = 1.67759027 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60132249 Adsorption of ion 1 on right wall = -5.05371765 Adsorption of ion 2 on left wall = -5.25093036 Adsorption of ion 2 on right wall = 6.70982144 ------------------------------------------------------------------------ net charge in left DL = -11.8522529 11.6109138 net charge in right DL = 11.7635391 -11.6109138 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.568544612 Relative adsorption of ion 1 on right wall = -0.435255806 Relative adsorption of ion 2 on left wall = -0.452240921 Relative adsorption of ion 2 on right wall = 0.577889178 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1805------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00748034223 Right electrode charge = -0.00748034223 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99839 Bulk concentration of Na = 0.99870 ________________________________________________________________________ Average electrode charge 1 = 0.00784760954 Average electrode charge 2 = -0.00784760954 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395844 -0.568954 -0.566049 ________________________________________________________________________ Electrode charge exchange: 0.0637798072 Move Jump Cl: 0.93418 0.36924 Na: 0.93423 0.36921 ________________________________________________________________________ Create NaCl : 1985619. / 5412466. = 0.36686 Destroy NaCl : 1985610. / 5415915. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.14868689 Potential at right wall /kT = -1.15289382 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6945202 Potential at right wall /mV = -29.8032727 ________________________________________________________________________ Capacitance of left DL = 0.0453430212 Capacitance of right DL = 0.0451775639 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68381236 Capacitance of right DL [F/m2] = 1.6776681 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60527333 Adsorption of ion 1 on right wall = -5.05003516 Adsorption of ion 2 on left wall = -5.24611532 Adsorption of ion 2 on right wall = 6.71134174 ------------------------------------------------------------------------ net charge in left DL = -11.8513887 11.2224201 net charge in right DL = 11.7613769 -11.2224201 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.588578334 Relative adsorption of ion 1 on right wall = -0.449995198 Relative adsorption of ion 2 on left wall = -0.467467379 Relative adsorption of ion 2 on right wall = 0.598029807 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1810------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00804826427 Right electrode charge = -0.00804826427 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99846 Bulk concentration of Na = 0.99876 ________________________________________________________________________ Average electrode charge 1 = 0.00784837955 Average electrode charge 2 = -0.00784837955 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395971 -0.568954 -0.566175 ________________________________________________________________________ Electrode charge exchange: 0.0637767401 Move Jump Cl: 0.93419 0.36924 Na: 0.93424 0.36921 ________________________________________________________________________ Create NaCl : 1991027. / 5427469. = 0.36684 Destroy NaCl : 1991020. / 5430678. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.14919758 Potential at right wall /kT = -1.15342467 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7077219 Potential at right wall /mV = -29.8169957 ________________________________________________________________________ Capacitance of left DL = 0.0487638714 Capacitance of right DL = 0.0485851608 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68306409 Capacitance of right DL [F/m2] = 1.67689597 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61231445 Adsorption of ion 1 on right wall = -5.05413398 Adsorption of ion 2 on left wall = -5.24029304 Adsorption of ion 2 on right wall = 6.70892307 ------------------------------------------------------------------------ net charge in left DL = -11.8526075 12.0744479 net charge in right DL = 11.7630571 -12.0744479 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.547628718 Relative adsorption of ion 1 on right wall = -0.418580958 Relative adsorption of ion 2 on left wall = -0.433998561 Relative adsorption of ion 2 on right wall = 0.555629798 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1815------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00722949639 Right electrode charge = -0.00722949639 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99847 Bulk concentration of Na = 0.99876 ________________________________________________________________________ Average electrode charge 1 = 0.00784735252 Average electrode charge 2 = -0.00784735252 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.395977 -0.568954 -0.566181 ________________________________________________________________________ Electrode charge exchange: 0.0637833125 Move Jump Cl: 0.93419 0.36925 Na: 0.93423 0.36920 ________________________________________________________________________ Create NaCl : 1996483. / 5442440. = 0.36684 Destroy NaCl : 1996491. / 5445521. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.15063559 Potential at right wall /kT = -1.15531033 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7448957 Potential at right wall /mV = -29.8657417 ________________________________________________________________________ Capacitance of left DL = 0.043748271 Capacitance of right DL = 0.0435712521 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68096067 Capacitance of right DL [F/m2] = 1.67415899 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61517664 Adsorption of ion 1 on right wall = -5.05656358 Adsorption of ion 2 on left wall = -5.23548202 Adsorption of ion 2 on right wall = 6.70772358 ------------------------------------------------------------------------ net charge in left DL = -11.8506587 10.8460874 net charge in right DL = 11.7642872 -10.8460874 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.609913638 Relative adsorption of ion 1 on right wall = -0.466210845 Relative adsorption of ion 2 on left wall = -0.482706973 Relative adsorption of ion 2 on right wall = 0.618446388 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1820------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00670564361 Right electrode charge = -0.00670564361 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99855 Bulk concentration of Na = 0.99882 ________________________________________________________________________ Average electrode charge 1 = 0.00784711255 Average electrode charge 2 = -0.00784711255 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396118 -0.568954 -0.566322 ________________________________________________________________________ Electrode charge exchange: 0.063792916 Move Jump Cl: 0.93418 0.36925 Na: 0.93424 0.36921 ________________________________________________________________________ Create NaCl : 2002031. / 5457468. = 0.36684 Destroy NaCl : 2002051. / 5460616. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.14811843 Potential at right wall /kT = -1.15230835 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6798249 Potential at right wall /mV = -29.7881378 ________________________________________________________________________ Capacitance of left DL = 0.0406672151 Capacitance of right DL = 0.0405193447 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68464606 Capacitance of right DL [F/m2] = 1.6785205 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60526957 Adsorption of ion 1 on right wall = -5.05725566 Adsorption of ion 2 on left wall = -5.23979568 Adsorption of ion 2 on right wall = 6.70804411 ------------------------------------------------------------------------ net charge in left DL = -11.8450652 10.0601747 net charge in right DL = 11.7652998 -10.0601747 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.656576029 Relative adsorption of ion 1 on right wall = -0.502700579 Relative adsorption of ion 2 on left wall = -0.520845395 Relative adsorption of ion 2 on right wall = 0.666792009 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1825------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103265427 Right electrode charge = -0.0103265427 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.00784651127 Average electrode charge 2 = -0.00784651127 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396215 -0.568954 -0.566419 ________________________________________________________________________ Electrode charge exchange: 0.0637949572 Move Jump Cl: 0.93417 0.36924 Na: 0.93425 0.36922 ________________________________________________________________________ Create NaCl : 2007599. / 5472719. = 0.36684 Destroy NaCl : 2007591. / 5475408. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.15111904 Potential at right wall /kT = -1.15536195 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7573931 Potential at right wall /mV = -29.8670759 ________________________________________________________________________ Capacitance of left DL = 0.0624633631 Capacitance of right DL = 0.0622339749 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68025471 Capacitance of right DL [F/m2] = 1.6740842 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60070614 Adsorption of ion 1 on right wall = -5.05983555 Adsorption of ion 2 on left wall = -5.24769163 Adsorption of ion 2 on right wall = 6.70477554 ------------------------------------------------------------------------ net charge in left DL = -11.8483978 15.4924464 net charge in right DL = 11.7646111 -15.4924464 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.426059641 Relative adsorption of ion 1 on right wall = -0.326600165 Relative adsorption of ion 2 on left wall = -0.338725821 Relative adsorption of ion 2 on right wall = 0.432777069 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1830------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00919537295 Right electrode charge = -0.00919537295 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99866 Bulk concentration of Na = 0.99893 ________________________________________________________________________ Average electrode charge 1 = 0.00784720092 Average electrode charge 2 = -0.00784720092 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396340 -0.568954 -0.566545 ________________________________________________________________________ Electrode charge exchange: 0.0637912553 Move Jump Cl: 0.93418 0.36923 Na: 0.93426 0.36922 ________________________________________________________________________ Create NaCl : 2013090. / 5487923. = 0.36682 Destroy NaCl : 2013082. / 5490319. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.15318899 Potential at right wall /kT = -1.15744764 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8109032 Potential at right wall /mV = -29.9209927 ________________________________________________________________________ Capacitance of left DL = 0.0555212854 Capacitance of right DL = 0.0553170038 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67723868 Capacitance of right DL [F/m2] = 1.67106755 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60042255 Adsorption of ion 1 on right wall = -5.06442394 Adsorption of ion 2 on left wall = -5.24787752 Adsorption of ion 2 on right wall = 6.7052871 ------------------------------------------------------------------------ net charge in left DL = -11.8483001 13.7954034 net charge in right DL = 11.769711 -13.7954034 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478450856 Relative adsorption of ion 1 on right wall = -0.367109522 Relative adsorption of ion 2 on left wall = -0.380407689 Relative adsorption of ion 2 on right wall = 0.486052268 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1835------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00576300204 Right electrode charge = -0.00576300204 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99862 Bulk concentration of Na = 0.99891 ________________________________________________________________________ Average electrode charge 1 = 0.0078455852 Average electrode charge 2 = -0.0078455852 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396282 -0.568954 -0.566486 ________________________________________________________________________ Electrode charge exchange: 0.0637913144 Move Jump Cl: 0.93418 0.36925 Na: 0.93428 0.36921 ________________________________________________________________________ Create NaCl : 2018613. / 5502999. = 0.36682 Destroy NaCl : 2018621. / 5505254. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.15235646 Potential at right wall /kT = -1.15671446 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7893814 Potential at right wall /mV = -29.9020395 ________________________________________________________________________ Capacitance of left DL = 0.0348219099 Capacitance of right DL = 0.0346907159 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.67845043 Capacitance of right DL [F/m2] = 1.67212675 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.6120549 Adsorption of ion 1 on right wall = -5.05795864 Adsorption of ion 2 on left wall = -5.23564133 Adsorption of ion 2 on right wall = 6.70652197 ------------------------------------------------------------------------ net charge in left DL = -11.8476962 8.64597208 net charge in right DL = 11.7644806 -8.64597208 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.764755523 Relative adsorption of ion 1 on right wall = -0.585007514 Relative adsorption of ion 2 on left wall = -0.605558436 Relative adsorption of ion 2 on right wall = 0.77568166 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1840------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0081650292 Right electrode charge = -0.0081650292 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99860 Bulk concentration of Na = 0.99889 ________________________________________________________________________ Average electrode charge 1 = 0.00784503856 Average electrode charge 2 = -0.00784503856 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396239 -0.568954 -0.566444 ________________________________________________________________________ Electrode charge exchange: 0.0637879244 Move Jump Cl: 0.93418 0.36926 Na: 0.93429 0.36920 ________________________________________________________________________ Create NaCl : 2023990. / 5517882. = 0.36681 Destroy NaCl : 2023999. / 5520184. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.15092365 Potential at right wall /kT = -1.15528859 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7523423 Potential at right wall /mV = -29.8651795 ________________________________________________________________________ Capacitance of left DL = 0.0493971485 Capacitance of right DL = 0.0492105152 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68053995 Capacitance of right DL [F/m2] = 1.67419051 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61046171 Adsorption of ion 1 on right wall = -5.05004191 Adsorption of ion 2 on left wall = -5.23647498 Adsorption of ion 2 on right wall = 6.71174386 ------------------------------------------------------------------------ net charge in left DL = -11.8469367 12.2496251 net charge in right DL = 11.7617858 -12.2496251 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.539646043 Relative adsorption of ion 1 on right wall = -0.412260936 Relative adsorption of ion 2 on left wall = -0.427480428 Relative adsorption of ion 2 on right wall = 0.547914226 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1845------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00812547232 Right electrode charge = -0.00812547232 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99859 Bulk concentration of Na = 0.99887 ________________________________________________________________________ Average electrode charge 1 = 0.00784436967 Average electrode charge 2 = -0.00784436967 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396204 -0.568954 -0.566408 ________________________________________________________________________ Electrode charge exchange: 0.0637890948 Move Jump Cl: 0.93418 0.36925 Na: 0.93430 0.36918 ________________________________________________________________________ Create NaCl : 2029547. / 5532787. = 0.36682 Destroy NaCl : 2029562. / 5535385. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.15122756 Potential at right wall /kT = -1.15538226 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7601986 Potential at right wall /mV = -29.867601 ________________________________________________________________________ Capacitance of left DL = 0.0491448585 Capacitance of right DL = 0.0489681361 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68009631 Capacitance of right DL [F/m2] = 1.67405477 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60274162 Adsorption of ion 1 on right wall = -5.04166181 Adsorption of ion 2 on left wall = -5.24144475 Adsorption of ion 2 on right wall = 6.72128858 ------------------------------------------------------------------------ net charge in left DL = -11.8441864 12.1902797 net charge in right DL = 11.7629504 -12.1902797 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.541639879 Relative adsorption of ion 1 on right wall = -0.413580487 Relative adsorption of ion 2 on left wall = -0.429969196 Relative adsorption of ion 2 on right wall = 0.551364591 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1850------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0081629914 Right electrode charge = -0.0081629914 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99860 Bulk concentration of Na = 0.99887 ________________________________________________________________________ Average electrode charge 1 = 0.00784408331 Average electrode charge 2 = -0.00784408331 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396217 -0.568954 -0.566422 ________________________________________________________________________ Electrode charge exchange: 0.0637927171 Move Jump Cl: 0.93417 0.36925 Na: 0.93427 0.36918 ________________________________________________________________________ Create NaCl : 2034993. / 5547797. = 0.36681 Destroy NaCl : 2035009. / 5550364. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.1508892 Potential at right wall /kT = -1.1553135 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7514517 Potential at right wall /mV = -29.8658235 ________________________________________________________________________ Capacitance of left DL = 0.0493862984 Capacitance of right DL = 0.0491971726 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68059026 Capacitance of right DL [F/m2] = 1.67415441 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60534935 Adsorption of ion 1 on right wall = -5.04479173 Adsorption of ion 2 on left wall = -5.23706081 Adsorption of ion 2 on right wall = 6.71890892 ------------------------------------------------------------------------ net charge in left DL = -11.8424102 12.2465679 net charge in right DL = 11.7637006 -12.2465679 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.539363307 Relative adsorption of ion 1 on right wall = -0.411935146 Relative adsorption of ion 2 on left wall = -0.42763498 Relative adsorption of ion 2 on right wall = 0.548636074 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1855------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00671215408 Right electrode charge = -0.00671215408 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99867 Bulk concentration of Na = 0.99892 ________________________________________________________________________ Average electrode charge 1 = 0.00784309198 Average electrode charge 2 = -0.00784309198 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396329 -0.568954 -0.566534 ________________________________________________________________________ Electrode charge exchange: 0.0637969649 Move Jump Cl: 0.93418 0.36924 Na: 0.93427 0.36919 ________________________________________________________________________ Create NaCl : 2040480. / 5562863. = 0.36680 Destroy NaCl : 2040489. / 5565455. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.14947873 Potential at right wall /kT = -1.1538873 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7149898 Potential at right wall /mV = -29.8289549 ________________________________________________________________________ Capacitance of left DL = 0.0406585261 Capacitance of right DL = 0.0405031852 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68265244 Capacitance of right DL [F/m2] = 1.67622366 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59389613 Adsorption of ion 1 on right wall = -5.04874169 Adsorption of ion 2 on left wall = -5.24354335 Adsorption of ion 2 on right wall = 6.71507184 ------------------------------------------------------------------------ net charge in left DL = -11.8374395 10.0699421 net charge in right DL = 11.7638135 -10.0699421 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.654809738 Relative adsorption of ion 1 on right wall = -0.501367501 Relative adsorption of ion 2 on left wall = -0.520712364 Relative adsorption of ion 2 on right wall = 0.666843144 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1860------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00810526786 Right electrode charge = -0.00810526786 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99866 Bulk concentration of Na = 0.99891 ________________________________________________________________________ Average electrode charge 1 = 0.00784157131 Average electrode charge 2 = -0.00784157131 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396321 -0.568954 -0.566526 ________________________________________________________________________ Electrode charge exchange: 0.0638001901 Move Jump Cl: 0.93420 0.36924 Na: 0.93427 0.36917 ________________________________________________________________________ Create NaCl : 2046080. / 5577939. = 0.36682 Destroy NaCl : 2046076. / 5580574. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.14888283 Potential at right wall /kT = -1.15340639 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6995852 Potential at right wall /mV = -29.8165232 ________________________________________________________________________ Capacitance of left DL = 0.0491227066 Capacitance of right DL = 0.0489300512 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.6835252 Capacitance of right DL [F/m2] = 1.67692255 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58952243 Adsorption of ion 1 on right wall = -5.04462663 Adsorption of ion 2 on left wall = -5.24454673 Adsorption of ion 2 on right wall = 6.71742249 ------------------------------------------------------------------------ net charge in left DL = -11.8340692 12.1599679 net charge in right DL = 11.7620491 -12.1599679 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.541902948 Relative adsorption of ion 1 on right wall = -0.41485526 Relative adsorption of ion 2 on left wall = -0.431296101 Relative adsorption of ion 2 on right wall = 0.552421073 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1865------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00953044113 Right electrode charge = -0.00953044113 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99867 Bulk concentration of Na = 0.99891 ________________________________________________________________________ Average electrode charge 1 = 0.00784083527 Average electrode charge 2 = -0.00784083527 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396324 -0.568954 -0.566529 ________________________________________________________________________ Electrode charge exchange: 0.0637988094 Move Jump Cl: 0.93419 0.36924 Na: 0.93426 0.36917 ________________________________________________________________________ Create NaCl : 2051508. / 5592854. = 0.36681 Destroy NaCl : 2051525. / 5595690. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.14650659 Potential at right wall /kT = -1.15104291 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6381574 Potential at right wall /mV = -29.7554253 ________________________________________________________________________ Capacitance of left DL = 0.0578798107 Capacitance of right DL = 0.0576517029 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68701446 Capacitance of right DL [F/m2] = 1.68036583 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58529686 Adsorption of ion 1 on right wall = -5.04224348 Adsorption of ion 2 on left wall = -5.24428987 Adsorption of ion 2 on right wall = 6.71886612 ------------------------------------------------------------------------ net charge in left DL = -11.8295867 14.298091 net charge in right DL = 11.7611096 -14.298091 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.460571753 Relative adsorption of ion 1 on right wall = -0.352651516 Relative adsorption of ion 2 on left wall = -0.36678252 Relative adsorption of ion 2 on right wall = 0.469913508 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1870------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00867297125 Right electrode charge = -0.00867297125 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99866 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.00783960606 Average electrode charge 2 = -0.00783960606 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396286 -0.568954 -0.566491 ________________________________________________________________________ Electrode charge exchange: 0.0637941871 Move Jump Cl: 0.93419 0.36924 Na: 0.93426 0.36917 ________________________________________________________________________ Create NaCl : 2057132. / 5608001. = 0.36682 Destroy NaCl : 2057148. / 5610839. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.14415883 Potential at right wall /kT = -1.14900847 ------------------------------------------------------------------------ Potential at left wall /mV = 29.577466 Potential at right wall /mV = -29.7028332 ________________________________________________________________________ Capacitance of left DL = 0.052780347 Capacitance of right DL = 0.0525575762 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69047612 Capacitance of right DL [F/m2] = 1.6833411 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58955054 Adsorption of ion 1 on right wall = -5.03799032 Adsorption of ion 2 on left wall = -5.23479605 Adsorption of ion 2 on right wall = 6.7215892 ------------------------------------------------------------------------ net charge in left DL = -11.8243466 13.0116677 net charge in right DL = 11.7595795 -13.0116677 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.506433973 Relative adsorption of ion 1 on right wall = -0.387190209 Relative adsorption of ion 2 on left wall = -0.402315536 Relative adsorption of ion 2 on right wall = 0.516581685 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1875------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00918792693 Right electrode charge = -0.00918792693 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99869 Bulk concentration of Na = 0.99892 ________________________________________________________________________ Average electrode charge 1 = 0.0078405435 Average electrode charge 2 = -0.0078405435 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396361 -0.568954 -0.566565 ________________________________________________________________________ Electrode charge exchange: 0.0638016269 Move Jump Cl: 0.93418 0.36923 Na: 0.93426 0.36916 ________________________________________________________________________ Create NaCl : 2062618. / 5623063. = 0.36681 Destroy NaCl : 2062633. / 5625800. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.14511565 Potential at right wall /kT = -1.14968478 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6022005 Potential at right wall /mV = -29.7203165 ________________________________________________________________________ Capacitance of left DL = 0.0558674482 Capacitance of right DL = 0.055645417 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.68906362 Capacitance of right DL [F/m2] = 1.68235086 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58786279 Adsorption of ion 1 on right wall = -5.04071419 Adsorption of ion 2 on left wall = -5.23948826 Adsorption of ion 2 on right wall = 6.71963369 ------------------------------------------------------------------------ net charge in left DL = -11.8273511 13.7842324 net charge in right DL = 11.7603479 -13.7842324 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.47792743 Relative adsorption of ion 1 on right wall = -0.36568697 Relative adsorption of ion 2 on left wall = -0.380107364 Relative adsorption of ion 2 on right wall = 0.487486969 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1880------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00765277422 Right electrode charge = -0.00765277422 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 316 -1.00 3.0000 1.5000 Na ion: 316 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99893 ________________________________________________________________________ Average electrode charge 1 = 0.00783819577 Average electrode charge 2 = -0.00783819577 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396373 -0.568954 -0.566577 ________________________________________________________________________ Electrode charge exchange: 0.0638121855 Move Jump Cl: 0.93417 0.36922 Na: 0.93425 0.36915 ________________________________________________________________________ Create NaCl : 2068052. / 5637982. = 0.36681 Destroy NaCl : 2068036. / 5640847. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.14321345 Potential at right wall /kT = -1.14758039 ------------------------------------------------------------------------ Potential at left wall /mV = 29.553027 Potential at right wall /mV = -29.665916 ________________________________________________________________________ Capacitance of left DL = 0.0466103355 Capacitance of right DL = 0.0464329671 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69187407 Capacitance of right DL [F/m2] = 1.6854359 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59139135 Adsorption of ion 1 on right wall = -5.0444262 Adsorption of ion 2 on left wall = -5.23085085 Adsorption of ion 2 on right wall = 6.71167175 ------------------------------------------------------------------------ net charge in left DL = -11.8222422 11.4811121 net charge in right DL = 11.756098 -11.4811121 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.574107397 Relative adsorption of ion 1 on right wall = -0.439367387 Relative adsorption of ion 2 on left wall = -0.455604895 Relative adsorption of ion 2 on right wall = 0.584583769 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1885------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00792669203 Right electrode charge = -0.00792669203 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99891 ________________________________________________________________________ Average electrode charge 1 = 0.00783673998 Average electrode charge 2 = -0.00783673998 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396358 -0.568954 -0.566563 ________________________________________________________________________ Electrode charge exchange: 0.0638179601 Move Jump Cl: 0.93418 0.36924 Na: 0.93425 0.36916 ________________________________________________________________________ Create NaCl : 2073680. / 5653018. = 0.36683 Destroy NaCl : 2073680. / 5655783. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.14332544 Potential at right wall /kT = -1.1477838 ------------------------------------------------------------------------ Potential at left wall /mV = 29.555922 Potential at right wall /mV = -29.6711744 ________________________________________________________________________ Capacitance of left DL = 0.0482739429 Capacitance of right DL = 0.0480864313 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69170835 Capacitance of right DL [F/m2] = 1.68513721 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58697896 Adsorption of ion 1 on right wall = -5.03623099 Adsorption of ion 2 on left wall = -5.2311775 Adsorption of ion 2 on right wall = 6.72006162 ------------------------------------------------------------------------ net charge in left DL = -11.8181565 11.8920586 net charge in right DL = 11.7562926 -11.8920586 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.553897284 Relative adsorption of ion 1 on right wall = -0.423495306 Relative adsorption of ion 2 on left wall = -0.439888305 Relative adsorption of ion 2 on right wall = 0.56508817 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1890------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00801723808 Right electrode charge = -0.00801723808 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 314 -1.00 3.0000 1.5000 Na ion: 314 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99872 Bulk concentration of Na = 0.99894 ________________________________________________________________________ Average electrode charge 1 = 0.007835704 Average electrode charge 2 = -0.007835704 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396410 -0.568954 -0.566614 ________________________________________________________________________ Electrode charge exchange: 0.06382175 Move Jump Cl: 0.93417 0.36924 Na: 0.93424 0.36916 ________________________________________________________________________ Create NaCl : 2079160. / 5667996. = 0.36682 Destroy NaCl : 2079146. / 5670765. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.14175372 Potential at right wall /kT = -1.14662883 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5152918 Potential at right wall /mV = -29.6413175 ________________________________________________________________________ Capacitance of left DL = 0.048892585 Capacitance of right DL = 0.0486847087 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69403713 Capacitance of right DL [F/m2] = 1.6868346 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58310498 Adsorption of ion 1 on right wall = -5.03498801 Adsorption of ion 2 on left wall = -5.23462587 Adsorption of ion 2 on right wall = 6.71674428 ------------------------------------------------------------------------ net charge in left DL = -11.8177308 12.0279008 net charge in right DL = 11.7517323 -12.0279008 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.547319529 Relative adsorption of ion 1 on right wall = -0.418609042 Relative adsorption of ion 2 on left wall = -0.435206939 Relative adsorption of ion 2 on right wall = 0.558430304 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1895------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00645016687 Right electrode charge = -0.00645016687 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99871 Bulk concentration of Na = 0.99893 ________________________________________________________________________ Average electrode charge 1 = 0.00783501316 Average electrode charge 2 = -0.00783501316 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396397 -0.568954 -0.566601 ________________________________________________________________________ Electrode charge exchange: 0.0638330027 Move Jump Cl: 0.93416 0.36923 Na: 0.93426 0.36916 ________________________________________________________________________ Create NaCl : 2084528. / 5682768. = 0.36682 Destroy NaCl : 2084530. / 5685928. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.14216174 Potential at right wall /kT = -1.14766146 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5258394 Potential at right wall /mV = -29.6680118 ________________________________________________________________________ Capacitance of left DL = 0.0393218549 Capacitance of right DL = 0.0391334202 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69343196 Capacitance of right DL [F/m2] = 1.68531684 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58905412 Adsorption of ion 1 on right wall = -5.0270209 Adsorption of ion 2 on left wall = -5.2274351 Adsorption of ion 2 on right wall = 6.72484089 ------------------------------------------------------------------------ net charge in left DL = -11.8164892 9.67689448 net charge in right DL = 11.7518618 -9.67689448 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.680905856 Relative adsorption of ion 1 on right wall = -0.519487002 Relative adsorption of ion 2 on left wall = -0.540197593 Relative adsorption of ion 2 on right wall = 0.694937916 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1900------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00849784372 Right electrode charge = -0.00849784372 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99873 Bulk concentration of Na = 0.99895 ________________________________________________________________________ Average electrode charge 1 = 0.00783474257 Average electrode charge 2 = -0.00783474257 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396435 -0.568954 -0.566639 ________________________________________________________________________ Electrode charge exchange: 0.0638290456 Move Jump Cl: 0.93416 0.36922 Na: 0.93426 0.36914 ________________________________________________________________________ Create NaCl : 2089948. / 5697646. = 0.36681 Destroy NaCl : 2089961. / 5700871. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.14132959 Potential at right wall /kT = -1.14678836 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5043277 Potential at right wall /mV = -29.6454415 ________________________________________________________________________ Capacitance of left DL = 0.051842784 Capacitance of right DL = 0.0515960098 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69466664 Capacitance of right DL [F/m2] = 1.68659995 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59651334 Adsorption of ion 1 on right wall = -5.02711513 Adsorption of ion 2 on left wall = -5.21909578 Adsorption of ion 2 on right wall = 6.72382786 ------------------------------------------------------------------------ net charge in left DL = -11.8156091 12.7489317 net charge in right DL = 11.750943 -12.7489317 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.517416948 Relative adsorption of ion 1 on right wall = -0.394316578 Relative adsorption of ion 2 on left wall = -0.409375146 Relative adsorption of ion 2 on right wall = 0.527403238 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1905------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00759868758 Right electrode charge = -0.00759868758 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99872 Bulk concentration of Na = 0.99894 ________________________________________________________________________ Average electrode charge 1 = 0.00783549744 Average electrode charge 2 = -0.00783549744 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396411 -0.568954 -0.566616 ________________________________________________________________________ Electrode charge exchange: 0.0638196785 Move Jump Cl: 0.93416 0.36922 Na: 0.93426 0.36915 ________________________________________________________________________ Create NaCl : 2095395. / 5712681. = 0.36680 Destroy NaCl : 2095406. / 5715892. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.13943641 Potential at right wall /kT = -1.14534373 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4553875 Potential at right wall /mV = -29.6080965 ________________________________________________________________________ Capacitance of left DL = 0.0464343261 Capacitance of right DL = 0.0461948328 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69748234 Capacitance of right DL [F/m2] = 1.68872727 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60254223 Adsorption of ion 1 on right wall = -5.02710725 Adsorption of ion 2 on left wall = -5.21289865 Adsorption of ion 2 on right wall = 6.72384645 ------------------------------------------------------------------------ net charge in left DL = -11.8154409 11.3999683 net charge in right DL = 11.7509537 -11.3999683 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.579171981 Relative adsorption of ion 1 on right wall = -0.440975546 Relative adsorption of ion 2 on left wall = -0.457273083 Relative adsorption of ion 2 on right wall = 0.589812732 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1910------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00607167365 Right electrode charge = -0.00607167365 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99874 Bulk concentration of Na = 0.99894 ________________________________________________________________________ Average electrode charge 1 = 0.0078352027 Average electrode charge 2 = -0.0078352027 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396429 -0.568954 -0.566634 ________________________________________________________________________ Electrode charge exchange: 0.0638174671 Move Jump Cl: 0.93416 0.36923 Na: 0.93425 0.36915 ________________________________________________________________________ Create NaCl : 2100876. / 5727547. = 0.36680 Destroy NaCl : 2100872. / 5730986. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.13992174 Potential at right wall /kT = -1.14565795 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4679336 Potential at right wall /mV = -29.6162194 ________________________________________________________________________ Capacitance of left DL = 0.0370871992 Capacitance of right DL = 0.0369015068 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.69675963 Capacitance of right DL [F/m2] = 1.6882641 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59708467 Adsorption of ion 1 on right wall = -5.0259443 Adsorption of ion 2 on left wall = -5.2164394 Adsorption of ion 2 on right wall = 6.72662447 ------------------------------------------------------------------------ net charge in left DL = -11.8135241 9.10905817 net charge in right DL = 11.7525688 -9.10905817 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.724233455 Relative adsorption of ion 1 on right wall = -0.551752355 Relative adsorption of ion 2 on left wall = -0.572665066 Relative adsorption of ion 2 on right wall = 0.738454443 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1915------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102273757 Right electrode charge = -0.0102273757 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99871 Bulk concentration of Na = 0.99892 ________________________________________________________________________ Average electrode charge 1 = 0.00783568111 Average electrode charge 2 = -0.00783568111 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396374 -0.568954 -0.566578 ________________________________________________________________________ Electrode charge exchange: 0.0638273656 Move Jump Cl: 0.93416 0.36922 Na: 0.93425 0.36914 ________________________________________________________________________ Create NaCl : 2106363. / 5742372. = 0.36681 Destroy NaCl : 2106366. / 5746014. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.13754071 Potential at right wall /kT = -1.14326231 ------------------------------------------------------------------------ Potential at left wall /mV = 29.406382 Potential at right wall /mV = -29.5542902 ________________________________________________________________________ Capacitance of left DL = 0.0626019574 Capacitance of right DL = 0.0622886581 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70031117 Capacitance of right DL [F/m2] = 1.69180175 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60105689 Adsorption of ion 1 on right wall = -5.025357 Adsorption of ion 2 on left wall = -5.21189631 Adsorption of ion 2 on right wall = 6.72574803 ------------------------------------------------------------------------ net charge in left DL = -11.8129532 15.3436705 net charge in right DL = 11.751105 -15.3436705 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.430213675 Relative adsorption of ion 1 on right wall = -0.327519871 Relative adsorption of ion 2 on left wall = -0.339677283 Relative adsorption of ion 2 on right wall = 0.438340227 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1920------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00959076326 Right electrode charge = -0.00959076326 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99876 Bulk concentration of Na = 0.99897 ________________________________________________________________________ Average electrode charge 1 = 0.00783644228 Average electrode charge 2 = -0.00783644228 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396482 -0.568954 -0.566687 ________________________________________________________________________ Electrode charge exchange: 0.0638236436 Move Jump Cl: 0.93415 0.36922 Na: 0.93425 0.36915 ________________________________________________________________________ Create NaCl : 2111764. / 5757290. = 0.36680 Destroy NaCl : 2111771. / 5760691. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.13621848 Potential at right wall /kT = -1.1417274 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3722013 Potential at right wall /mV = -29.5146115 ________________________________________________________________________ Capacitance of left DL = 0.0587735569 Capacitance of right DL = 0.0584899701 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70228985 Capacitance of right DL [F/m2] = 1.69407617 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59407165 Adsorption of ion 1 on right wall = -5.02347918 Adsorption of ion 2 on left wall = -5.21891285 Adsorption of ion 2 on right wall = 6.72763797 ------------------------------------------------------------------------ net charge in left DL = -11.8129845 14.3885896 net charge in right DL = 11.7511172 -14.3885896 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.458284781 Relative adsorption of ion 1 on right wall = -0.349129366 Relative adsorption of ion 2 on left wall = -0.362711912 Relative adsorption of ion 2 on right wall = 0.467567576 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1925------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0084533417 Right electrode charge = -0.0084533417 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99878 Bulk concentration of Na = 0.99898 ________________________________________________________________________ Average electrode charge 1 = 0.00783682367 Average electrode charge 2 = -0.00783682367 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396512 -0.568954 -0.566717 ________________________________________________________________________ Electrode charge exchange: 0.0638335005 Move Jump Cl: 0.93414 0.36924 Na: 0.93426 0.36915 ________________________________________________________________________ Create NaCl : 2117300. / 5772336. = 0.36680 Destroy NaCl : 2117310. / 5775702. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.13611956 Potential at right wall /kT = -1.1415382 ------------------------------------------------------------------------ Potential at left wall /mV = 29.369644 Potential at right wall /mV = -29.5097205 ________________________________________________________________________ Capacitance of left DL = 0.051807787 Capacitance of right DL = 0.0515618661 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70243807 Capacitance of right DL [F/m2] = 1.69435695 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59533761 Adsorption of ion 1 on right wall = -5.02857408 Adsorption of ion 2 on left wall = -5.2163092 Adsorption of ion 2 on right wall = 6.7246721 ------------------------------------------------------------------------ net charge in left DL = -11.8116468 12.6821673 net charge in right DL = 11.7532462 -12.6821673 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.520048146 Relative adsorption of ion 1 on right wall = -0.396507469 Relative adsorption of ion 2 on left wall = -0.411310548 Relative adsorption of ion 2 on right wall = 0.530246283 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1930------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0108597904 Right electrode charge = -0.0108597904 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 322 -1.00 3.0000 1.5000 Na ion: 322 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99880 Bulk concentration of Na = 0.99902 ________________________________________________________________________ Average electrode charge 1 = 0.00783553438 Average electrode charge 2 = -0.00783553438 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396566 -0.568954 -0.566770 ________________________________________________________________________ Electrode charge exchange: 0.0638320396 Move Jump Cl: 0.93415 0.36924 Na: 0.93427 0.36915 ________________________________________________________________________ Create NaCl : 2122812. / 5787441. = 0.36680 Destroy NaCl : 2122790. / 5790691. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.13459787 Potential at right wall /kT = -1.14013681 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3303071 Potential at right wall /mV = -29.4734933 ________________________________________________________________________ Capacitance of left DL = 0.0666453927 Capacitance of right DL = 0.0663216205 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70472132 Capacitance of right DL [F/m2] = 1.69643956 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5949631 Adsorption of ion 1 on right wall = -5.02749044 Adsorption of ion 2 on left wall = -5.21621632 Adsorption of ion 2 on right wall = 6.72047194 ------------------------------------------------------------------------ net charge in left DL = -11.8111794 16.2924538 net charge in right DL = 11.7479624 -16.2924538 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.404786362 Relative adsorption of ion 1 on right wall = -0.308577854 Relative adsorption of ion 2 on left wall = -0.320161492 Relative adsorption of ion 2 on right wall = 0.412489857 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1935------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00920078098 Right electrode charge = -0.00920078098 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99868 Bulk concentration of Na = 0.99890 ________________________________________________________________________ Average electrode charge 1 = 0.0078340651 Average electrode charge 2 = -0.0078340651 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396329 -0.568954 -0.566533 ________________________________________________________________________ Electrode charge exchange: 0.0638339857 Move Jump Cl: 0.93414 0.36928 Na: 0.93426 0.36915 ________________________________________________________________________ Create NaCl : 2128391. / 5802247. = 0.36682 Destroy NaCl : 2128411. / 5805875. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.13425399 Potential at right wall /kT = -1.1394303 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3214174 Potential at right wall /mV = -29.4552295 ________________________________________________________________________ Capacitance of left DL = 0.0564813451 Capacitance of right DL = 0.0562247562 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70523816 Capacitance of right DL [F/m2] = 1.69749144 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60156647 Adsorption of ion 1 on right wall = -5.02501949 Adsorption of ion 2 on left wall = -5.20795872 Adsorption of ion 2 on right wall = 6.71951044 ------------------------------------------------------------------------ net charge in left DL = -11.8095252 13.8035168 net charge in right DL = 11.7445299 -13.8035168 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478252504 Relative adsorption of ion 1 on right wall = -0.364039076 Relative adsorption of ion 2 on left wall = -0.377292164 Relative adsorption of ion 2 on right wall = 0.486796991 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1940------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00898466908 Right electrode charge = -0.00898466908 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99866 Bulk concentration of Na = 0.99887 ________________________________________________________________________ Average electrode charge 1 = 0.00783189336 Average electrode charge 2 = -0.00783189336 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396275 -0.568954 -0.566479 ________________________________________________________________________ Electrode charge exchange: 0.0638415446 Move Jump Cl: 0.93415 0.36928 Na: 0.93426 0.36914 ________________________________________________________________________ Create NaCl : 2133888. / 5817191. = 0.36682 Destroy NaCl : 2133916. / 5821014. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.13379913 Potential at right wall /kT = -1.13876112 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3096591 Potential at right wall /mV = -29.4379307 ________________________________________________________________________ Capacitance of left DL = 0.0551768137 Capacitance of right DL = 0.0549363886 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70592227 Capacitance of right DL [F/m2] = 1.69848895 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60259812 Adsorption of ion 1 on right wall = -5.02610067 Adsorption of ion 2 on left wall = -5.20223666 Adsorption of ion 2 on right wall = 6.71619925 ------------------------------------------------------------------------ net charge in left DL = -11.8048348 13.4792938 net charge in right DL = 11.7422999 -13.4792938 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.489832643 Relative adsorption of ion 1 on right wall = -0.372875666 Relative adsorption of ion 2 on left wall = -0.385942819 Relative adsorption of ion 2 on right wall = 0.498260467 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1945------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00831455885 Right electrode charge = -0.00831455885 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99891 ________________________________________________________________________ Average electrode charge 1 = 0.00783182405 Average electrode charge 2 = -0.00783182405 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396352 -0.568954 -0.566557 ________________________________________________________________________ Electrode charge exchange: 0.0638357844 Move Jump Cl: 0.93415 0.36928 Na: 0.93426 0.36915 ________________________________________________________________________ Create NaCl : 2139281. / 5832295. = 0.36680 Destroy NaCl : 2139287. / 5835859. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.1346046 Potential at right wall /kT = -1.13985708 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3304811 Potential at right wall /mV = -29.4662622 ________________________________________________________________________ Capacitance of left DL = 0.0510252715 Capacitance of right DL = 0.050790146 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70471121 Capacitance of right DL [F/m2] = 1.69685587 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59653831 Adsorption of ion 1 on right wall = -5.03037133 Adsorption of ion 2 on left wall = -5.20821498 Adsorption of ion 2 on right wall = 6.71309954 ------------------------------------------------------------------------ net charge in left DL = -11.8047533 12.4739577 net charge in right DL = 11.7434709 -12.4739577 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.528824811 Relative adsorption of ion 1 on right wall = -0.403269873 Relative adsorption of ion 2 on left wall = -0.417527068 Relative adsorption of ion 2 on right wall = 0.538169177 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1950------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00515394222 Right electrode charge = -0.00515394222 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99864 Bulk concentration of Na = 0.99886 ________________________________________________________________________ Average electrode charge 1 = 0.00783081133 Average electrode charge 2 = -0.00783081133 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396252 -0.568954 -0.566457 ________________________________________________________________________ Electrode charge exchange: 0.063839685 Move Jump Cl: 0.93414 0.36927 Na: 0.93425 0.36915 ________________________________________________________________________ Create NaCl : 2144839. / 5847293. = 0.36681 Destroy NaCl : 2144845. / 5850973. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.13449637 Potential at right wall /kT = -1.13996062 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3276832 Potential at right wall /mV = -29.4689387 ________________________________________________________________________ Capacitance of left DL = 0.0316320317 Capacitance of right DL = 0.0314804077 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70487384 Capacitance of right DL [F/m2] = 1.69670175 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60147571 Adsorption of ion 1 on right wall = -5.02183168 Adsorption of ion 2 on left wall = -5.20372871 Adsorption of ion 2 on right wall = 6.71838261 ------------------------------------------------------------------------ net charge in left DL = -11.8052044 7.73222709 net charge in right DL = 11.7402143 -7.73222709 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.85376123 Relative adsorption of ion 1 on right wall = -0.649467692 Relative adsorption of ion 2 on left wall = -0.672992225 Relative adsorption of ion 2 on right wall = 0.868880665 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1955------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00784729734 Right electrode charge = -0.00784729734 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99865 Bulk concentration of Na = 0.99887 ________________________________________________________________________ Average electrode charge 1 = 0.00783004196 Average electrode charge 2 = -0.00783004196 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396261 -0.568954 -0.566466 ________________________________________________________________________ Electrode charge exchange: 0.0638426838 Move Jump Cl: 0.93414 0.36927 Na: 0.93424 0.36915 ________________________________________________________________________ Create NaCl : 2150343. / 5862227. = 0.36681 Destroy NaCl : 2150339. / 5865893. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.13354331 Potential at right wall /kT = -1.13884084 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3030457 Potential at right wall /mV = -29.4399914 ________________________________________________________________________ Capacitance of left DL = 0.048202842 Capacitance of right DL = 0.0479786174 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.70630727 Capacitance of right DL [F/m2] = 1.69837006 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.6026364 Adsorption of ion 1 on right wall = -5.02551113 Adsorption of ion 2 on left wall = -5.20010165 Adsorption of ion 2 on right wall = 6.71348203 ------------------------------------------------------------------------ net charge in left DL = -11.802738 11.7729463 net charge in right DL = 11.7389932 -11.7729463 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.560831267 Relative adsorption of ion 1 on right wall = -0.42686945 Relative adsorption of ion 2 on left wall = -0.441699257 Relative adsorption of ion 2 on right wall = 0.57024655 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1960------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00607307155 Right electrode charge = -0.00607307155 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99868 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.00782946118 Average electrode charge 2 = -0.00782946118 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396301 -0.568954 -0.566506 ________________________________________________________________________ Electrode charge exchange: 0.0638372669 Move Jump Cl: 0.93413 0.36927 Na: 0.93424 0.36917 ________________________________________________________________________ Create NaCl : 2155779. / 5877001. = 0.36682 Destroy NaCl : 2155786. / 5880994. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.13106563 Potential at right wall /kT = -1.13633491 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2389958 Potential at right wall /mV = -29.3752111 ________________________________________________________________________ Capacitance of left DL = 0.037386193 Capacitance of right DL = 0.0372128301 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71004505 Capacitance of right DL [F/m2] = 1.70211543 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59813723 Adsorption of ion 1 on right wall = -5.03180057 Adsorption of ion 2 on left wall = -5.19960946 Adsorption of ion 2 on right wall = 6.70679781 ------------------------------------------------------------------------ net charge in left DL = -11.7977467 9.11115537 net charge in right DL = 11.7385984 -9.11115537 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.724182275 Relative adsorption of ion 1 on right wall = -0.552268111 Relative adsorption of ion 2 on left wall = -0.570686071 Relative adsorption of ion 2 on right wall = 0.736108379 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1965------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00862855752 Right electrode charge = -0.00862855752 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99868 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.00783133755 Average electrode charge 2 = -0.00783133755 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396303 -0.568954 -0.566508 ________________________________________________________________________ Electrode charge exchange: 0.0638386889 Move Jump Cl: 0.93412 0.36927 Na: 0.93425 0.36917 ________________________________________________________________________ Create NaCl : 2161300. / 5892060. = 0.36682 Destroy NaCl : 2161296. / 5895826. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.13000198 Potential at right wall /kT = -1.13569824 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2114994 Potential at right wall /mV = -29.3587526 ________________________________________________________________________ Capacitance of left DL = 0.0531679173 Capacitance of right DL = 0.0529012456 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71165469 Capacitance of right DL [F/m2] = 1.70306963 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.6019091 Adsorption of ion 1 on right wall = -5.03604824 Adsorption of ion 2 on left wall = -5.19745648 Adsorption of ion 2 on right wall = 6.70506031 ------------------------------------------------------------------------ net charge in left DL = -11.7993656 12.9450357 net charge in right DL = 11.7411085 -12.9450357 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.509995432 Relative adsorption of ion 1 on right wall = -0.389033166 Relative adsorption of ion 2 on left wall = -0.401501903 Relative adsorption of ion 2 on right wall = 0.517963831 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1970------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00801793252 Right electrode charge = -0.00801793252 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99865 Bulk concentration of Na = 0.99882 ________________________________________________________________________ Average electrode charge 1 = 0.00783177618 Average electrode charge 2 = -0.00783177618 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396216 -0.568954 -0.566421 ________________________________________________________________________ Electrode charge exchange: 0.0638365554 Move Jump Cl: 0.93412 0.36929 Na: 0.93423 0.36917 ________________________________________________________________________ Create NaCl : 2166935. / 5907175. = 0.36683 Destroy NaCl : 2166930. / 5910924. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.12884017 Potential at right wall /kT = -1.13480776 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1814657 Potential at right wall /mV = -29.3357328 ________________________________________________________________________ Capacitance of left DL = 0.049456183 Capacitance of right DL = 0.0491961089 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71341634 Capacitance of right DL [F/m2] = 1.70440603 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59600843 Adsorption of ion 1 on right wall = -5.0323356 Adsorption of ion 2 on left wall = -5.19980235 Adsorption of ion 2 on right wall = 6.71198044 ------------------------------------------------------------------------ net charge in left DL = -11.7958108 12.0289426 net charge in right DL = 11.744316 -12.0289426 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.548344826 Relative adsorption of ion 1 on right wall = -0.418352284 Relative adsorption of ion 2 on left wall = -0.432274268 Relative adsorption of ion 2 on right wall = 0.557985907 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1975------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0085529344 Right electrode charge = -0.0085529344 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 314 -1.00 3.0000 1.5000 Na ion: 314 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99887 ________________________________________________________________________ Average electrode charge 1 = 0.00783311394 Average electrode charge 2 = -0.00783311394 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396321 -0.568954 -0.566525 ________________________________________________________________________ Electrode charge exchange: 0.0638380949 Move Jump Cl: 0.93413 0.36928 Na: 0.93423 0.36918 ________________________________________________________________________ Create NaCl : 2172451. / 5922244. = 0.36683 Destroy NaCl : 2172437. / 5925852. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.13071999 Potential at right wall /kT = -1.13653361 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2300606 Potential at right wall /mV = -29.3803476 ________________________________________________________________________ Capacitance of left DL = 0.0526684725 Capacitance of right DL = 0.0523990618 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71056778 Capacitance of right DL [F/m2] = 1.70181785 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5992794 Adsorption of ion 1 on right wall = -5.03625393 Adsorption of ion 2 on left wall = -5.19856127 Adsorption of ion 2 on right wall = 6.71250362 ------------------------------------------------------------------------ net charge in left DL = -11.7978407 12.8315818 net charge in right DL = 11.7487576 -12.8315818 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.514299758 Relative adsorption of ion 1 on right wall = -0.39248894 Relative adsorption of ion 2 on left wall = -0.405137992 Relative adsorption of ion 2 on right wall = 0.523123629 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1980------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00765142459 Right electrode charge = -0.00765142459 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99880 Bulk concentration of Na = 0.99896 ________________________________________________________________________ Average electrode charge 1 = 0.00783174688 Average electrode charge 2 = -0.00783174688 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396501 -0.568954 -0.566706 ________________________________________________________________________ Electrode charge exchange: 0.06383859 Move Jump Cl: 0.93413 0.36928 Na: 0.93421 0.36917 ________________________________________________________________________ Create NaCl : 2177956. / 5937271. = 0.36683 Destroy NaCl : 2177953. / 5940753. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.12897819 Potential at right wall /kT = -1.13494938 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1850337 Potential at right wall /mV = -29.3393939 ________________________________________________________________________ Capacitance of left DL = 0.0471897203 Capacitance of right DL = 0.046941446 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71320686 Capacitance of right DL [F/m2] = 1.70419335 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59139059 Adsorption of ion 1 on right wall = -5.04273563 Adsorption of ion 2 on left wall = -5.20209737 Adsorption of ion 2 on right wall = 6.70412237 ------------------------------------------------------------------------ net charge in left DL = -11.793488 11.4790873 net charge in right DL = 11.746858 -11.4790873 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.574208596 Relative adsorption of ion 1 on right wall = -0.439297612 Relative adsorption of ion 2 on left wall = -0.4531804 Relative adsorption of ion 2 on right wall = 0.584029219 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1985------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00722316475 Right electrode charge = -0.00722316475 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 270 -1.00 3.0000 1.5000 Na ion: 270 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99877 Bulk concentration of Na = 0.99893 ________________________________________________________________________ Average electrode charge 1 = 0.00783085017 Average electrode charge 2 = -0.00783085017 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396441 -0.568954 -0.566645 ________________________________________________________________________ Electrode charge exchange: 0.0638405146 Move Jump Cl: 0.93413 0.36928 Na: 0.93423 0.36917 ________________________________________________________________________ Create NaCl : 2183507. / 5952118. = 0.36685 Destroy NaCl : 2183537. / 5955953. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.12868494 Potential at right wall /kT = -1.13484723 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1774528 Potential at right wall /mV = -29.3367532 ________________________________________________________________________ Capacitance of left DL = 0.0445600268 Capacitance of right DL = 0.0443180631 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71365199 Capacitance of right DL [F/m2] = 1.70434675 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59319063 Adsorption of ion 1 on right wall = -5.04487599 Adsorption of ion 2 on left wall = -5.19875404 Adsorption of ion 2 on right wall = 6.70070822 ------------------------------------------------------------------------ net charge in left DL = -11.7919447 10.8365883 net charge in right DL = 11.7455842 -10.8365883 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.608419405 Relative adsorption of ion 1 on right wall = -0.465540984 Relative adsorption of ion 2 on left wall = -0.479740844 Relative adsorption of ion 2 on right wall = 0.618341125 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1990------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00389261724 Right electrode charge = -0.00389261724 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99871 Bulk concentration of Na = 0.99887 ________________________________________________________________________ Average electrode charge 1 = 0.00783157277 Average electrode charge 2 = -0.00783157277 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396325 -0.568954 -0.566529 ________________________________________________________________________ Electrode charge exchange: 0.0638417529 Move Jump Cl: 0.93414 0.36928 Na: 0.93422 0.36918 ________________________________________________________________________ Create NaCl : 2188967. / 5967088. = 0.36684 Destroy NaCl : 2188969. / 5971110. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.12727026 Potential at right wall /kT = -1.13313842 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1408822 Potential at right wall /mV = -29.292579 ________________________________________________________________________ Capacitance of left DL = 0.0240438663 Capacitance of right DL = 0.0239193509 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71580255 Capacitance of right DL [F/m2] = 1.70691696 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59748175 Adsorption of ion 1 on right wall = -5.03866971 Adsorption of ion 2 on left wall = -5.19473042 Adsorption of ion 2 on right wall = 6.70637816 ------------------------------------------------------------------------ net charge in left DL = -11.7922122 5.8399181 net charge in right DL = 11.7450479 -5.8399181 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.12972162 Relative adsorption of ion 1 on right wall = -0.862798009 Relative adsorption of ion 2 on left wall = -0.889521108 Relative adsorption of ion 2 on right wall = 1.14836853 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1995------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00835215933 Right electrode charge = -0.00835215933 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99886 ________________________________________________________________________ Average electrode charge 1 = 0.00783266596 Average electrode charge 2 = -0.00783266596 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396308 -0.568954 -0.566513 ________________________________________________________________________ Electrode charge exchange: 0.0638382702 Move Jump Cl: 0.93414 0.36926 Na: 0.93421 0.36918 ________________________________________________________________________ Create NaCl : 2194476. / 5982246. = 0.36683 Destroy NaCl : 2194482. / 5986044. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.12595953 Potential at right wall /kT = -1.13223934 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1069989 Potential at right wall /mV = -29.2693372 ________________________________________________________________________ Capacitance of left DL = 0.0516495617 Capacitance of right DL = 0.0513630946 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71779991 Capacitance of right DL [F/m2] = 1.70827237 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60786834 Adsorption of ion 1 on right wall = -5.03505789 Adsorption of ion 2 on left wall = -5.18524901 Adsorption of ion 2 on right wall = 6.71065324 ------------------------------------------------------------------------ net charge in left DL = -11.7931174 12.530368 net charge in right DL = 11.7457111 -12.530368 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.527348306 Relative adsorption of ion 1 on right wall = -0.401828413 Relative adsorption of ion 2 on left wall = -0.413814583 Relative adsorption of ion 2 on right wall = 0.53555117 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 2000------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0039370672 Right electrode charge = -0.0039370672 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99867 Bulk concentration of Na = 0.99884 ________________________________________________________________________ Average electrode charge 1 = 0.00783244838 Average electrode charge 2 = -0.00783244838 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.398749 -15.396256 -0.568954 -0.566460 ________________________________________________________________________ Electrode charge exchange: 0.0638466536 Move Jump Cl: 0.93415 0.36926 Na: 0.93421 0.36917 ________________________________________________________________________ Create NaCl : 2199935. / 5997083. = 0.36683 Destroy NaCl : 2199936. / 6001009. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.12552751 Potential at right wall /kT = -1.13165764 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0958308 Potential at right wall /mV = -29.2542996 ________________________________________________________________________ Capacitance of left DL = 0.0243560785 Capacitance of right DL = 0.024224143 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.71845927 Capacitance of right DL [F/m2] = 1.70915047 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61263885 Adsorption of ion 1 on right wall = -5.0374359 Adsorption of ion 2 on left wall = -5.18089934 Adsorption of ion 2 on right wall = 6.70667232 ------------------------------------------------------------------------ net charge in left DL = -11.7935382 5.90660438 net charge in right DL = 11.7441082 -5.90660438 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.11953306 Relative adsorption of ion 1 on right wall = -0.852848029 Relative adsorption of ion 2 on left wall = -0.877136678 Relative adsorption of ion 2 on right wall = 1.13545311 ________________________________________________________________________ End of simulation