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 = 54.9646039 starting xl = 54.9646039 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 200 net charge on left wall /e = 18.8560937 net charge on right wall /e = -18.8560937 net charge on walls /e (starting) = 0. Initial sigma = 0.0164695165 net charge on walls = 0. N( 1) = 200 ----------------------------------------- nimax = 200 max = 2000 ntot = 400 max = 12000 ntry = 400 max = 12000 ----------------------------------------- vgc = 1 1.04357847E+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 = 0.00871986804 Right electrode charge = -0.00871986804 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 140 -1.00 3.0000 1.5000 Na ion: 140 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.73786 Bulk concentration of Na = 0.73492 ________________________________________________________________________ Average electrode charge 1 = 0.00713849823 Average electrode charge 2 = -0.00713849823 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.277802 -1.060000 -0.448007 ________________________________________________________________________ Electrode charge exchange: 0.075907039 Move Jump Cl: 0.94730 0.40344 Na: 0.94496 0.39988 ________________________________________________________________________ Create NaCl : 5986. / 14873. = 0.40247 Destroy NaCl : 6046. / 15205. = 0.39763 ________________________________________________________________________ Potential at left wall /kT = 1.99426881 Potential at right wall /kT = -2.08941142 ------------------------------------------------------------------------ Potential at left wall /mV = 51.5535223 Potential at right wall /mV = -54.0130387 ________________________________________________________________________ Capacitance of left DL = 0.0304450624 Capacitance of right DL = 0.0290587281 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 1.93973167 Capacitance of right DL [F/m2] = 1.85140482 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.04315092 Adsorption of ion 1 on right wall = -3.65448242 Adsorption of ion 2 on left wall = -3.41980365 Adsorption of ion 2 on right wall = 5.38146302 ------------------------------------------------------------------------ net charge in left DL = -8.46295457 9.98345332 net charge in right DL = 9.03594543 -9.98345332 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.505150948 Relative adsorption of ion 1 on right wall = -0.366053939 Relative adsorption of ion 2 on left wall = -0.342547167 Relative adsorption of ion 2 on right wall = 0.539038231 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00417110262 Right electrode charge = -0.00417110262 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 140 -1.00 3.0000 1.5000 Na ion: 140 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.73986 Bulk concentration of Na = 0.73756 ________________________________________________________________________ Average electrode charge 1 = 0.00701168641 Average electrode charge 2 = -0.00701168641 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.284094 -1.060000 -0.454298 ________________________________________________________________________ Electrode charge exchange: 0.0789473684 Move Jump Cl: 0.94539 0.40353 Na: 0.94561 0.40182 ________________________________________________________________________ Create NaCl : 11943. / 29787. = 0.40095 Destroy NaCl : 12003. / 30294. = 0.39622 ________________________________________________________________________ Potential at left wall /kT = 1.77444554 Potential at right wall /kT = -1.82945717 ------------------------------------------------------------------------ Potential at left wall /mV = 45.8709062 Potential at right wall /mV = -47.293003 ________________________________________________________________________ Capacitance of left DL = 0.0163673682 Capacitance of right DL = 0.0158752028 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.18003105 Capacitance of right DL [F/m2] = 2.11447769 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31067761 Adsorption of ion 1 on right wall = -3.45878073 Adsorption of ion 2 on left wall = -2.92604515 Adsorption of ion 2 on right wall = 5.22569652 ------------------------------------------------------------------------ net charge in left DL = -8.23672275 4.77553194 net charge in right DL = 8.68447725 -4.77553194 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.11205991 Relative adsorption of ion 1 on right wall = -0.724271301 Relative adsorption of ion 2 on left wall = -0.612716068 Relative adsorption of ion 2 on right wall = 1.0942648 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00813328609 Right electrode charge = -0.00813328609 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 150 -1.00 3.0000 1.5000 Na ion: 150 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74047 Bulk concentration of Na = 0.73894 ________________________________________________________________________ Average electrode charge 1 = 0.00699321129 Average electrode charge 2 = -0.00699321129 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.286783 -1.060000 -0.456987 ________________________________________________________________________ Electrode charge exchange: 0.0779687241 Move Jump Cl: 0.94335 0.40255 Na: 0.94421 0.40204 ________________________________________________________________________ Create NaCl : 17863. / 44746. = 0.39921 Destroy NaCl : 17913. / 45177. = 0.39651 ________________________________________________________________________ Potential at left wall /kT = 1.45346595 Potential at right wall /kT = -1.5035119 ------------------------------------------------------------------------ Potential at left wall /mV = 37.5733145 Potential at right wall /mV = -38.8670445 ________________________________________________________________________ Capacitance of left DL = 0.0389629508 Capacitance of right DL = 0.0376660285 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.66146337 Capacitance of right DL [F/m2] = 2.57287379 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.131522 Adsorption of ion 1 on right wall = -3.33983355 Adsorption of ion 2 on left wall = -2.96675345 Adsorption of ion 2 on right wall = 5.0553021 ------------------------------------------------------------------------ net charge in left DL = -8.09827546 9.31187051 net charge in right DL = 8.39513565 -9.31187051 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55107317 Relative adsorption of ion 1 on right wall = -0.358664089 Relative adsorption of ion 2 on left wall = -0.318599088 Relative adsorption of ion 2 on right wall = 0.54288793 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0096679839 Right electrode charge = -0.0096679839 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 142 -1.00 3.0000 1.5000 Na ion: 142 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.73700 Bulk concentration of Na = 0.73561 ________________________________________________________________________ Average electrode charge 1 = 0.00703502685 Average electrode charge 2 = -0.00703502685 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.277576 -1.060000 -0.447781 ________________________________________________________________________ Electrode charge exchange: 0.0781295624 Move Jump Cl: 0.94293 0.40255 Na: 0.94443 0.40072 ________________________________________________________________________ Create NaCl : 23864. / 59631. = 0.40019 Destroy NaCl : 23922. / 60153. = 0.39769 ________________________________________________________________________ Potential at left wall /kT = 1.24547117 Potential at right wall /kT = -1.24542153 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1964749 Potential at right wall /mV = -32.1951916 ________________________________________________________________________ Capacitance of left DL = 0.0540496509 Capacitance of right DL = 0.0540518052 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.10593009 Capacitance of right DL [F/m2] = 3.10605389 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1954663 Adsorption of ion 1 on right wall = -2.88108787 Adsorption of ion 2 on left wall = -2.80911209 Adsorption of ion 2 on right wall = 5.39402541 ------------------------------------------------------------------------ net charge in left DL = -8.00457839 11.0689595 net charge in right DL = 8.27511328 -11.0689595 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.469372601 Relative adsorption of ion 1 on right wall = -0.260285339 Relative adsorption of ion 2 on left wall = -0.253782851 Relative adsorption of ion 2 on right wall = 0.487310973 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00805206298 Right electrode charge = -0.00805206298 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 147 -1.00 3.0000 1.5000 Na ion: 147 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.73793 Bulk concentration of Na = 0.73795 ________________________________________________________________________ Average electrode charge 1 = 0.00705909409 Average electrode charge 2 = -0.00705909409 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.282007 -1.060000 -0.452212 ________________________________________________________________________ Electrode charge exchange: 0.0787937419 Move Jump Cl: 0.94316 0.40300 Na: 0.94544 0.40151 ________________________________________________________________________ Create NaCl : 29794. / 74641. = 0.39916 Destroy NaCl : 29847. / 75103. = 0.39741 ________________________________________________________________________ Potential at left wall /kT = 1.27443904 Potential at right wall /kT = -1.2632019 ------------------------------------------------------------------------ Potential at left wall /mV = 32.9453186 Potential at right wall /mV = -32.6548292 ________________________________________________________________________ Capacitance of left DL = 0.0439925109 Capacitance of right DL = 0.0443838576 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.03533261 Capacitance of right DL [F/m2] = 3.0623342 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.22977691 Adsorption of ion 1 on right wall = -2.84784309 Adsorption of ion 2 on left wall = -2.95142154 Adsorption of ion 2 on right wall = 5.32991846 ------------------------------------------------------------------------ net charge in left DL = -8.18119845 9.21887745 net charge in right DL = 8.17776155 -9.21887745 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.567289992 Relative adsorption of ion 1 on right wall = -0.308914301 Relative adsorption of ion 2 on left wall = -0.320149775 Relative adsorption of ion 2 on right wall = 0.578152653 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00656585022 Right electrode charge = -0.00656585022 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 148 -1.00 3.0000 1.5000 Na ion: 148 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74151 Bulk concentration of Na = 0.74171 ________________________________________________________________________ Average electrode charge 1 = 0.00703926434 Average electrode charge 2 = -0.00703926434 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.291926 -1.060000 -0.462131 ________________________________________________________________________ Electrode charge exchange: 0.0792838875 Move Jump Cl: 0.94314 0.40164 Na: 0.94485 0.40040 ________________________________________________________________________ Create NaCl : 35669. / 89708. = 0.39761 Destroy NaCl : 35721. / 90032. = 0.39676 ________________________________________________________________________ Potential at left wall /kT = 1.31042921 Potential at right wall /kT = -1.31145956 ------------------------------------------------------------------------ Potential at left wall /mV = 33.8756947 Potential at right wall /mV = -33.9023301 ________________________________________________________________________ Capacitance of left DL = 0.0348873563 Capacitance of right DL = 0.034859947 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 2.95196898 Capacitance of right DL [F/m2] = 2.94964976 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.0625787 Adsorption of ion 1 on right wall = -2.93752963 Adsorption of ion 2 on left wall = -3.14116897 Adsorption of ion 2 on right wall = 5.22625048 ------------------------------------------------------------------------ net charge in left DL = -8.20374767 7.51729945 net charge in right DL = 8.16378011 -7.51729945 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.673457102 Relative adsorption of ion 1 on right wall = -0.390769272 Relative adsorption of ion 2 on left wall = -0.417858699 Relative adsorption of ion 2 on right wall = 0.695229784 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00779893192 Right electrode charge = -0.00779893192 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 141 -1.00 3.0000 1.5000 Na ion: 141 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74033 Bulk concentration of Na = 0.74071 ________________________________________________________________________ Average electrode charge 1 = 0.00697508434 Average electrode charge 2 = -0.00697508434 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.288987 -1.060000 -0.459192 ________________________________________________________________________ Electrode charge exchange: 0.0785084584 Move Jump Cl: 0.94331 0.40121 Na: 0.94508 0.40006 ________________________________________________________________________ Create NaCl : 41633. / 104556. = 0.39819 Destroy NaCl : 41692. / 105209. = 0.39628 ________________________________________________________________________ Potential at left wall /kT = 1.26220997 Potential at right wall /kT = -1.27590426 ------------------------------------------------------------------------ Potential at left wall /mV = 32.629187 Potential at right wall /mV = -32.9831959 ________________________________________________________________________ Capacitance of left DL = 0.0430223546 Capacitance of right DL = 0.0425605953 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.06474078 Capacitance of right DL [F/m2] = 3.0318469 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.97710105 Adsorption of ion 1 on right wall = -2.80374419 Adsorption of ion 2 on left wall = -3.15058487 Adsorption of ion 2 on right wall = 5.2502937 ------------------------------------------------------------------------ net charge in left DL = -8.12768592 8.92906548 net charge in right DL = 8.05403789 -8.92906548 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.557404474 Relative adsorption of ion 1 on right wall = -0.314001974 Relative adsorption of ion 2 on left wall = -0.352845981 Relative adsorption of ion 2 on right wall = 0.588000358 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00965683969 Right electrode charge = -0.00965683969 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 148 -1.00 3.0000 1.5000 Na ion: 148 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74229 Bulk concentration of Na = 0.74268 ________________________________________________________________________ Average electrode charge 1 = 0.00690841899 Average electrode charge 2 = -0.00690841899 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.294284 -1.060000 -0.464489 ________________________________________________________________________ Electrode charge exchange: 0.0783830107 Move Jump Cl: 0.94313 0.40046 Na: 0.94436 0.39921 ________________________________________________________________________ Create NaCl : 47703. / 119644. = 0.39871 Destroy NaCl : 47755. / 120318. = 0.39691 ________________________________________________________________________ Potential at left wall /kT = 1.18730083 Potential at right wall /kT = -1.21167741 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6927228 Potential at right wall /mV = -31.3228779 ________________________________________________________________________ Capacitance of left DL = 0.0566323918 Capacitance of right DL = 0.0554930587 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.2581013 Capacitance of right DL [F/m2] = 3.19255467 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.8828119 Adsorption of ion 1 on right wall = -2.8102381 Adsorption of ion 2 on left wall = -3.12813356 Adsorption of ion 2 on right wall = 5.12434561 ------------------------------------------------------------------------ net charge in left DL = -8.01094547 11.0562004 net charge in right DL = 7.9345837 -11.0562004 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.44163562 Relative adsorption of ion 1 on right wall = -0.254177566 Relative adsorption of ion 2 on left wall = -0.282930252 Relative adsorption of ion 2 on right wall = 0.463481615 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00720420195 Right electrode charge = -0.00720420195 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 153 -1.00 3.0000 1.5000 Na ion: 153 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74448 Bulk concentration of Na = 0.74476 ________________________________________________________________________ Average electrode charge 1 = 0.00698453296 Average electrode charge 2 = -0.00698453296 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.300042 -1.060000 -0.470247 ________________________________________________________________________ Electrode charge exchange: 0.078593454 Move Jump Cl: 0.94242 0.39991 Na: 0.94434 0.39877 ________________________________________________________________________ Create NaCl : 53570. / 134591. = 0.39802 Destroy NaCl : 53617. / 135329. = 0.39620 ________________________________________________________________________ Potential at left wall /kT = 1.12819352 Potential at right wall /kT = -1.15541483 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1647494 Potential at right wall /mV = -29.8684431 ________________________________________________________________________ Capacitance of left DL = 0.0444624028 Capacitance of right DL = 0.0434148788 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42879683 Capacitance of right DL [F/m2] = 3.34801515 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.03116877 Adsorption of ion 1 on right wall = -3.21907197 Adsorption of ion 2 on left wall = -3.01555759 Adsorption of ion 2 on right wall = 4.77276834 ------------------------------------------------------------------------ net charge in left DL = -8.04672636 8.24815393 net charge in right DL = 7.99184031 -8.24815393 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.60997513 Relative adsorption of ion 1 on right wall = -0.390277873 Relative adsorption of ion 2 on left wall = -0.365603941 Relative adsorption of ion 2 on right wall = 0.578646856 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00721676504 Right electrode charge = -0.00721676504 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 143 -1.00 3.0000 1.5000 Na ion: 143 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74567 Bulk concentration of Na = 0.74585 ________________________________________________________________________ Average electrode charge 1 = 0.00700233547 Average electrode charge 2 = -0.00700233547 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.303088 -1.060000 -0.473292 ________________________________________________________________________ Electrode charge exchange: 0.0783434053 Move Jump Cl: 0.94294 0.39966 Na: 0.94407 0.39850 ________________________________________________________________________ Create NaCl : 59533. / 149631. = 0.39787 Destroy NaCl : 59590. / 150414. = 0.39617 ________________________________________________________________________ Potential at left wall /kT = 1.09372783 Potential at right wall /kT = -1.12538039 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2737824 Potential at right wall /mV = -29.0920275 ________________________________________________________________________ Capacitance of left DL = 0.045943487 Capacitance of right DL = 0.0446512761 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.5368455 Capacitance of right DL [F/m2] = 3.43736785 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.00094661 Adsorption of ion 1 on right wall = -3.27128673 Adsorption of ion 2 on left wall = -3.03430651 Adsorption of ion 2 on right wall = 4.72878349 ------------------------------------------------------------------------ net charge in left DL = -8.03525312 8.26253753 net charge in right DL = 8.00007021 -8.26253753 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.60525554 Relative adsorption of ion 1 on right wall = -0.395917927 Relative adsorption of ion 2 on left wall = -0.367236639 Relative adsorption of ion 2 on right wall = 0.572316128 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00505427222 Right electrode charge = -0.00505427222 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 159 -1.00 3.0000 1.5000 Na ion: 159 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74602 Bulk concentration of Na = 0.74580 ________________________________________________________________________ Average electrode charge 1 = 0.00703059636 Average electrode charge 2 = -0.00703059636 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.303489 -1.060000 -0.473694 ________________________________________________________________________ Electrode charge exchange: 0.0780426295 Move Jump Cl: 0.94319 0.40003 Na: 0.94411 0.39876 ________________________________________________________________________ Create NaCl : 65425. / 164458. = 0.39782 Destroy NaCl : 65466. / 165529. = 0.39550 ________________________________________________________________________ Potential at left wall /kT = 1.07496214 Potential at right wall /kT = -1.10135197 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7886735 Potential at right wall /mV = -28.4708728 ________________________________________________________________________ Capacitance of left DL = 0.0327382991 Capacitance of right DL = 0.0319538467 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59858847 Capacitance of right DL [F/m2] = 3.51236159 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.99919897 Adsorption of ion 1 on right wall = -3.35641315 Adsorption of ion 2 on left wall = -3.01416804 Adsorption of ion 2 on right wall = 4.70039862 ------------------------------------------------------------------------ net charge in left DL = -8.01336702 5.78668055 net charge in right DL = 8.05681177 -5.78668055 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.863914801 Relative adsorption of ion 1 on right wall = -0.580023922 Relative adsorption of ion 2 on left wall = -0.520880325 Relative adsorption of ion 2 on right wall = 0.81227892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00644420363 Right electrode charge = -0.00644420363 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 142 -1.00 3.0000 1.5000 Na ion: 142 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74594 Bulk concentration of Na = 0.74546 ________________________________________________________________________ Average electrode charge 1 = 0.00700195695 Average electrode charge 2 = -0.00700195695 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.302929 -1.060000 -0.473133 ________________________________________________________________________ Electrode charge exchange: 0.0781804271 Move Jump Cl: 0.94317 0.39970 Na: 0.94416 0.39837 ________________________________________________________________________ Create NaCl : 71324. / 179403. = 0.39756 Destroy NaCl : 71382. / 180453. = 0.39557 ________________________________________________________________________ Potential at left wall /kT = 1.12037374 Potential at right wall /kT = -1.14861885 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9626014 Potential at right wall /mV = -29.6927611 ________________________________________________________________________ Capacitance of left DL = 0.0400494897 Capacitance of right DL = 0.0390646529 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.45272853 Capacitance of right DL [F/m2] = 3.36782422 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.04681223 Adsorption of ion 1 on right wall = -3.23239194 Adsorption of ion 2 on left wall = -2.93950897 Adsorption of ion 2 on right wall = 4.84652853 ------------------------------------------------------------------------ net charge in left DL = -7.9863212 7.37802519 net charge in right DL = 8.07892046 -7.37802519 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.684032935 Relative adsorption of ion 1 on right wall = -0.438110721 Relative adsorption of ion 2 on left wall = -0.39841406 Relative adsorption of ion 2 on right wall = 0.656886958 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00959003829 Right electrode charge = -0.00959003829 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 160 -1.00 3.0000 1.5000 Na ion: 160 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74749 Bulk concentration of Na = 0.74703 ________________________________________________________________________ Average electrode charge 1 = 0.00697915466 Average electrode charge 2 = -0.00697915466 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.307111 -1.060000 -0.477316 ________________________________________________________________________ Electrode charge exchange: 0.0779050484 Move Jump Cl: 0.94312 0.39949 Na: 0.94413 0.39874 ________________________________________________________________________ Create NaCl : 77317. / 194434. = 0.39765 Destroy NaCl : 77357. / 195377. = 0.39594 ________________________________________________________________________ Potential at left wall /kT = 1.07261279 Potential at right wall /kT = -1.09902366 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7279408 Potential at right wall /mV = -28.4106839 ________________________________________________________________________ Capacitance of left DL = 0.0622541091 Capacitance of right DL = 0.0607580675 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.60647049 Capacitance of right DL [F/m2] = 3.51980263 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.03636708 Adsorption of ion 1 on right wall = -3.4256842 Adsorption of ion 2 on left wall = -2.89548639 Adsorption of ion 2 on right wall = 4.59689566 ------------------------------------------------------------------------ net charge in left DL = -7.93185348 10.9797189 net charge in right DL = 8.02257986 -10.9797189 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.458697271 Relative adsorption of ion 1 on right wall = -0.312001085 Relative adsorption of ion 2 on left wall = -0.263712252 Relative adsorption of ion 2 on right wall = 0.418671526 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00527758369 Right electrode charge = -0.00527758369 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 143 -1.00 3.0000 1.5000 Na ion: 143 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74770 Bulk concentration of Na = 0.74738 ________________________________________________________________________ Average electrode charge 1 = 0.00700266957 Average electrode charge 2 = -0.00700266957 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.307860 -1.060000 -0.478065 ________________________________________________________________________ Electrode charge exchange: 0.0780514544 Move Jump Cl: 0.94347 0.39968 Na: 0.94387 0.39867 ________________________________________________________________________ Create NaCl : 83254. / 209401. = 0.39758 Destroy NaCl : 83311. / 210384. = 0.39599 ________________________________________________________________________ Potential at left wall /kT = 1.0754132 Potential at right wall /kT = -1.09882153 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8003336 Potential at right wall /mV = -28.4054587 ________________________________________________________________________ Capacitance of left DL = 0.0341704281 Capacitance of right DL = 0.0334424912 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59707913 Capacitance of right DL [F/m2] = 3.5204501 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.97575002 Adsorption of ion 1 on right wall = -3.35507736 Adsorption of ion 2 on left wall = -2.99682421 Adsorption of ion 2 on right wall = 4.68007222 ------------------------------------------------------------------------ net charge in left DL = -7.97257423 6.04235181 net charge in right DL = 8.03514958 -6.04235181 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.823479033 Relative adsorption of ion 1 on right wall = -0.555260181 Relative adsorption of ion 2 on left wall = -0.495969832 Relative adsorption of ion 2 on right wall = 0.774544808 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00734900267 Right electrode charge = -0.00734900267 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 148 -1.00 3.0000 1.5000 Na ion: 148 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74807 Bulk concentration of Na = 0.74785 ________________________________________________________________________ Average electrode charge 1 = 0.00700133803 Average electrode charge 2 = -0.00700133803 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.308971 -1.060000 -0.479176 ________________________________________________________________________ Electrode charge exchange: 0.0777220471 Move Jump Cl: 0.94340 0.39981 Na: 0.94370 0.39841 ________________________________________________________________________ Create NaCl : 89335. / 224554. = 0.39783 Destroy NaCl : 89387. / 225214. = 0.39690 ________________________________________________________________________ Potential at left wall /kT = 1.11977484 Potential at right wall /kT = -1.13714014 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9471193 Potential at right wall /mV = -29.3960268 ________________________________________________________________________ Capacitance of left DL = 0.0456970699 Capacitance of right DL = 0.0449992286 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.45457519 Capacitance of right DL [F/m2] = 3.40182027 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.9608841 Adsorption of ion 1 on right wall = -3.42717035 Adsorption of ion 2 on left wall = -3.04640957 Adsorption of ion 2 on right wall = 4.6229982 ------------------------------------------------------------------------ net charge in left DL = -8.00729367 8.41393755 net charge in right DL = 8.05016855 -8.41393755 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.589603151 Relative adsorption of ion 1 on right wall = -0.40732063 Relative adsorption of ion 2 on left wall = -0.362067053 Relative adsorption of ion 2 on right wall = 0.549445272 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00724231996 Right electrode charge = -0.00724231996 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 147 -1.00 3.0000 1.5000 Na ion: 147 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74973 Bulk concentration of Na = 0.74939 ________________________________________________________________________ Average electrode charge 1 = 0.00700553781 Average electrode charge 2 = -0.00700553781 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.313267 -1.060000 -0.483472 ________________________________________________________________________ Electrode charge exchange: 0.077419422 Move Jump Cl: 0.94309 0.40042 Na: 0.94362 0.39835 ________________________________________________________________________ Create NaCl : 95338. / 239721. = 0.39770 Destroy NaCl : 95391. / 240237. = 0.39707 ________________________________________________________________________ Potential at left wall /kT = 1.10776281 Potential at right wall /kT = -1.13447074 ------------------------------------------------------------------------ Potential at left wall /mV = 28.6365982 Potential at right wall /mV = -29.3270206 ________________________________________________________________________ Capacitance of left DL = 0.0455220258 Capacitance of right DL = 0.0444503374 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.49203489 Capacitance of right DL [F/m2] = 3.40982472 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.89838783 Adsorption of ion 1 on right wall = -3.56154134 Adsorption of ion 2 on left wall = -3.09731124 Adsorption of ion 2 on right wall = 4.50069918 ------------------------------------------------------------------------ net charge in left DL = -7.99569907 8.29179558 net charge in right DL = 8.06224052 -8.29179558 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.590751157 Relative adsorption of ion 1 on right wall = -0.429525946 Relative adsorption of ion 2 on left wall = -0.373539267 Relative adsorption of ion 2 on right wall = 0.542789452 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00792291897 Right electrode charge = -0.00792291897 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 129 -1.00 3.0000 1.5000 Na ion: 129 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74954 Bulk concentration of Na = 0.74897 ________________________________________________________________________ Average electrode charge 1 = 0.00701092562 Average electrode charge 2 = -0.00701092562 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.312455 -1.060000 -0.482660 ________________________________________________________________________ Electrode charge exchange: 0.0774259848 Move Jump Cl: 0.94317 0.40042 Na: 0.94340 0.39866 ________________________________________________________________________ Create NaCl : 101283. / 254598. = 0.39782 Destroy NaCl : 101354. / 255087. = 0.39733 ________________________________________________________________________ Potential at left wall /kT = 1.1114862 Potential at right wall /kT = -1.13739444 ------------------------------------------------------------------------ Potential at left wall /mV = 28.732851 Potential at right wall /mV = -29.4026007 ________________________________________________________________________ Capacitance of left DL = 0.0496331447 Capacitance of right DL = 0.0485025717 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.48033685 Capacitance of right DL [F/m2] = 3.40105968 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.84570752 Adsorption of ion 1 on right wall = -3.43420719 Adsorption of ion 2 on left wall = -3.13637685 Adsorption of ion 2 on right wall = 4.65851433 ------------------------------------------------------------------------ net charge in left DL = -7.98208437 9.07101934 net charge in right DL = 8.09272151 -9.07101934 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.534196581 Relative adsorption of ion 1 on right wall = -0.3785911 Relative adsorption of ion 2 on left wall = -0.345757928 Relative adsorption of ion 2 on right wall = 0.51356018 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00833520928 Right electrode charge = -0.00833520928 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 155 -1.00 3.0000 1.5000 Na ion: 155 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74870 Bulk concentration of Na = 0.74818 ________________________________________________________________________ Average electrode charge 1 = 0.00699579962 Average electrode charge 2 = -0.00699579962 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.310272 -1.060000 -0.480477 ________________________________________________________________________ Electrode charge exchange: 0.0774446593 Move Jump Cl: 0.94335 0.40068 Na: 0.94346 0.39860 ________________________________________________________________________ Create NaCl : 107322. / 269498. = 0.39823 Destroy NaCl : 107367. / 270230. = 0.39732 ________________________________________________________________________ Potential at left wall /kT = 1.10521125 Potential at right wall /kT = -1.12823141 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5706382 Potential at right wall /mV = -29.1657288 ________________________________________________________________________ Capacitance of left DL = 0.0525123998 Capacitance of right DL = 0.0514409493 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.50009682 Capacitance of right DL [F/m2] = 3.42868168 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.82495022 Adsorption of ion 1 on right wall = -3.34627293 Adsorption of ion 2 on left wall = -3.14041471 Adsorption of ion 2 on right wall = 4.72127695 ------------------------------------------------------------------------ net charge in left DL = -7.96536493 9.54305414 net charge in right DL = 8.06754989 -9.54305414 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.505598119 Relative adsorption of ion 1 on right wall = -0.350650105 Relative adsorption of ion 2 on left wall = -0.329078581 Relative adsorption of ion 2 on right wall = 0.494734378 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00980786538 Right electrode charge = -0.00980786538 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 151 -1.00 3.0000 1.5000 Na ion: 151 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74872 Bulk concentration of Na = 0.74816 ________________________________________________________________________ Average electrode charge 1 = 0.00702542777 Average electrode charge 2 = -0.00702542777 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.310264 -1.060000 -0.480468 ________________________________________________________________________ Electrode charge exchange: 0.077395427 Move Jump Cl: 0.94331 0.40017 Na: 0.94325 0.39837 ________________________________________________________________________ Create NaCl : 113212. / 284430. = 0.39803 Destroy NaCl : 113261. / 285314. = 0.39697 ________________________________________________________________________ Potential at left wall /kT = 1.09260887 Potential at right wall /kT = -1.11198288 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2448561 Potential at right wall /mV = -28.7456907 ________________________________________________________________________ Capacitance of left DL = 0.0625029375 Capacitance of right DL = 0.0614139523 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.54046768 Capacitance of right DL [F/m2] = 3.4787823 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.89591903 Adsorption of ion 1 on right wall = -3.38050817 Adsorption of ion 2 on left wall = -3.09110607 Adsorption of ion 2 on right wall = 4.71592288 ------------------------------------------------------------------------ net charge in left DL = -7.98702509 11.229111 net charge in right DL = 8.09643105 -11.229111 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.436002371 Relative adsorption of ion 1 on right wall = -0.301048601 Relative adsorption of ion 2 on left wall = -0.275276116 Relative adsorption of ion 2 on right wall = 0.41997295 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00687979514 Right electrode charge = -0.00687979514 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 156 -1.00 3.0000 1.5000 Na ion: 156 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74884 Bulk concentration of Na = 0.74838 ________________________________________________________________________ Average electrode charge 1 = 0.00702842255 Average electrode charge 2 = -0.00702842255 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.310722 -1.060000 -0.480927 ________________________________________________________________________ Electrode charge exchange: 0.077614447 Move Jump Cl: 0.94338 0.39995 Na: 0.94334 0.39884 ________________________________________________________________________ Create NaCl : 119257. / 299434. = 0.39827 Destroy NaCl : 119301. / 300424. = 0.39711 ________________________________________________________________________ Potential at left wall /kT = 1.09767071 Potential at right wall /kT = -1.11967643 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3757091 Potential at right wall /mV = -28.9445755 ________________________________________________________________________ Capacitance of left DL = 0.0436409386 Capacitance of right DL = 0.0427832351 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.52414101 Capacitance of right DL [F/m2] = 3.4548788 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.91610409 Adsorption of ion 1 on right wall = -3.44626258 Adsorption of ion 2 on left wall = -3.08919885 Adsorption of ion 2 on right wall = 4.64811949 ------------------------------------------------------------------------ net charge in left DL = -8.00530293 7.87673773 net charge in right DL = 8.09438207 -7.87673773 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.624129462 Relative adsorption of ion 1 on right wall = -0.437524099 Relative adsorption of ion 2 on left wall = -0.392192675 Relative adsorption of ion 2 on right wall = 0.590107179 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00853058816 Right electrode charge = -0.00853058816 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 140 -1.00 3.0000 1.5000 Na ion: 140 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74911 Bulk concentration of Na = 0.74876 ________________________________________________________________________ Average electrode charge 1 = 0.00701758269 Average electrode charge 2 = -0.00701758269 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.311590 -1.060000 -0.481795 ________________________________________________________________________ Electrode charge exchange: 0.0775967188 Move Jump Cl: 0.94339 0.39999 Na: 0.94343 0.39891 ________________________________________________________________________ Create NaCl : 125242. / 314484. = 0.39825 Destroy NaCl : 125302. / 315414. = 0.39726 ________________________________________________________________________ Potential at left wall /kT = 1.05954786 Potential at right wall /kT = -1.08139309 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3902013 Potential at right wall /mV = -27.9549189 ________________________________________________________________________ Capacitance of left DL = 0.0560594781 Capacitance of right DL = 0.05492702 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.65094067 Capacitance of right DL [F/m2] = 3.57718798 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.8894806 Adsorption of ion 1 on right wall = -3.44682178 Adsorption of ion 2 on left wall = -3.09023498 Adsorption of ion 2 on right wall = 4.60093407 ------------------------------------------------------------------------ net charge in left DL = -7.97971558 9.76674512 net charge in right DL = 8.04775585 -9.76674512 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.500625391 Relative adsorption of ion 1 on right wall = -0.352914071 Relative adsorption of ion 2 on left wall = -0.31640377 Relative adsorption of ion 2 on right wall = 0.471081615 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00665537813 Right electrode charge = -0.00665537813 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 137 -1.00 3.0000 1.5000 Na ion: 137 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74922 Bulk concentration of Na = 0.74911 ________________________________________________________________________ Average electrode charge 1 = 0.00700790456 Average electrode charge 2 = -0.00700790456 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.312201 -1.060000 -0.482406 ________________________________________________________________________ Electrode charge exchange: 0.0776931743 Move Jump Cl: 0.94328 0.39991 Na: 0.94349 0.39865 ________________________________________________________________________ Create NaCl : 131143. / 329478. = 0.39803 Destroy NaCl : 131206. / 330272. = 0.39727 ________________________________________________________________________ Potential at left wall /kT = 1.07579715 Potential at right wall /kT = -1.09897783 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8102591 Potential at right wall /mV = -28.4094991 ________________________________________________________________________ Capacitance of left DL = 0.043075765 Capacitance of right DL = 0.0421671703 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59579534 Capacitance of right DL [F/m2] = 3.51994943 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.88222058 Adsorption of ion 1 on right wall = -3.49086048 Adsorption of ion 2 on left wall = -3.11919395 Adsorption of ion 2 on right wall = 4.53346136 ------------------------------------------------------------------------ net charge in left DL = -8.00141452 7.61980073 net charge in right DL = 8.02432184 -7.61980073 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.640728117 Relative adsorption of ion 1 on right wall = -0.458130154 Relative adsorption of ion 2 on left wall = -0.409353742 Relative adsorption of ion 2 on right wall = 0.594957994 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00636072161 Right electrode charge = -0.00636072161 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 149 -1.00 3.0000 1.5000 Na ion: 149 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74921 Bulk concentration of Na = 0.74941 ________________________________________________________________________ Average electrode charge 1 = 0.00699701835 Average electrode charge 2 = -0.00699701835 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.312580 -1.060000 -0.482785 ________________________________________________________________________ Electrode charge exchange: 0.077382158 Move Jump Cl: 0.94321 0.39970 Na: 0.94332 0.39855 ________________________________________________________________________ Create NaCl : 137021. / 344348. = 0.39791 Destroy NaCl : 137072. / 345246. = 0.39703 ________________________________________________________________________ Potential at left wall /kT = 1.07990439 Potential at right wall /kT = -1.09884676 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9164347 Potential at right wall /mV = -28.4061109 ________________________________________________________________________ Capacitance of left DL = 0.0410120743 Capacitance of right DL = 0.0403050913 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.58211932 Capacitance of right DL [F/m2] = 3.52036928 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.80952672 Adsorption of ion 1 on right wall = -3.4794885 Adsorption of ion 2 on left wall = -3.21231927 Adsorption of ion 2 on right wall = 4.50348435 ------------------------------------------------------------------------ net charge in left DL = -8.02184599 7.2824459 net charge in right DL = 7.98297285 -7.2824459 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.660427387 Relative adsorption of ion 1 on right wall = -0.477791191 Relative adsorption of ion 2 on left wall = -0.441104447 Relative adsorption of ion 2 on right wall = 0.61840272 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00681337671 Right electrode charge = -0.00681337671 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 144 -1.00 3.0000 1.5000 Na ion: 144 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74788 Bulk concentration of Na = 0.74793 ________________________________________________________________________ Average electrode charge 1 = 0.00700394014 Average electrode charge 2 = -0.00700394014 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.308835 -1.060000 -0.479039 ________________________________________________________________________ Electrode charge exchange: 0.0773129403 Move Jump Cl: 0.94327 0.40003 Na: 0.94331 0.39875 ________________________________________________________________________ Create NaCl : 142989. / 359183. = 0.39810 Destroy NaCl : 143045. / 360396. = 0.39691 ________________________________________________________________________ Potential at left wall /kT = 1.08907997 Potential at right wall /kT = -1.10849544 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1536313 Potential at right wall /mV = -28.6555374 ________________________________________________________________________ Capacitance of left DL = 0.0435605428 Capacitance of right DL = 0.0427975731 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.55193968 Capacitance of right DL [F/m2] = 3.48972691 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.86010402 Adsorption of ion 1 on right wall = -3.42666959 Adsorption of ion 2 on left wall = -3.16157503 Adsorption of ion 2 on right wall = 4.58485275 ------------------------------------------------------------------------ net charge in left DL = -8.02167905 7.8006947 net charge in right DL = 8.01152234 -7.8006947 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.623034769 Relative adsorption of ion 1 on right wall = -0.43927749 Relative adsorption of ion 2 on left wall = -0.405294035 Relative adsorption of ion 2 on right wall = 0.587749287 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00582396934 Right electrode charge = -0.00582396934 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 156 -1.00 3.0000 1.5000 Na ion: 156 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74842 Bulk concentration of Na = 0.74876 ________________________________________________________________________ Average electrode charge 1 = 0.00700997608 Average electrode charge 2 = -0.00700997608 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.310675 -1.060000 -0.480880 ________________________________________________________________________ Electrode charge exchange: 0.0774343791 Move Jump Cl: 0.94320 0.39983 Na: 0.94353 0.39857 ________________________________________________________________________ Create NaCl : 148876. / 374062. = 0.39800 Destroy NaCl : 148920. / 375419. = 0.39668 ________________________________________________________________________ Potential at left wall /kT = 1.09277127 Potential at right wall /kT = -1.12190413 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2490543 Potential at right wall /mV = -29.0021632 ________________________________________________________________________ Capacitance of left DL = 0.0371091038 Capacitance of right DL = 0.0361454792 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.53994152 Capacitance of right DL [F/m2] = 3.44801866 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.8360857 Adsorption of ion 1 on right wall = -3.47846763 Adsorption of ion 2 on left wall = -3.22498422 Adsorption of ion 2 on right wall = 4.51663311 ------------------------------------------------------------------------ net charge in left DL = -8.06106992 6.66791353 net charge in right DL = 7.99510075 -6.66791353 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.725277207 Relative adsorption of ion 1 on right wall = -0.521672577 Relative adsorption of ion 2 on left wall = -0.483657175 Relative adsorption of ion 2 on right wall = 0.677368279 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.007692046 Right electrode charge = -0.007692046 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 149 -1.00 3.0000 1.5000 Na ion: 149 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74835 Bulk concentration of Na = 0.74832 ________________________________________________________________________ Average electrode charge 1 = 0.00699037662 Average electrode charge 2 = -0.00699037662 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.309997 -1.060000 -0.480202 ________________________________________________________________________ Electrode charge exchange: 0.0772667913 Move Jump Cl: 0.94326 0.39982 Na: 0.94360 0.39854 ________________________________________________________________________ Create NaCl : 154884. / 388993. = 0.39817 Destroy NaCl : 154935. / 390450. = 0.39681 ________________________________________________________________________ Potential at left wall /kT = 1.08342974 Potential at right wall /kT = -1.11233095 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0075681 Potential at right wall /mV = -28.7546884 ________________________________________________________________________ Capacitance of left DL = 0.049434685 Capacitance of right DL = 0.0481502455 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.57046351 Capacitance of right DL [F/m2] = 3.47769374 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.81693762 Adsorption of ion 1 on right wall = -3.50981046 Adsorption of ion 2 on left wall = -3.18179924 Adsorption of ion 2 on right wall = 4.49452448 ------------------------------------------------------------------------ net charge in left DL = -7.99873686 8.80669087 net charge in right DL = 8.00433493 -8.80669087 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.546963405 Relative adsorption of ion 1 on right wall = -0.398539078 Relative adsorption of ion 2 on left wall = -0.361293395 Relative adsorption of ion 2 on right wall = 0.510353383 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00987118856 Right electrode charge = -0.00987118856 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 140 -1.00 3.0000 1.5000 Na ion: 140 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74827 Bulk concentration of Na = 0.74820 ________________________________________________________________________ Average electrode charge 1 = 0.00700784167 Average electrode charge 2 = -0.00700784167 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.309725 -1.060000 -0.479930 ________________________________________________________________________ Electrode charge exchange: 0.0772937928 Move Jump Cl: 0.94297 0.39981 Na: 0.94340 0.39855 ________________________________________________________________________ Create NaCl : 160807. / 403939. = 0.39810 Destroy NaCl : 160867. / 405445. = 0.39677 ________________________________________________________________________ Potential at left wall /kT = 1.07603102 Potential at right wall /kT = -1.10563673 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8163048 Potential at right wall /mV = -28.5816373 ________________________________________________________________________ Capacitance of left DL = 0.0638756467 Capacitance of right DL = 0.062165244 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59501381 Capacitance of right DL [F/m2] = 3.49874987 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.83478715 Adsorption of ion 1 on right wall = -3.52325174 Adsorption of ion 2 on left wall = -3.1741273 Adsorption of ion 2 on right wall = 4.49910171 ------------------------------------------------------------------------ net charge in left DL = -8.00891445 11.3016103 net charge in right DL = 8.02235345 -11.3016103 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.427796308 Relative adsorption of ion 1 on right wall = -0.311747765 Relative adsorption of ion 2 on left wall = -0.280856199 Relative adsorption of ion 2 on right wall = 0.398093865 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00847543865 Right electrode charge = -0.00847543865 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 162 -1.00 3.0000 1.5000 Na ion: 162 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74876 Bulk concentration of Na = 0.74857 ________________________________________________________________________ Average electrode charge 1 = 0.00701102082 Average electrode charge 2 = -0.00701102082 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.310867 -1.060000 -0.481071 ________________________________________________________________________ Electrode charge exchange: 0.0770592498 Move Jump Cl: 0.94286 0.39981 Na: 0.94342 0.39844 ________________________________________________________________________ Create NaCl : 166712. / 418983. = 0.39790 Destroy NaCl : 166750. / 420438. = 0.39661 ________________________________________________________________________ Potential at left wall /kT = 1.08396953 Potential at right wall /kT = -1.115636 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0215221 Potential at right wall /mV = -28.8401269 ________________________________________________________________________ Capacitance of left DL = 0.0544422118 Capacitance of right DL = 0.0528969116 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.56868551 Capacitance of right DL [F/m2] = 3.46739112 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.80544897 Adsorption of ion 1 on right wall = -3.56418734 Adsorption of ion 2 on left wall = -3.20047218 Adsorption of ion 2 on right wall = 4.47765342 ------------------------------------------------------------------------ net charge in left DL = -8.00592114 9.70360397 net charge in right DL = 8.04184076 -9.70360397 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495223113 Relative adsorption of ion 1 on right wall = -0.367305524 Relative adsorption of ion 2 on left wall = -0.329823041 Relative adsorption of ion 2 on right wall = 0.461442309 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00936877495 Right electrode charge = -0.00936877495 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 154 -1.00 3.0000 1.5000 Na ion: 154 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74910 Bulk concentration of Na = 0.74865 ________________________________________________________________________ Average electrode charge 1 = 0.00698753989 Average electrode charge 2 = -0.00698753989 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.311433 -1.060000 -0.481638 ________________________________________________________________________ Electrode charge exchange: 0.0770174584 Move Jump Cl: 0.94288 0.39990 Na: 0.94342 0.39841 ________________________________________________________________________ Create NaCl : 172684. / 434004. = 0.39789 Destroy NaCl : 172730. / 435491. = 0.39663 ________________________________________________________________________ Potential at left wall /kT = 1.06531112 Potential at right wall /kT = -1.09534608 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5391864 Potential at right wall /mV = -28.3156155 ________________________________________________________________________ Capacitance of left DL = 0.0612346161 Capacitance of right DL = 0.0595555308 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.63118933 Capacitance of right DL [F/m2] = 3.53162022 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.71976391 Adsorption of ion 1 on right wall = -3.58106425 Adsorption of ion 2 on left wall = -3.22329661 Adsorption of ion 2 on right wall = 4.44996948 ------------------------------------------------------------------------ net charge in left DL = -7.94306052 10.7263925 net charge in right DL = 8.03103373 -10.7263925 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.440014096 Relative adsorption of ion 1 on right wall = -0.333855417 Relative adsorption of ion 2 on left wall = -0.30050146 Relative adsorption of ion 2 on right wall = 0.414861704 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00777974709 Right electrode charge = -0.00777974709 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 153 -1.00 3.0000 1.5000 Na ion: 153 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74933 Bulk concentration of Na = 0.74885 ________________________________________________________________________ Average electrode charge 1 = 0.00699232944 Average electrode charge 2 = -0.00699232944 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.312004 -1.060000 -0.482208 ________________________________________________________________________ Electrode charge exchange: 0.0773119025 Move Jump Cl: 0.94288 0.39986 Na: 0.94338 0.39843 ________________________________________________________________________ Create NaCl : 178647. / 449102. = 0.39779 Destroy NaCl : 178694. / 450419. = 0.39673 ________________________________________________________________________ Potential at left wall /kT = 1.08037595 Potential at right wall /kT = -1.10529022 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9286251 Potential at right wall /mV = -28.5726797 ________________________________________________________________________ Capacitance of left DL = 0.0501396412 Capacitance of right DL = 0.0490094473 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.58055578 Capacitance of right DL [F/m2] = 3.49984674 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.69868633 Adsorption of ion 1 on right wall = -3.60425756 Adsorption of ion 2 on left wall = -3.2534892 Adsorption of ion 2 on right wall = 4.44237024 ------------------------------------------------------------------------ net charge in left DL = -7.95217553 8.90710061 net charge in right DL = 8.0466278 -8.90710061 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.527521416 Relative adsorption of ion 1 on right wall = -0.404649921 Relative adsorption of ion 2 on left wall = -0.365269165 Relative adsorption of ion 2 on right wall = 0.498744815 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00717140997 Right electrode charge = -0.00717140997 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 143 -1.00 3.0000 1.5000 Na ion: 143 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.75005 Bulk concentration of Na = 0.74961 ________________________________________________________________________ Average electrode charge 1 = 0.00698235122 Average electrode charge 2 = -0.00698235122 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.313978 -1.060000 -0.484182 ________________________________________________________________________ Electrode charge exchange: 0.0774913684 Move Jump Cl: 0.94286 0.39972 Na: 0.94337 0.39830 ________________________________________________________________________ Create NaCl : 184549. / 464051. = 0.39769 Destroy NaCl : 184606. / 465204. = 0.39683 ________________________________________________________________________ Potential at left wall /kT = 1.06910825 Potential at right wall /kT = -1.09479396 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6373454 Potential at right wall /mV = -28.3013425 ________________________________________________________________________ Capacitance of left DL = 0.0467060912 Capacitance of right DL = 0.0456102878 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.61829251 Capacitance of right DL [F/m2] = 3.53340128 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.66565913 Adsorption of ion 1 on right wall = -3.62583119 Adsorption of ion 2 on left wall = -3.27246539 Adsorption of ion 2 on right wall = 4.39977654 ------------------------------------------------------------------------ net charge in left DL = -7.93812452 8.21061011 net charge in right DL = 8.02560773 -8.21061011 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.568247556 Relative adsorption of ion 1 on right wall = -0.441603138 Relative adsorption of ion 2 on left wall = -0.398565435 Relative adsorption of ion 2 on right wall = 0.535864751 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0091057654 Right electrode charge = -0.0091057654 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 143 -1.00 3.0000 1.5000 Na ion: 143 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.75012 Bulk concentration of Na = 0.74955 ________________________________________________________________________ Average electrode charge 1 = 0.00700169723 Average electrode charge 2 = -0.00700169723 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.313999 -1.060000 -0.484204 ________________________________________________________________________ Electrode charge exchange: 0.0776273265 Move Jump Cl: 0.94282 0.39960 Na: 0.94335 0.39828 ________________________________________________________________________ Create NaCl : 190504. / 479207. = 0.39754 Destroy NaCl : 190561. / 480121. = 0.39690 ________________________________________________________________________ Potential at left wall /kT = 1.08375746 Potential at right wall /kT = -1.10693053 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0160398 Potential at right wall /mV = -28.6150831 ________________________________________________________________________ Capacitance of left DL = 0.0585025787 Capacitance of right DL = 0.0572778547 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.56938384 Capacitance of right DL [F/m2] = 3.49466047 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.74046561 Adsorption of ion 1 on right wall = -3.65582554 Adsorption of ion 2 on left wall = -3.21575605 Adsorption of ion 2 on right wall = 4.41117155 ------------------------------------------------------------------------ net charge in left DL = -7.95622166 10.4252706 net charge in right DL = 8.06699709 -10.4252706 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.45470912 Relative adsorption of ion 1 on right wall = -0.350669607 Relative adsorption of ion 2 on left wall = -0.308457802 Relative adsorption of ion 2 on right wall = 0.423122979 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.007075107 Right electrode charge = -0.007075107 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 147 -1.00 3.0000 1.5000 Na ion: 147 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74970 Bulk concentration of Na = 0.74917 ________________________________________________________________________ Average electrode charge 1 = 0.00701121768 Average electrode charge 2 = -0.00701121768 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.312933 -1.060000 -0.483138 ________________________________________________________________________ Electrode charge exchange: 0.0776107519 Move Jump Cl: 0.94296 0.39950 Na: 0.94349 0.39835 ________________________________________________________________________ Create NaCl : 196430. / 494225. = 0.39745 Destroy NaCl : 196483. / 494993. = 0.39694 ________________________________________________________________________ Potential at left wall /kT = 1.08490504 Potential at right wall /kT = -1.10646852 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0457056 Potential at right wall /mV = -28.6031399 ________________________________________________________________________ Capacitance of left DL = 0.0454079546 Capacitance of right DL = 0.0445230185 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.56560827 Capacitance of right DL [F/m2] = 3.49611967 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.74572731 Adsorption of ion 1 on right wall = -3.63427471 Adsorption of ion 2 on left wall = -3.22487339 Adsorption of ion 2 on right wall = 4.43988519 ------------------------------------------------------------------------ net charge in left DL = -7.97060071 8.10035199 net charge in right DL = 8.0741599 -8.10035199 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.585866802 Relative adsorption of ion 1 on right wall = -0.448656393 Relative adsorption of ion 2 on left wall = -0.398115217 Relative adsorption of ion 2 on right wall = 0.548110156 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00474553018 Right electrode charge = -0.00474553018 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 150 -1.00 3.0000 1.5000 Na ion: 150 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74951 Bulk concentration of Na = 0.74900 ________________________________________________________________________ Average electrode charge 1 = 0.00701464501 Average electrode charge 2 = -0.00701464501 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.312447 -1.060000 -0.482652 ________________________________________________________________________ Electrode charge exchange: 0.0776318685 Move Jump Cl: 0.94293 0.39946 Na: 0.94359 0.39826 ________________________________________________________________________ Create NaCl : 202363. / 509143. = 0.39746 Destroy NaCl : 202413. / 510010. = 0.39688 ________________________________________________________________________ Potential at left wall /kT = 1.07512439 Potential at right wall /kT = -1.09609428 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7928678 Potential at right wall /mV = -28.3349569 ________________________________________________________________________ Capacitance of left DL = 0.0307338294 Capacitance of right DL = 0.0301458464 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59804539 Capacitance of right DL [F/m2] = 3.52920953 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.72258411 Adsorption of ion 1 on right wall = -3.60156491 Adsorption of ion 2 on left wall = -3.24654499 Adsorption of ion 2 on right wall = 4.46748246 ------------------------------------------------------------------------ net charge in left DL = -7.9691291 5.43319908 net charge in right DL = 8.06904737 -5.43319908 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.869208737 Relative adsorption of ion 1 on right wall = -0.662881086 Relative adsorption of ion 2 on left wall = -0.597538382 Relative adsorption of ion 2 on right wall = 0.822256353 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00892273632 Right electrode charge = -0.00892273632 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 146 -1.00 3.0000 1.5000 Na ion: 146 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74935 Bulk concentration of Na = 0.74863 ________________________________________________________________________ Average electrode charge 1 = 0.00703347885 Average electrode charge 2 = -0.00703347885 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.311735 -1.060000 -0.481940 ________________________________________________________________________ Electrode charge exchange: 0.0776431325 Move Jump Cl: 0.94288 0.39949 Na: 0.94365 0.39821 ________________________________________________________________________ Create NaCl : 208330. / 524203. = 0.39742 Destroy NaCl : 208384. / 525060. = 0.39688 ________________________________________________________________________ Potential at left wall /kT = 1.08969339 Potential at right wall /kT = -1.10526076 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1694885 Potential at right wall /mV = -28.5719183 ________________________________________________________________________ Capacitance of left DL = 0.0570143788 Capacitance of right DL = 0.0562113426 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.54994021 Capacitance of right DL [F/m2] = 3.49994001 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.73641156 Adsorption of ion 1 on right wall = -3.61472844 Adsorption of ion 2 on left wall = -3.24105876 Adsorption of ion 2 on right wall = 4.50109363 ------------------------------------------------------------------------ net charge in left DL = -7.97747032 10.215719 net charge in right DL = 8.11582206 -10.215719 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.46363957 Relative adsorption of ion 1 on right wall = -0.353839846 Relative adsorption of ion 2 on left wall = -0.317261933 Relative adsorption of ion 2 on right wall = 0.440604683 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00531699516 Right electrode charge = -0.00531699516 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 148 -1.00 3.0000 1.5000 Na ion: 148 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74912 Bulk concentration of Na = 0.74854 ________________________________________________________________________ Average electrode charge 1 = 0.00702483124 Average electrode charge 2 = -0.00702483124 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.311302 -1.060000 -0.481507 ________________________________________________________________________ Electrode charge exchange: 0.0776596777 Move Jump Cl: 0.94287 0.39958 Na: 0.94355 0.39827 ________________________________________________________________________ Create NaCl : 214268. / 539124. = 0.39744 Destroy NaCl : 214320. / 540177. = 0.39676 ________________________________________________________________________ Potential at left wall /kT = 1.08641916 Potential at right wall /kT = -1.09883524 ------------------------------------------------------------------------ Potential at left wall /mV = 28.084847 Potential at right wall /mV = -28.405813 ________________________________________________________________________ Capacitance of left DL = 0.0340768546 Capacitance of right DL = 0.0336918098 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.56063894 Capacitance of right DL [F/m2] = 3.52040619 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.70395304 Adsorption of ion 1 on right wall = -3.5970178 Adsorption of ion 2 on left wall = -3.27389703 Adsorption of ion 2 on right wall = 4.49294787 ------------------------------------------------------------------------ net charge in left DL = -7.97785007 6.08747435 net charge in right DL = 8.08996567 -6.08747435 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.772726547 Relative adsorption of ion 1 on right wall = -0.59088837 Relative adsorption of ion 2 on left wall = -0.53780876 Relative adsorption of ion 2 on right wall = 0.738064362 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00617231809 Right electrode charge = -0.00617231809 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 142 -1.00 3.0000 1.5000 Na ion: 142 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74908 Bulk concentration of Na = 0.74862 ________________________________________________________________________ Average electrode charge 1 = 0.00701704468 Average electrode charge 2 = -0.00701704468 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.311362 -1.060000 -0.481566 ________________________________________________________________________ Electrode charge exchange: 0.0776972661 Move Jump Cl: 0.94302 0.39957 Na: 0.94347 0.39837 ________________________________________________________________________ Create NaCl : 220197. / 553931. = 0.39752 Destroy NaCl : 220255. / 555161. = 0.39674 ________________________________________________________________________ Potential at left wall /kT = 1.0930272 Potential at right wall /kT = -1.10518157 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2556704 Potential at right wall /mV = -28.569871 ________________________________________________________________________ Capacitance of left DL = 0.0393194996 Capacitance of right DL = 0.0388870786 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.53911263 Capacitance of right DL [F/m2] = 3.50019081 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.72592338 Adsorption of ion 1 on right wall = -3.62710139 Adsorption of ion 2 on left wall = -3.26007302 Adsorption of ion 2 on right wall = 4.44755356 ------------------------------------------------------------------------ net charge in left DL = -7.9859964 7.06674106 net charge in right DL = 8.07465495 -7.06674106 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.668755703 Relative adsorption of ion 1 on right wall = -0.513263662 Relative adsorption of ion 2 on left wall = -0.461326231 Relative adsorption of ion 2 on right wall = 0.629364161 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100258479 Right electrode charge = -0.0100258479 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 153 -1.00 3.0000 1.5000 Na ion: 153 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74912 Bulk concentration of Na = 0.74865 ________________________________________________________________________ Average electrode charge 1 = 0.00704735809 Average electrode charge 2 = -0.00704735809 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.311447 -1.060000 -0.481652 ________________________________________________________________________ Electrode charge exchange: 0.0776240519 Move Jump Cl: 0.94305 0.39942 Na: 0.94342 0.39836 ________________________________________________________________________ Create NaCl : 226089. / 568970. = 0.39737 Destroy NaCl : 226136. / 570172. = 0.39661 ________________________________________________________________________ Potential at left wall /kT = 1.0766674 Potential at right wall /kT = -1.08871978 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8327558 Potential at right wall /mV = -28.1443199 ________________________________________________________________________ Capacitance of left DL = 0.0648380879 Capacitance of right DL = 0.0641203155 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59288892 Capacitance of right DL [F/m2] = 3.55311482 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.68609738 Adsorption of ion 1 on right wall = -3.6208013 Adsorption of ion 2 on left wall = -3.32097565 Adsorption of ion 2 on right wall = 4.477709 ------------------------------------------------------------------------ net charge in left DL = -8.00707303 11.4786811 net charge in right DL = 8.0985103 -11.4786811 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.408243539 Relative adsorption of ion 1 on right wall = -0.315437051 Relative adsorption of ion 2 on left wall = -0.289316833 Relative adsorption of ion 2 on right wall = 0.390089155 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.006191268 Right electrode charge = -0.006191268 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 144 -1.00 3.0000 1.5000 Na ion: 144 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74903 Bulk concentration of Na = 0.74859 ________________________________________________________________________ Average electrode charge 1 = 0.00705957098 Average electrode charge 2 = -0.00705957098 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.311257 -1.060000 -0.481462 ________________________________________________________________________ Electrode charge exchange: 0.0776946204 Move Jump Cl: 0.94300 0.39948 Na: 0.94329 0.39840 ________________________________________________________________________ Create NaCl : 231984. / 583966. = 0.39726 Destroy NaCl : 232040. / 585024. = 0.39663 ________________________________________________________________________ Potential at left wall /kT = 1.04606036 Potential at right wall /kT = -1.05694842 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0415383 Potential at right wall /mV = -27.3230037 ________________________________________________________________________ Capacitance of left DL = 0.0412110338 Capacitance of right DL = 0.0407865021 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.69801448 Capacitance of right DL [F/m2] = 3.65991972 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.71198695 Adsorption of ion 1 on right wall = -3.60295109 Adsorption of ion 2 on left wall = -3.29130736 Adsorption of ion 2 on right wall = 4.48627256 ------------------------------------------------------------------------ net charge in left DL = -8.0032943 7.08843698 net charge in right DL = 8.08922365 -7.08843698 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.66474273 Relative adsorption of ion 1 on right wall = -0.508285691 Relative adsorption of ion 2 on left wall = -0.464320607 Relative adsorption of ion 2 on right wall = 0.632900112 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00963524021 Right electrode charge = -0.00963524021 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 140 -1.00 3.0000 1.5000 Na ion: 140 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.74870 Bulk concentration of Na = 0.74830 ________________________________________________________________________ Average electrode charge 1 = 0.00706264105 Average electrode charge 2 = -0.00706264105 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.310418 -1.060000 -0.480622 ________________________________________________________________________ Electrode charge exchange: 0.0777061164 Move Jump Cl: 0.94292 0.39967 Na: 0.94335 0.39858 ________________________________________________________________________ Create NaCl : 238047. / 599164. = 0.39730 Destroy NaCl : 238107. / 600094. = 0.39678 ________________________________________________________________________ Potential at left wall /kT = 1.04267129 Potential at right wall /kT = -1.0553378 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9539278 Potential at right wall /mV = -27.2813677 ________________________________________________________________________ Capacitance of left DL = 0.0643436634 Capacitance of right DL = 0.0635713897 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.71003442 Capacitance of right DL [F/m2] = 3.66550537 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.72745103 Adsorption of ion 1 on right wall = -3.57425022 Adsorption of ion 2 on left wall = -3.28207864 Adsorption of ion 2 on right wall = 4.51343344 ------------------------------------------------------------------------ net charge in left DL = -8.00952968 11.0314709 net charge in right DL = 8.08768366 -11.0314709 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.428542219 Relative adsorption of ion 1 on right wall = -0.324004862 Relative adsorption of ion 2 on left wall = -0.297519584 Relative adsorption of ion 2 on right wall = 0.40914158 ________________________________________________________________________ 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 = 54.9646039 starting xl = 54.9646039 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 200 net charge on left wall /e = 18.8560937 net charge on right wall /e = -18.8560937 net charge on walls /e (starting) = 0. Initial sigma = 0.0164695165 net charge on walls = 0. N( 1) = 200 ----------------------------------------- nimax = 200 max = 2000 ntot = 400 max = 12000 ntry = 400 max = 12000 ----------------------------------------- vgc = 1 1.04357847E+11 Cl conc = 1. ----------------------------------------- iter = 2 1 1. 0.748295524 1 -15.8897954 -15.3104175 1 -1.06 -0.480622132 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 2 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00746532383 Right electrode charge = -0.00746532383 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.01666 Bulk concentration of Na = 1.01512 ________________________________________________________________________ Average electrode charge 1 = 0.00792228527 Average electrode charge 2 = -0.00792228527 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.341942 -0.480622 -0.512147 ________________________________________________________________________ Electrode charge exchange: 0.0776983029 Move Jump Cl: 0.93583 0.37583 Na: 0.93383 0.37291 ________________________________________________________________________ Create NaCl : 5509. / 15047. = 0.36612 Destroy NaCl : 5500. / 14971. = 0.36738 ________________________________________________________________________ Potential at left wall /kT = 0.275008703 Potential at right wall /kT = -0.262750235 ------------------------------------------------------------------------ Potential at left wall /mV = 7.10920576 Potential at right wall /mV = -6.79231407 ________________________________________________________________________ Capacitance of left DL = 0.189013518 Capacitance of right DL = 0.19783184 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 14.0662689 Capacitance of right DL [F/m2] = 14.722523 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.05925814 Adsorption of ion 1 on right wall = -4.47760852 Adsorption of ion 2 on left wall = -3.37005048 Adsorption of ion 2 on right wall = 4.25171619 ------------------------------------------------------------------------ net charge in left DL = -8.42930862 8.54711466 net charge in right DL = 8.72932472 -8.54711466 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.591925854 Relative adsorption of ion 1 on right wall = -0.523873693 Relative adsorption of ion 2 on left wall = -0.39429101 Relative adsorption of ion 2 on right wall = 0.497444618 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00848109382 Right electrode charge = -0.00848109382 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01885 Bulk concentration of Na = 1.02026 ________________________________________________________________________ Average electrode charge 1 = 0.00794389214 Average electrode charge 2 = -0.00794389214 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.349145 -0.480622 -0.519349 ________________________________________________________________________ Electrode charge exchange: 0.0776585258 Move Jump Cl: 0.93376 0.37262 Na: 0.93391 0.37312 ________________________________________________________________________ Create NaCl : 10954. / 30039. = 0.36466 Destroy NaCl : 10959. / 29964. = 0.36574 ________________________________________________________________________ Potential at left wall /kT = 0.776190526 Potential at right wall /kT = -0.649322922 ------------------------------------------------------------------------ Potential at left wall /mV = 20.0651765 Potential at right wall /mV = -16.7855424 ________________________________________________________________________ Capacitance of left DL = 0.0760806444 Capacitance of right DL = 0.0909456196 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.98375881 Capacitance of right DL [F/m2] = 5.9575078 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.88541532 Adsorption of ion 1 on right wall = -4.31899301 Adsorption of ion 2 on left wall = -4.11063675 Adsorption of ion 2 on right wall = 4.40275492 ------------------------------------------------------------------------ net charge in left DL = -8.99605207 9.71007863 net charge in right DL = 8.72174793 -9.71007863 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.503128297 Relative adsorption of ion 1 on right wall = -0.444794855 Relative adsorption of ion 2 on left wall = -0.423337123 Relative adsorption of ion 2 on right wall = 0.45342114 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0099976805 Right electrode charge = -0.0099976805 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01526 Bulk concentration of Na = 1.01756 ________________________________________________________________________ Average electrode charge 1 = 0.0077789098 Average electrode charge 2 = -0.0077789098 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.342974 -0.480622 -0.513178 ________________________________________________________________________ Electrode charge exchange: 0.077768928 Move Jump Cl: 0.93182 0.37111 Na: 0.93607 0.37231 ________________________________________________________________________ Create NaCl : 16501. / 45045. = 0.36632 Destroy NaCl : 16516. / 45008. = 0.36696 ________________________________________________________________________ Potential at left wall /kT = 0.788689006 Potential at right wall /kT = -0.722637904 ------------------------------------------------------------------------ Potential at left wall /mV = 20.3882727 Potential at right wall /mV = -18.6807963 ________________________________________________________________________ Capacitance of left DL = 0.0882641045 Capacitance of right DL = 0.0963316876 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.90478039 Capacitance of right DL [F/m2] = 5.35309087 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11211054 Adsorption of ion 1 on right wall = -4.15488946 Adsorption of ion 2 on left wall = -3.82438997 Adsorption of ion 2 on right wall = 4.33373226 ------------------------------------------------------------------------ net charge in left DL = -8.9365005 11.446432 net charge in right DL = 8.48862172 -11.446432 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.446611707 Relative adsorption of ion 1 on right wall = -0.362985554 Relative adsorption of ion 2 on left wall = -0.334111972 Relative adsorption of ion 2 on right wall = 0.378609881 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00854714152 Right electrode charge = -0.00854714152 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01532 Bulk concentration of Na = 1.01646 ________________________________________________________________________ Average electrode charge 1 = 0.00777631252 Average electrode charge 2 = -0.00777631252 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.341947 -0.480622 -0.512152 ________________________________________________________________________ Electrode charge exchange: 0.0777763924 Move Jump Cl: 0.93240 0.37213 Na: 0.93567 0.37219 ________________________________________________________________________ Create NaCl : 21991. / 60093. = 0.36595 Destroy NaCl : 21993. / 60018. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.09394223 Potential at right wall /kT = -1.04585866 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2793246 Potential at right wall /mV = -27.0363242 ________________________________________________________________________ Capacitance of left DL = 0.0544022875 Capacitance of right DL = 0.0569034436 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.53615235 Capacitance of right DL [F/m2] = 3.69872766 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.17321764 Adsorption of ion 1 on right wall = -3.90289069 Adsorption of ion 2 on left wall = -3.84437527 Adsorption of ion 2 on right wall = 4.89172473 ------------------------------------------------------------------------ net charge in left DL = -9.01759291 9.78569722 net charge in right DL = 8.79461542 -9.78569722 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5286509 Relative adsorption of ion 1 on right wall = -0.398836241 Relative adsorption of ion 2 on left wall = -0.392856552 Relative adsorption of ion 2 on right wall = 0.499885151 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00635474374 Right electrode charge = -0.00635474374 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01585 Bulk concentration of Na = 1.01680 ________________________________________________________________________ Average electrode charge 1 = 0.00780794299 Average electrode charge 2 = -0.00780794299 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.342797 -0.480622 -0.513002 ________________________________________________________________________ Electrode charge exchange: 0.0778339356 Move Jump Cl: 0.93216 0.37144 Na: 0.93537 0.37108 ________________________________________________________________________ Create NaCl : 27432. / 75159. = 0.36499 Destroy NaCl : 27433. / 75057. = 0.36550 ________________________________________________________________________ Potential at left wall /kT = 1.103302 Potential at right wall /kT = -1.06716292 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5212825 Potential at right wall /mV = -27.5870572 ________________________________________________________________________ Capacitance of left DL = 0.0401046094 Capacitance of right DL = 0.0414627369 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.5061537 Capacitance of right DL [F/m2] = 3.62488827 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.29580217 Adsorption of ion 1 on right wall = -3.6806445 Adsorption of ion 2 on left wall = -3.74617452 Adsorption of ion 2 on right wall = 5.17646548 ------------------------------------------------------------------------ net charge in left DL = -9.04197669 7.27560179 net charge in right DL = 8.85710997 -7.27560179 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.727885105 Relative adsorption of ion 1 on right wall = -0.505888668 Relative adsorption of ion 2 on left wall = -0.514895487 Relative adsorption of ion 2 on right wall = 0.711482792 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00791270028 Right electrode charge = -0.00791270028 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 206 -1.00 3.0000 1.5000 Na ion: 206 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02139 Bulk concentration of Na = 1.02330 ________________________________________________________________________ Average electrode charge 1 = 0.0079225217 Average electrode charge 2 = -0.0079225217 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.354611 -0.480622 -0.524816 ________________________________________________________________________ Electrode charge exchange: 0.0779049884 Move Jump Cl: 0.93221 0.36983 Na: 0.93403 0.37146 ________________________________________________________________________ Create NaCl : 32855. / 90184. = 0.36431 Destroy NaCl : 32849. / 89969. = 0.36511 ________________________________________________________________________ Potential at left wall /kT = 1.15960432 Potential at right wall /kT = -1.11886855 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9767447 Potential at right wall /mV = -28.923691 ________________________________________________________________________ Capacitance of left DL = 0.0475122443 Capacitance of right DL = 0.04924207 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33591926 Capacitance of right DL [F/m2] = 3.4573734 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07586966 Adsorption of ion 1 on right wall = -4.10453034 Adsorption of ion 2 on left wall = -4.2141756 Adsorption of ion 2 on right wall = 4.81369662 ------------------------------------------------------------------------ net charge in left DL = -9.29004525 9.05931988 net charge in right DL = 8.91822697 -9.05931988 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.560292574 Relative adsorption of ion 1 on right wall = -0.453072681 Relative adsorption of ion 2 on left wall = -0.465175715 Relative adsorption of ion 2 on right wall = 0.531352981 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00499756188 Right electrode charge = -0.00499756188 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02113 Bulk concentration of Na = 1.02189 ________________________________________________________________________ Average electrode charge 1 = 0.00798466252 Average electrode charge 2 = -0.00798466252 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.352983 -0.480622 -0.523188 ________________________________________________________________________ Electrode charge exchange: 0.0778797571 Move Jump Cl: 0.93232 0.36978 Na: 0.93322 0.37088 ________________________________________________________________________ Create NaCl : 38291. / 105215. = 0.36393 Destroy NaCl : 38296. / 104872. = 0.36517 ________________________________________________________________________ Potential at left wall /kT = 1.14749522 Potential at right wall /kT = -1.09739121 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6637145 Potential at right wall /mV = -28.3684837 ________________________________________________________________________ Capacitance of left DL = 0.0303248001 Capacitance of right DL = 0.0317093511 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37112198 Capacitance of right DL [F/m2] = 3.52503859 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.89583124 Adsorption of ion 1 on right wall = -3.90384972 Adsorption of ion 2 on left wall = -4.34234143 Adsorption of ion 2 on right wall = 5.18657761 ------------------------------------------------------------------------ net charge in left DL = -9.23817267 5.72175238 net charge in right DL = 9.09042733 -5.72175238 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.855652414 Relative adsorption of ion 1 on right wall = -0.682282185 Relative adsorption of ion 2 on left wall = -0.758918098 Relative adsorption of ion 2 on right wall = 0.906466633 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00791196599 Right electrode charge = -0.00791196599 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.02062 Bulk concentration of Na = 1.02134 ________________________________________________________________________ Average electrode charge 1 = 0.00796489952 Average electrode charge 2 = -0.00796489952 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.351945 -0.480622 -0.522149 ________________________________________________________________________ Electrode charge exchange: 0.0779215829 Move Jump Cl: 0.93232 0.37025 Na: 0.93375 0.37048 ________________________________________________________________________ Create NaCl : 43708. / 120064. = 0.36404 Destroy NaCl : 43696. / 119838. = 0.36463 ________________________________________________________________________ Potential at left wall /kT = 1.13388312 Potential at right wall /kT = -1.10338715 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3118302 Potential at right wall /mV = -28.5234838 ________________________________________________________________________ Capacitance of left DL = 0.048585511 Capacitance of right DL = 0.0499283419 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.41159182 Capacitance of right DL [F/m2] = 3.50588311 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.00174911 Adsorption of ion 1 on right wall = -4.12478214 Adsorption of ion 2 on left wall = -4.2062731 Adsorption of ion 2 on right wall = 4.94239982 ------------------------------------------------------------------------ net charge in left DL = -9.20802221 9.05847919 net charge in right DL = 9.06718195 -9.05847919 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.552162124 Relative adsorption of ion 1 on right wall = -0.455350402 Relative adsorption of ion 2 on left wall = -0.464346499 Relative adsorption of ion 2 on right wall = 0.54561033 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00865929787 Right electrode charge = -0.00865929787 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02063 Bulk concentration of Na = 1.02130 ________________________________________________________________________ Average electrode charge 1 = 0.00802402001 Average electrode charge 2 = -0.00802402001 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.351915 -0.480622 -0.522120 ________________________________________________________________________ Electrode charge exchange: 0.0779864646 Move Jump Cl: 0.93248 0.36912 Na: 0.93379 0.37130 ________________________________________________________________________ Create NaCl : 49207. / 135110. = 0.36420 Destroy NaCl : 49203. / 134935. = 0.36464 ________________________________________________________________________ Potential at left wall /kT = 1.07753248 Potential at right wall /kT = -1.04634738 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8551189 Potential at right wall /mV = -27.0489578 ________________________________________________________________________ Capacitance of left DL = 0.0559555233 Capacitance of right DL = 0.0576232093 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59000442 Capacitance of right DL [F/m2] = 3.69700012 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.87883047 Adsorption of ion 1 on right wall = -3.89232693 Adsorption of ion 2 on left wall = -4.35139497 Adsorption of ion 2 on right wall = 5.2082291 ------------------------------------------------------------------------ net charge in left DL = -9.23022545 9.91410601 net charge in right DL = 9.10055604 -9.91410601 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.492109977 Relative adsorption of ion 1 on right wall = -0.392604934 Relative adsorption of ion 2 on left wall = -0.438909466 Relative adsorption of ion 2 on right wall = 0.525335224 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00819388434 Right electrode charge = -0.00819388434 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01981 Bulk concentration of Na = 1.01986 ________________________________________________________________________ Average electrode charge 1 = 0.00798171792 Average electrode charge 2 = -0.00798171792 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.349702 -0.480622 -0.519907 ________________________________________________________________________ Electrode charge exchange: 0.0779123902 Move Jump Cl: 0.93234 0.36978 Na: 0.93371 0.37133 ________________________________________________________________________ Create NaCl : 54682. / 150173. = 0.36413 Destroy NaCl : 54681. / 150011. = 0.36451 ________________________________________________________________________ Potential at left wall /kT = 1.04106479 Potential at right wall /kT = -1.0165868 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9123986 Potential at right wall /mV = -26.2796219 ________________________________________________________________________ Capacitance of left DL = 0.0548027967 Capacitance of right DL = 0.0561223717 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.71575948 Capacitance of right DL [F/m2] = 3.80522979 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.65095762 Adsorption of ion 1 on right wall = -3.73894238 Adsorption of ion 2 on left wall = -4.45382129 Adsorption of ion 2 on right wall = 5.35649204 ------------------------------------------------------------------------ net charge in left DL = -9.10477892 9.38124997 net charge in right DL = 9.09543442 -9.38124997 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495771633 Relative adsorption of ion 1 on right wall = -0.398554819 Relative adsorption of ion 2 on left wall = -0.474757768 Relative adsorption of ion 2 on right wall = 0.5709785 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00685529211 Right electrode charge = -0.00685529211 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02058 Bulk concentration of Na = 1.02039 ________________________________________________________________________ Average electrode charge 1 = 0.00794318555 Average electrode charge 2 = -0.00794318555 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.350972 -0.480622 -0.521176 ________________________________________________________________________ Electrode charge exchange: 0.0777781406 Move Jump Cl: 0.93249 0.36950 Na: 0.93333 0.37062 ________________________________________________________________________ Create NaCl : 60145. / 165072. = 0.36436 Destroy NaCl : 60159. / 165113. = 0.36435 ________________________________________________________________________ Potential at left wall /kT = 1.09068171 Potential at right wall /kT = -1.08623825 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1950374 Potential at right wall /mV = -28.0801702 ________________________________________________________________________ Capacitance of left DL = 0.0437641592 Capacitance of right DL = 0.0439431846 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.54672344 Capacitance of right DL [F/m2] = 3.56123197 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.48984204 Adsorption of ion 1 on right wall = -3.80083221 Adsorption of ion 2 on left wall = -4.58607007 Adsorption of ion 2 on right wall = 5.31158599 ------------------------------------------------------------------------ net charge in left DL = -9.07591211 7.848684 net charge in right DL = 9.1124182 -7.848684 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5720503 Relative adsorption of ion 1 on right wall = -0.48426363 Relative adsorption of ion 2 on left wall = -0.584310704 Relative adsorption of ion 2 on right wall = 0.676748611 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00859035076 Right electrode charge = -0.00859035076 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02000 Bulk concentration of Na = 1.02005 ________________________________________________________________________ Average electrode charge 1 = 0.00792260958 Average electrode charge 2 = -0.00792260958 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.350076 -0.480622 -0.520280 ________________________________________________________________________ Electrode charge exchange: 0.077676119 Move Jump Cl: 0.93259 0.36925 Na: 0.93318 0.37068 ________________________________________________________________________ Create NaCl : 65603. / 180042. = 0.36438 Destroy NaCl : 65601. / 180115. = 0.36422 ________________________________________________________________________ Potential at left wall /kT = 1.06863705 Potential at right wall /kT = -1.06854861 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6251644 Potential at right wall /mV = -27.6228784 ________________________________________________________________________ Capacitance of left DL = 0.0559720643 Capacitance of right DL = 0.0559766966 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.61988796 Capacitance of right DL [F/m2] = 3.62018754 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.31417382 Adsorption of ion 1 on right wall = -3.59144424 Adsorption of ion 2 on left wall = -4.74886759 Adsorption of ion 2 on right wall = 5.46276713 ------------------------------------------------------------------------ net charge in left DL = -9.06304141 9.83516785 net charge in right DL = 9.05421137 -9.83516785 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.438647706 Relative adsorption of ion 1 on right wall = -0.365163492 Relative adsorption of ion 2 on left wall = -0.482845607 Relative adsorption of ion 2 on right wall = 0.555432018 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00875456769 Right electrode charge = -0.00875456769 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02107 Bulk concentration of Na = 1.02106 ________________________________________________________________________ Average electrode charge 1 = 0.00793816972 Average electrode charge 2 = -0.00793816972 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.352112 -0.480622 -0.522317 ________________________________________________________________________ Electrode charge exchange: 0.0777246837 Move Jump Cl: 0.93280 0.36919 Na: 0.93332 0.37034 ________________________________________________________________________ Create NaCl : 71131. / 195059. = 0.36466 Destroy NaCl : 71133. / 195087. = 0.36462 ________________________________________________________________________ Potential at left wall /kT = 1.09585097 Potential at right wall /kT = -1.09130458 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3286672 Potential at right wall /mV = -28.2111391 ________________________________________________________________________ Capacitance of left DL = 0.0556254916 Capacitance of right DL = 0.0558572283 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.52999311 Capacitance of right DL [F/m2] = 3.54469912 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.39917754 Adsorption of ion 1 on right wall = -3.72289297 Adsorption of ion 2 on left wall = -4.691171 Adsorption of ion 2 on right wall = 5.37000207 ------------------------------------------------------------------------ net charge in left DL = -9.09034854 10.0231813 net charge in right DL = 9.09289505 -10.0231813 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.438900328 Relative adsorption of ion 1 on right wall = -0.37142828 Relative adsorption of ion 2 on left wall = -0.468032143 Relative adsorption of ion 2 on right wall = 0.535758252 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00520228486 Right electrode charge = -0.00520228486 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02122 Bulk concentration of Na = 1.02120 ________________________________________________________________________ Average electrode charge 1 = 0.007925184 Average electrode charge 2 = -0.007925184 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.352395 -0.480622 -0.522599 ________________________________________________________________________ Electrode charge exchange: 0.0777748647 Move Jump Cl: 0.93266 0.36865 Na: 0.93344 0.36995 ________________________________________________________________________ Create NaCl : 76525. / 210129. = 0.36418 Destroy NaCl : 76539. / 210028. = 0.36442 ________________________________________________________________________ Potential at left wall /kT = 1.15379457 Potential at right wall /kT = -1.14650968 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8265578 Potential at right wall /mV = -29.6382374 ________________________________________________________________________ Capacitance of left DL = 0.0313946967 Capacitance of right DL = 0.0315941776 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35271675 Capacitance of right DL [F/m2] = 3.3740198 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.4909294 Adsorption of ion 1 on right wall = -3.74609917 Adsorption of ion 2 on left wall = -4.6212505 Adsorption of ion 2 on right wall = 5.36897569 ------------------------------------------------------------------------ net charge in left DL = -9.1121799 5.95614152 net charge in right DL = 9.11507487 -5.95614152 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.75399978 Relative adsorption of ion 1 on right wall = -0.628947308 Relative adsorption of ion 2 on left wall = -0.775879902 Relative adsorption of ion 2 on right wall = 0.901418422 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00816175238 Right electrode charge = -0.00816175238 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02078 Bulk concentration of Na = 1.02067 ________________________________________________________________________ Average electrode charge 1 = 0.00783452065 Average electrode charge 2 = -0.00783452065 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.351443 -0.480622 -0.521648 ________________________________________________________________________ Electrode charge exchange: 0.0778279885 Move Jump Cl: 0.93274 0.36885 Na: 0.93354 0.36980 ________________________________________________________________________ Create NaCl : 82064. / 225337. = 0.36418 Destroy NaCl : 82070. / 224960. = 0.36482 ________________________________________________________________________ Potential at left wall /kT = 1.10796728 Potential at right wall /kT = -1.10049715 ------------------------------------------------------------------------ Potential at left wall /mV = 28.6418839 Potential at right wall /mV = -28.448775 ________________________________________________________________________ Capacitance of left DL = 0.0512917047 Capacitance of right DL = 0.0516398704 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.49139045 Capacitance of right DL [F/m2] = 3.51508985 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.46692372 Adsorption of ion 1 on right wall = -3.76465295 Adsorption of ion 2 on left wall = -4.50811535 Adsorption of ion 2 on right wall = 5.23123021 ------------------------------------------------------------------------ net charge in left DL = -8.97503907 9.34446182 net charge in right DL = 8.99588316 -9.34446182 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478028998 Relative adsorption of ion 1 on right wall = -0.402875309 Relative adsorption of ion 2 on left wall = -0.482437131 Relative adsorption of ion 2 on right wall = 0.559821455 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00691822272 Right electrode charge = -0.00691822272 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01991 Bulk concentration of Na = 1.01964 ________________________________________________________________________ Average electrode charge 1 = 0.00779089241 Average electrode charge 2 = -0.00779089241 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.349580 -0.480622 -0.519785 ________________________________________________________________________ Electrode charge exchange: 0.0779469661 Move Jump Cl: 0.93277 0.36900 Na: 0.93347 0.36968 ________________________________________________________________________ Create NaCl : 87587. / 240465. = 0.36424 Destroy NaCl : 87596. / 240041. = 0.36492 ________________________________________________________________________ Potential at left wall /kT = 1.08479764 Potential at right wall /kT = -1.07958995 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0429294 Potential at right wall /mV = -27.9083062 ________________________________________________________________________ Capacitance of left DL = 0.0444054688 Capacitance of right DL = 0.0446196705 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.56596126 Capacitance of right DL [F/m2] = 3.58316263 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.52043754 Adsorption of ion 1 on right wall = -3.75717079 Adsorption of ion 2 on left wall = -4.37623132 Adsorption of ion 2 on right wall = 5.19297076 ------------------------------------------------------------------------ net charge in left DL = -8.89666886 7.92073381 net charge in right DL = 8.95014155 -7.92073381 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.570709438 Relative adsorption of ion 1 on right wall = -0.474346302 Relative adsorption of ion 2 on left wall = -0.552503269 Relative adsorption of ion 2 on right wall = 0.655617382 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00683048899 Right electrode charge = -0.00683048899 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.02058 Bulk concentration of Na = 1.02068 ________________________________________________________________________ Average electrode charge 1 = 0.007780539 Average electrode charge 2 = -0.007780539 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.351254 -0.480622 -0.521458 ________________________________________________________________________ Electrode charge exchange: 0.0779622163 Move Jump Cl: 0.93289 0.36936 Na: 0.93303 0.36943 ________________________________________________________________________ Create NaCl : 93067. / 255561. = 0.36417 Destroy NaCl : 93069. / 254971. = 0.36502 ________________________________________________________________________ Potential at left wall /kT = 1.08848545 Potential at right wall /kT = -1.0862935 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1382623 Potential at right wall /mV = -28.0815987 ________________________________________________________________________ Capacitance of left DL = 0.0436938005 Capacitance of right DL = 0.0437819667 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.55387973 Capacitance of right DL [F/m2] = 3.56105082 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.49314932 Adsorption of ion 1 on right wall = -3.69497814 Adsorption of ion 2 on left wall = -4.43066144 Adsorption of ion 2 on right wall = 5.21003072 ------------------------------------------------------------------------ net charge in left DL = -8.92381076 7.82028669 net charge in right DL = 8.90500885 -7.82028669 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.57455046 Relative adsorption of ion 1 on right wall = -0.472486276 Relative adsorption of ion 2 on left wall = -0.566559976 Relative adsorption of ion 2 on right wall = 0.666219913 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00290317303 Right electrode charge = -0.00290317303 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01953 Bulk concentration of Na = 1.01990 ________________________________________________________________________ Average electrode charge 1 = 0.00779434118 Average electrode charge 2 = -0.00779434118 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.349460 -0.480622 -0.519665 ________________________________________________________________________ Electrode charge exchange: 0.077924615 Move Jump Cl: 0.93266 0.36932 Na: 0.93293 0.36964 ________________________________________________________________________ Create NaCl : 98537. / 270528. = 0.36424 Destroy NaCl : 98542. / 269900. = 0.36511 ________________________________________________________________________ Potential at left wall /kT = 1.11848781 Potential at right wall /kT = -1.12074141 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9138484 Potential at right wall /mV = -28.972106 ________________________________________________________________________ Capacitance of left DL = 0.0180730862 Capacitance of right DL = 0.0180367445 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.45855033 Capacitance of right DL [F/m2] = 3.45159582 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.54907641 Adsorption of ion 1 on right wall = -3.64324489 Adsorption of ion 2 on left wall = -4.43446167 Adsorption of ion 2 on right wall = 5.26868555 ------------------------------------------------------------------------ net charge in left DL = -8.98353808 3.32386823 net charge in right DL = 8.91193044 -3.32386823 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.36860913 Relative adsorption of ion 1 on right wall = -1.09608584 Relative adsorption of ion 2 on left wall = -1.3341268 Relative adsorption of ion 2 on right wall = 1.58510662 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00699875198 Right electrode charge = -0.00699875198 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01778 Bulk concentration of Na = 1.01818 ________________________________________________________________________ Average electrode charge 1 = 0.00779929266 Average electrode charge 2 = -0.00779929266 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.346058 -0.480622 -0.516262 ________________________________________________________________________ Electrode charge exchange: 0.0778833613 Move Jump Cl: 0.93288 0.36923 Na: 0.93312 0.36983 ________________________________________________________________________ Create NaCl : 103994. / 285527. = 0.36422 Destroy NaCl : 103990. / 284812. = 0.36512 ________________________________________________________________________ Potential at left wall /kT = 1.08128453 Potential at right wall /kT = -1.09328831 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9521125 Potential at right wall /mV = -28.2624202 ________________________________________________________________________ Capacitance of left DL = 0.0450683093 Capacitance of right DL = 0.0445734811 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.57754713 Capacitance of right DL [F/m2] = 3.5382674 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.71417186 Adsorption of ion 1 on right wall = -3.64884306 Adsorption of ion 2 on left wall = -4.25489121 Adsorption of ion 2 on right wall = 5.2438623 ------------------------------------------------------------------------ net charge in left DL = -8.96906307 8.01293246 net charge in right DL = 8.89270535 -8.01293246 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.588320428 Relative adsorption of ion 1 on right wall = -0.455369251 Relative adsorption of ion 2 on left wall = -0.531003004 Relative adsorption of ion 2 on right wall = 0.654424872 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00624113938 Right electrode charge = -0.00624113938 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.01824 Bulk concentration of Na = 1.01888 ________________________________________________________________________ Average electrode charge 1 = 0.00783096264 Average electrode charge 2 = -0.00783096264 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.347192 -0.480622 -0.517397 ________________________________________________________________________ Electrode charge exchange: 0.0778712184 Move Jump Cl: 0.93303 0.36900 Na: 0.93290 0.36958 ________________________________________________________________________ Create NaCl : 109425. / 300572. = 0.36406 Destroy NaCl : 109405. / 299725. = 0.36502 ________________________________________________________________________ Potential at left wall /kT = 1.10284749 Potential at right wall /kT = -1.10648994 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5095332 Potential at right wall /mV = -28.6036936 ________________________________________________________________________ Capacitance of left DL = 0.0394038878 Capacitance of right DL = 0.0392741743 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.50759864 Capacitance of right DL [F/m2] = 3.49605199 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.74826984 Adsorption of ion 1 on right wall = -3.65039932 Adsorption of ion 2 on left wall = -4.29068099 Adsorption of ion 2 on right wall = 5.26469151 ------------------------------------------------------------------------ net charge in left DL = -9.03895083 7.14553516 net charge in right DL = 8.91509084 -7.14553516 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.664508638 Relative adsorption of ion 1 on right wall = -0.510864371 Relative adsorption of ion 2 on left wall = -0.600470208 Relative adsorption of ion 2 on right wall = 0.736780576 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00920591687 Right electrode charge = -0.00920591687 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01831 Bulk concentration of Na = 1.01891 ________________________________________________________________________ Average electrode charge 1 = 0.00782782508 Average electrode charge 2 = -0.00782782508 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.347300 -0.480622 -0.517505 ________________________________________________________________________ Electrode charge exchange: 0.077815668 Move Jump Cl: 0.93312 0.36905 Na: 0.93286 0.36946 ________________________________________________________________________ Create NaCl : 114865. / 315632. = 0.36392 Destroy NaCl : 114858. / 314627. = 0.36506 ________________________________________________________________________ Potential at left wall /kT = 1.06078149 Potential at right wall /kT = -1.06215822 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4220917 Potential at right wall /mV = -27.4576814 ________________________________________________________________________ Capacitance of left DL = 0.0604271023 Capacitance of right DL = 0.0603487788 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.64669483 Capacitance of right DL [F/m2] = 3.64196811 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.76766199 Adsorption of ion 1 on right wall = -3.6731896 Adsorption of ion 2 on left wall = -4.23742236 Adsorption of ion 2 on right wall = 5.2143451 ------------------------------------------------------------------------ net charge in left DL = -9.00508435 10.5399349 net charge in right DL = 8.8875347 -10.5399349 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.452342642 Relative adsorption of ion 1 on right wall = -0.348502115 Relative adsorption of ion 2 on left wall = -0.402034966 Relative adsorption of ion 2 on right wall = 0.494722705 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00897527133 Right electrode charge = -0.00897527133 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01804 Bulk concentration of Na = 1.01861 ________________________________________________________________________ Average electrode charge 1 = 0.00780762871 Average electrode charge 2 = -0.00780762871 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.346738 -0.480622 -0.516943 ________________________________________________________________________ Electrode charge exchange: 0.0778313797 Move Jump Cl: 0.93335 0.36906 Na: 0.93299 0.36933 ________________________________________________________________________ Create NaCl : 120404. / 330721. = 0.36407 Destroy NaCl : 120415. / 329631. = 0.36530 ________________________________________________________________________ Potential at left wall /kT = 1.04179276 Potential at right wall /kT = -1.04307553 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9312171 Potential at right wall /mV = -26.9643778 ________________________________________________________________________ Capacitance of left DL = 0.0599869671 Capacitance of right DL = 0.0599131954 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.71316304 Capacitance of right DL [F/m2] = 3.70859661 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.81225687 Adsorption of ion 1 on right wall = -3.65464692 Adsorption of ion 2 on left wall = -4.15598268 Adsorption of ion 2 on right wall = 5.20289384 ------------------------------------------------------------------------ net charge in left DL = -8.96823954 10.2758668 net charge in right DL = 8.85754076 -10.2758668 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.468306661 Relative adsorption of ion 1 on right wall = -0.355653396 Relative adsorption of ion 2 on left wall = -0.404441082 Relative adsorption of ion 2 on right wall = 0.506321651 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00797494211 Right electrode charge = -0.00797494211 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.01688 Bulk concentration of Na = 1.01742 ________________________________________________________________________ Average electrode charge 1 = 0.00781528301 Average electrode charge 2 = -0.00781528301 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.344426 -0.480622 -0.514631 ________________________________________________________________________ Electrode charge exchange: 0.0777769258 Move Jump Cl: 0.93335 0.36908 Na: 0.93316 0.36968 ________________________________________________________________________ Create NaCl : 125870. / 345655. = 0.36415 Destroy NaCl : 125859. / 344551. = 0.36528 ________________________________________________________________________ Potential at left wall /kT = 1.08198281 Potential at right wall /kT = -1.08440329 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9701637 Potential at right wall /mV = -28.0327352 ________________________________________________________________________ Capacitance of left DL = 0.0513213214 Capacitance of right DL = 0.0512067678 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.57523828 Capacitance of right DL [F/m2] = 3.56725804 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.94186662 Adsorption of ion 1 on right wall = -3.67489933 Adsorption of ion 2 on left wall = -4.05691988 Adsorption of ion 2 on right wall = 5.22064461 ------------------------------------------------------------------------ net charge in left DL = -8.9987865 9.1305811 net charge in right DL = 8.89554394 -9.1305811 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.541243385 Relative adsorption of ion 1 on right wall = -0.402482524 Relative adsorption of ion 2 on left wall = -0.4443222 Relative adsorption of ion 2 on right wall = 0.571775723 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00781039287 Right electrode charge = -0.00781039287 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 208 -1.00 3.0000 1.5000 Na ion: 208 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01605 Bulk concentration of Na = 1.01638 ________________________________________________________________________ Average electrode charge 1 = 0.00776794051 Average electrode charge 2 = -0.00776794051 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.342593 -0.480622 -0.512798 ________________________________________________________________________ Electrode charge exchange: 0.0778024952 Move Jump Cl: 0.93344 0.36954 Na: 0.93320 0.36989 ________________________________________________________________________ Create NaCl : 131372. / 360347. = 0.36457 Destroy NaCl : 131364. / 359619. = 0.36529 ________________________________________________________________________ Potential at left wall /kT = 1.08148593 Potential at right wall /kT = -1.08298948 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9573187 Potential at right wall /mV = -27.9961869 ________________________________________________________________________ Capacitance of left DL = 0.050285487 Capacitance of right DL = 0.0502156738 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.57688092 Capacitance of right DL [F/m2] = 3.571915 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.89422871 Adsorption of ion 1 on right wall = -3.66031365 Adsorption of ion 2 on left wall = -4.03357044 Adsorption of ion 2 on right wall = 5.20282192 ------------------------------------------------------------------------ net charge in left DL = -8.92779915 8.94218723 net charge in right DL = 8.86313557 -8.94218723 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.547318971 Relative adsorption of ion 1 on right wall = -0.409330911 Relative adsorption of ion 2 on left wall = -0.451072018 Relative adsorption of ion 2 on right wall = 0.581828784 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00868596086 Right electrode charge = -0.00868596086 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01595 Bulk concentration of Na = 1.01671 ________________________________________________________________________ Average electrode charge 1 = 0.00775554894 Average electrode charge 2 = -0.00775554894 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.342815 -0.480622 -0.513020 ________________________________________________________________________ Electrode charge exchange: 0.0778734499 Move Jump Cl: 0.93334 0.36955 Na: 0.93328 0.36979 ________________________________________________________________________ Create NaCl : 136893. / 375365. = 0.36469 Destroy NaCl : 136902. / 374610. = 0.36545 ________________________________________________________________________ Potential at left wall /kT = 1.09341265 Potential at right wall /kT = -1.0960052 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2656345 Potential at right wall /mV = -28.3326543 ________________________________________________________________________ Capacitance of left DL = 0.0553126453 Capacitance of right DL = 0.0551818054 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.53786504 Capacitance of right DL [F/m2] = 3.52949636 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.87820732 Adsorption of ion 1 on right wall = -3.68577201 Adsorption of ion 2 on left wall = -4.08592662 Adsorption of ion 2 on right wall = 5.12937005 ------------------------------------------------------------------------ net charge in left DL = -8.96413395 9.9446327 net charge in right DL = 8.81514205 -9.9446327 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490536702 Relative adsorption of ion 1 on right wall = -0.370629275 Relative adsorption of ion 2 on left wall = -0.410867525 Relative adsorption of ion 2 on right wall = 0.51579281 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0130172265 Right electrode charge = -0.0130172265 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01632 Bulk concentration of Na = 1.01686 ________________________________________________________________________ Average electrode charge 1 = 0.00777352744 Average electrode charge 2 = -0.00777352744 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.343326 -0.480622 -0.513530 ________________________________________________________________________ Electrode charge exchange: 0.0778774181 Move Jump Cl: 0.93338 0.36951 Na: 0.93332 0.36954 ________________________________________________________________________ Create NaCl : 142401. / 390461. = 0.36470 Destroy NaCl : 142412. / 389512. = 0.36562 ________________________________________________________________________ Potential at left wall /kT = 1.10854924 Potential at right wall /kT = -1.10971795 ------------------------------------------------------------------------ Potential at left wall /mV = 28.6569283 Potential at right wall /mV = -28.6871402 ________________________________________________________________________ Capacitance of left DL = 0.0817624927 Capacitance of right DL = 0.0816763843 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.48955754 Capacitance of right DL [F/m2] = 3.4858825 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.90410914 Adsorption of ion 1 on right wall = -3.6897774 Adsorption of ion 2 on left wall = -4.06560662 Adsorption of ion 2 on right wall = 5.17532094 ------------------------------------------------------------------------ net charge in left DL = -8.96971576 14.9035366 net charge in right DL = 8.86509834 -14.9035366 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.329056737 Relative adsorption of ion 1 on right wall = -0.247577302 Relative adsorption of ion 2 on left wall = -0.272794755 Relative adsorption of ion 2 on right wall = 0.347254552 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00785642395 Right electrode charge = -0.00785642395 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01671 Bulk concentration of Na = 1.01726 ________________________________________________________________________ Average electrode charge 1 = 0.00779016587 Average electrode charge 2 = -0.00779016587 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.344105 -0.480622 -0.514310 ________________________________________________________________________ Electrode charge exchange: 0.0779706812 Move Jump Cl: 0.93348 0.36937 Na: 0.93334 0.36978 ________________________________________________________________________ Create NaCl : 147824. / 405294. = 0.36473 Destroy NaCl : 147822. / 404538. = 0.36541 ________________________________________________________________________ Potential at left wall /kT = 1.11519471 Potential at right wall /kT = -1.12076388 ------------------------------------------------------------------------ Potential at left wall /mV = 28.8287191 Potential at right wall /mV = -28.9726867 ________________________________________________________________________ Capacitance of left DL = 0.0490529198 Capacitance of right DL = 0.0488091719 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.4687632 Capacitance of right DL [F/m2] = 3.45152664 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.78597895 Adsorption of ion 1 on right wall = -3.73958154 Adsorption of ion 2 on left wall = -4.20949167 Adsorption of ion 2 on right wall = 5.14800956 ------------------------------------------------------------------------ net charge in left DL = -8.99547062 8.99488862 net charge in right DL = 8.88759111 -8.99488862 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.532077622 Relative adsorption of ion 1 on right wall = -0.415745175 Relative adsorption of ion 2 on left wall = -0.467987081 Relative adsorption of ion 2 on right wall = 0.572326104 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00846606575 Right electrode charge = -0.00846606575 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01786 Bulk concentration of Na = 1.01817 ________________________________________________________________________ Average electrode charge 1 = 0.00780259562 Average electrode charge 2 = -0.00780259562 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.346123 -0.480622 -0.516327 ________________________________________________________________________ Electrode charge exchange: 0.0778920535 Move Jump Cl: 0.93344 0.36897 Na: 0.93316 0.36953 ________________________________________________________________________ Create NaCl : 153219. / 420358. = 0.36450 Destroy NaCl : 153222. / 419346. = 0.36538 ________________________________________________________________________ Potential at left wall /kT = 1.13469102 Potential at right wall /kT = -1.14539819 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3327151 Potential at right wall /mV = -29.6095043 ________________________________________________________________________ Capacitance of left DL = 0.0519510909 Capacitance of right DL = 0.0514654529 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40916276 Capacitance of right DL [F/m2] = 3.37729396 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.77614946 Adsorption of ion 1 on right wall = -3.74318507 Adsorption of ion 2 on left wall = -4.22158711 Adsorption of ion 2 on right wall = 5.19524979 ------------------------------------------------------------------------ net charge in left DL = -8.99773657 9.69287285 net charge in right DL = 8.93843486 -9.69287285 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.492748593 Relative adsorption of ion 1 on right wall = -0.386179116 Relative adsorption of ion 2 on left wall = -0.435535179 Relative adsorption of ion 2 on right wall = 0.535986582 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00923945367 Right electrode charge = -0.00923945367 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 177 -1.00 3.0000 1.5000 Na ion: 177 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01802 Bulk concentration of Na = 1.01849 ________________________________________________________________________ Average electrode charge 1 = 0.00781965395 Average electrode charge 2 = -0.00781965395 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.346596 -0.480622 -0.516800 ________________________________________________________________________ Electrode charge exchange: 0.0778626764 Move Jump Cl: 0.93357 0.36911 Na: 0.93327 0.36959 ________________________________________________________________________ Create NaCl : 158635. / 435414. = 0.36433 Destroy NaCl : 158658. / 434293. = 0.36532 ________________________________________________________________________ Potential at left wall /kT = 1.13498456 Potential at right wall /kT = -1.14657645 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3403034 Potential at right wall /mV = -29.6399635 ________________________________________________________________________ Capacitance of left DL = 0.0566822382 Capacitance of right DL = 0.0561091806 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40828105 Capacitance of right DL [F/m2] = 3.37382332 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.79989544 Adsorption of ion 1 on right wall = -3.80936778 Adsorption of ion 2 on left wall = -4.23299914 Adsorption of ion 2 on right wall = 5.13071465 ------------------------------------------------------------------------ net charge in left DL = -9.03289459 10.5783315 net charge in right DL = 8.94008243 -10.5783315 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.453747877 Relative adsorption of ion 1 on right wall = -0.360110457 Relative adsorption of ion 2 on left wall = -0.400157545 Relative adsorption of ion 2 on right wall = 0.485021165 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00869491265 Right electrode charge = -0.00869491265 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01825 Bulk concentration of Na = 1.01851 ________________________________________________________________________ Average electrode charge 1 = 0.00781024162 Average electrode charge 2 = -0.00781024162 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.346848 -0.480622 -0.517052 ________________________________________________________________________ Electrode charge exchange: 0.0778762955 Move Jump Cl: 0.93364 0.36908 Na: 0.93341 0.36965 ________________________________________________________________________ Create NaCl : 164138. / 450453. = 0.36438 Destroy NaCl : 164158. / 449315. = 0.36535 ________________________________________________________________________ Potential at left wall /kT = 1.14519086 Potential at right wall /kT = -1.15553948 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6041447 Potential at right wall /mV = -29.8716652 ________________________________________________________________________ Capacitance of left DL = 0.0528661891 Capacitance of right DL = 0.0523927373 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3779054 Capacitance of right DL [F/m2] = 3.34765402 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.81255523 Adsorption of ion 1 on right wall = -3.91546255 Adsorption of ion 2 on left wall = -4.19424318 Adsorption of ion 2 on right wall = 5.04033237 ------------------------------------------------------------------------ net charge in left DL = -9.00679841 9.95488168 net charge in right DL = 8.95579492 -9.95488168 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.483436709 Relative adsorption of ion 1 on right wall = -0.393320852 Relative adsorption of ion 2 on left wall = -0.421325267 Relative adsorption of ion 2 on right wall = 0.506317658 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00755958344 Right electrode charge = -0.00755958344 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01832 Bulk concentration of Na = 1.01852 ________________________________________________________________________ Average electrode charge 1 = 0.00780325957 Average electrode charge 2 = -0.00780325957 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.346925 -0.480622 -0.517130 ________________________________________________________________________ Electrode charge exchange: 0.0779093812 Move Jump Cl: 0.93358 0.36931 Na: 0.93360 0.36963 ________________________________________________________________________ Create NaCl : 169655. / 465331. = 0.36459 Destroy NaCl : 169673. / 464389. = 0.36537 ________________________________________________________________________ Potential at left wall /kT = 1.11903054 Potential at right wall /kT = -1.12711593 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9278785 Potential at right wall /mV = -29.1368927 ________________________________________________________________________ Capacitance of left DL = 0.0470377542 Capacitance of right DL = 0.0467003279 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.45687293 Capacitance of right DL [F/m2] = 3.43207497 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.7190252 Adsorption of ion 1 on right wall = -3.96453931 Adsorption of ion 2 on left wall = -4.25629089 Adsorption of ion 2 on right wall = 4.97133707 ------------------------------------------------------------------------ net charge in left DL = -8.9753161 8.65503331 net charge in right DL = 8.93587638 -8.65503331 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.545234783 Relative adsorption of ion 1 on right wall = -0.458061705 Relative adsorption of ion 2 on left wall = -0.491770596 Relative adsorption of ion 2 on right wall = 0.574386821 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00856380177 Right electrode charge = -0.00856380177 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01828 Bulk concentration of Na = 1.01847 ________________________________________________________________________ Average electrode charge 1 = 0.00784146178 Average electrode charge 2 = -0.00784146178 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.346834 -0.480622 -0.517039 ________________________________________________________________________ Electrode charge exchange: 0.0778771125 Move Jump Cl: 0.93356 0.36918 Na: 0.93359 0.36975 ________________________________________________________________________ Create NaCl : 175120. / 480346. = 0.36457 Destroy NaCl : 175129. / 479192. = 0.36547 ________________________________________________________________________ Potential at left wall /kT = 1.11151776 Potential at right wall /kT = -1.11649044 ------------------------------------------------------------------------ Potential at left wall /mV = 28.7336669 Potential at right wall /mV = -28.8622149 ________________________________________________________________________ Capacitance of left DL = 0.0536464332 Capacitance of right DL = 0.0534074999 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.48023802 Capacitance of right DL [F/m2] = 3.46473755 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.72038406 Adsorption of ion 1 on right wall = -3.93786802 Adsorption of ion 2 on left wall = -4.2905202 Adsorption of ion 2 on right wall = 5.03509751 ------------------------------------------------------------------------ net charge in left DL = -9.01090426 9.80477168 net charge in right DL = 8.97296554 -9.80477168 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.481437428 Relative adsorption of ion 1 on right wall = -0.401627713 Relative adsorption of ion 2 on left wall = -0.437595116 Relative adsorption of ion 2 on right wall = 0.513535417 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00596046227 Right electrode charge = -0.00596046227 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.01757 Bulk concentration of Na = 1.01794 ________________________________________________________________________ Average electrode charge 1 = 0.00783667634 Average electrode charge 2 = -0.00783667634 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.345615 -0.480622 -0.515819 ________________________________________________________________________ Electrode charge exchange: 0.0779324998 Move Jump Cl: 0.93358 0.36904 Na: 0.93350 0.36963 ________________________________________________________________________ Create NaCl : 180610. / 495308. = 0.36464 Destroy NaCl : 180592. / 494167. = 0.36545 ________________________________________________________________________ Potential at left wall /kT = 1.10526839 Potential at right wall /kT = -1.10760481 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5721154 Potential at right wall /mV = -28.6325138 ________________________________________________________________________ Capacitance of left DL = 0.0375493866 Capacitance of right DL = 0.0374701786 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.49991587 Capacitance of right DL [F/m2] = 3.49253302 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.75344738 Adsorption of ion 1 on right wall = -3.87506474 Adsorption of ion 2 on left wall = -4.26572242 Adsorption of ion 2 on right wall = 5.0704503 ------------------------------------------------------------------------ net charge in left DL = -9.0191698 6.82418548 net charge in right DL = 8.94551505 -6.82418548 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.696558936 Relative adsorption of ion 1 on right wall = -0.567842822 Relative adsorption of ion 2 on left wall = -0.625088875 Relative adsorption of ion 2 on right wall = 0.743011795 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00871492044 Right electrode charge = -0.00871492044 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01657 Bulk concentration of Na = 1.01690 ________________________________________________________________________ Average electrode charge 1 = 0.00782308765 Average electrode charge 2 = -0.00782308765 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.343617 -0.480622 -0.513821 ________________________________________________________________________ Electrode charge exchange: 0.0779695482 Move Jump Cl: 0.93359 0.36895 Na: 0.93363 0.36984 ________________________________________________________________________ Create NaCl : 186031. / 510042. = 0.36474 Destroy NaCl : 186044. / 509385. = 0.36523 ________________________________________________________________________ Potential at left wall /kT = 1.10090331 Potential at right wall /kT = -1.10307749 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4592746 Potential at right wall /mV = -28.5154788 ________________________________________________________________________ Capacitance of left DL = 0.0551194531 Capacitance of right DL = 0.0550108122 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.51379301 Capacitance of right DL [F/m2] = 3.5068673 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.77755622 Adsorption of ion 1 on right wall = -3.85716486 Adsorption of ion 2 on left wall = -4.22069995 Adsorption of ion 2 on right wall = 5.07653485 ------------------------------------------------------------------------ net charge in left DL = -8.99825617 9.97778877 net charge in right DL = 8.93369971 -9.97778877 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478819138 Relative adsorption of ion 1 on right wall = -0.386575117 Relative adsorption of ion 2 on left wall = -0.423009551 Relative adsorption of ion 2 on right wall = 0.508783556 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00735950296 Right electrode charge = -0.00735950296 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01660 Bulk concentration of Na = 1.01676 ________________________________________________________________________ Average electrode charge 1 = 0.00783536474 Average electrode charge 2 = -0.00783536474 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.343502 -0.480622 -0.513706 ________________________________________________________________________ Electrode charge exchange: 0.0780310126 Move Jump Cl: 0.93365 0.36918 Na: 0.93367 0.36985 ________________________________________________________________________ Create NaCl : 191529. / 525151. = 0.36471 Destroy NaCl : 191549. / 524318. = 0.36533 ________________________________________________________________________ Potential at left wall /kT = 1.10900071 Potential at right wall /kT = -1.11027913 ------------------------------------------------------------------------ Potential at left wall /mV = 28.6685989 Potential at right wall /mV = -28.7016474 ________________________________________________________________________ Capacitance of left DL = 0.0462069512 Capacitance of right DL = 0.0461537463 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.48813698 Capacitance of right DL [F/m2] = 3.48412057 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.74939179 Adsorption of ion 1 on right wall = -3.8523306 Adsorption of ion 2 on left wall = -4.24930624 Adsorption of ion 2 on right wall = 5.11665995 ------------------------------------------------------------------------ net charge in left DL = -8.99869803 8.42595942 net charge in right DL = 8.96899055 -8.42595942 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.56366184 Relative adsorption of ion 1 on right wall = -0.457197858 Relative adsorption of ion 2 on left wall = -0.504311264 Relative adsorption of ion 2 on right wall = 0.607249536 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00909714214 Right electrode charge = -0.00909714214 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 210 -1.00 3.0000 1.5000 Na ion: 210 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01664 Bulk concentration of Na = 1.01681 ________________________________________________________________________ Average electrode charge 1 = 0.00784437963 Average electrode charge 2 = -0.00784437963 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.343586 -0.480622 -0.513790 ________________________________________________________________________ Electrode charge exchange: 0.0780614691 Move Jump Cl: 0.93379 0.36898 Na: 0.93372 0.36963 ________________________________________________________________________ Create NaCl : 196977. / 540104. = 0.36470 Destroy NaCl : 196967. / 539205. = 0.36529 ________________________________________________________________________ Potential at left wall /kT = 1.0980956 Potential at right wall /kT = -1.09843035 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3866929 Potential at right wall /mV = -28.3953463 ________________________________________________________________________ Capacitance of left DL = 0.0576840149 Capacitance of right DL = 0.0576664357 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.5227774 Capacitance of right DL [F/m2] = 3.52170383 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.76469547 Adsorption of ion 1 on right wall = -3.83723601 Adsorption of ion 2 on left wall = -4.23813223 Adsorption of ion 2 on right wall = 5.13169185 ------------------------------------------------------------------------ net charge in left DL = -9.00282769 10.4153977 net charge in right DL = 8.96892786 -10.4153977 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.457466492 Relative adsorption of ion 1 on right wall = -0.368419537 Relative adsorption of ion 2 on left wall = -0.406910262 Relative adsorption of ion 2 on right wall = 0.492702437 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00809692009 Right electrode charge = -0.00809692009 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01681 Bulk concentration of Na = 1.01704 ________________________________________________________________________ Average electrode charge 1 = 0.00784139367 Average electrode charge 2 = -0.00784139367 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.343980 -0.480622 -0.514185 ________________________________________________________________________ Electrode charge exchange: 0.0781924478 Move Jump Cl: 0.93372 0.36894 Na: 0.93357 0.36961 ________________________________________________________________________ Create NaCl : 202399. / 554906. = 0.36474 Destroy NaCl : 202398. / 554130. = 0.36525 ________________________________________________________________________ Potential at left wall /kT = 1.09211388 Potential at right wall /kT = -1.08923358 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2320603 Potential at right wall /mV = -28.1576021 ________________________________________________________________________ Capacitance of left DL = 0.0516229214 Capacitance of right DL = 0.0517594299 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.54207234 Capacitance of right DL [F/m2] = 3.55143878 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.75390412 Adsorption of ion 1 on right wall = -3.84174273 Adsorption of ion 2 on left wall = -4.24555226 Adsorption of ion 2 on right wall = 5.11382342 ------------------------------------------------------------------------ net charge in left DL = -8.99945638 9.27023475 net charge in right DL = 8.95556614 -9.27023475 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.51281378 Relative adsorption of ion 1 on right wall = -0.414416984 Relative adsorption of ion 2 on left wall = -0.45797678 Relative adsorption of ion 2 on right wall = 0.551639042 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00764095054 Right electrode charge = -0.00764095054 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01721 Bulk concentration of Na = 1.01752 ________________________________________________________________________ Average electrode charge 1 = 0.0078381594 Average electrode charge 2 = -0.0078381594 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.344852 -0.480622 -0.515057 ________________________________________________________________________ Electrode charge exchange: 0.0782426591 Move Jump Cl: 0.93382 0.36890 Na: 0.93350 0.36958 ________________________________________________________________________ Create NaCl : 207828. / 569870. = 0.36469 Destroy NaCl : 207842. / 569050. = 0.36524 ________________________________________________________________________ Potential at left wall /kT = 1.09906584 Potential at right wall /kT = -1.09602765 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4117742 Potential at right wall /mV = -28.3332346 ________________________________________________________________________ Capacitance of left DL = 0.0484076871 Capacitance of right DL = 0.048541873 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.51966756 Capacitance of right DL [F/m2] = 3.52942406 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.73906618 Adsorption of ion 1 on right wall = -3.87765093 Adsorption of ion 2 on left wall = -4.26974482 Adsorption of ion 2 on right wall = 5.0705065 ------------------------------------------------------------------------ net charge in left DL = -9.008811 8.74819122 net charge in right DL = 8.94815743 -8.74819122 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.541719546 Relative adsorption of ion 1 on right wall = -0.443251734 Relative adsorption of ion 2 on left wall = -0.48807173 Relative adsorption of ion 2 on right wall = 0.579606272 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0060013161 Right electrode charge = -0.0060013161 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01708 Bulk concentration of Na = 1.01746 ________________________________________________________________________ Average electrode charge 1 = 0.0078327985 Average electrode charge 2 = -0.0078327985 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.344661 -0.480622 -0.514866 ________________________________________________________________________ Electrode charge exchange: 0.0782075257 Move Jump Cl: 0.93384 0.36871 Na: 0.93335 0.36948 ________________________________________________________________________ Create NaCl : 213294. / 584951. = 0.36464 Destroy NaCl : 213289. / 583941. = 0.36526 ________________________________________________________________________ Potential at left wall /kT = 1.10353489 Potential at right wall /kT = -1.09790098 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5273031 Potential at right wall /mV = -28.3816616 ________________________________________________________________________ Capacitance of left DL = 0.0378661442 Capacitance of right DL = 0.0380604557 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.50541373 Capacitance of right DL [F/m2] = 3.52340188 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.82468826 Adsorption of ion 1 on right wall = -3.84641773 Adsorption of ion 2 on left wall = -4.18636088 Adsorption of ion 2 on right wall = 5.09160835 ------------------------------------------------------------------------ net charge in left DL = -9.01104914 6.87095939 net charge in right DL = 8.93802607 -6.87095939 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.70218553 Relative adsorption of ion 1 on right wall = -0.559807956 Relative adsorption of ion 2 on left wall = -0.609283311 Relative adsorption of ion 2 on right wall = 0.741033102 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00763154928 Right electrode charge = -0.00763154928 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.01804 Bulk concentration of Na = 1.01813 ________________________________________________________________________ Average electrode charge 1 = 0.00782539636 Average electrode charge 2 = -0.00782539636 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.310418 -15.346266 -0.480622 -0.516471 ________________________________________________________________________ Electrode charge exchange: 0.0781923718 Move Jump Cl: 0.93376 0.36864 Na: 0.93343 0.36934 ________________________________________________________________________ Create NaCl : 218678. / 600121. = 0.36439 Destroy NaCl : 218666. / 598710. = 0.36523 ________________________________________________________________________ Potential at left wall /kT = 1.10044432 Potential at right wall /kT = -1.09508399 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4474092 Potential at right wall /mV = -28.3088402 ________________________________________________________________________ Capacitance of left DL = 0.0482875635 Capacitance of right DL = 0.0485239264 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.51525861 Capacitance of right DL [F/m2] = 3.53246545 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.78080479 Adsorption of ion 1 on right wall = -3.84115479 Adsorption of ion 2 on left wall = -4.19302399 Adsorption of ion 2 on right wall = 5.11506309 ------------------------------------------------------------------------ net charge in left DL = -8.97382879 8.73742764 net charge in right DL = 8.95621788 -8.73742764 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.547163878 Relative adsorption of ion 1 on right wall = -0.439620784 Relative adsorption of ion 2 on left wall = -0.479892271 Relative adsorption of ion 2 on right wall = 0.585419794 ________________________________________________________________________ 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 = 54.9646039 starting xl = 54.9646039 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 200 net charge on left wall /e = 18.8560937 net charge on right wall /e = -18.8560937 net charge on walls /e (starting) = 0. Initial sigma = 0.0164695165 net charge on walls = 0. N( 1) = 200 ----------------------------------------- nimax = 200 max = 2000 ntot = 400 max = 12000 ntry = 400 max = 12000 ----------------------------------------- vgc = 1 1.04357847E+11 Cl conc = 1. ----------------------------------------- iter = 3 1 1. 1.01813135 1 -15.3104175 -15.3462665 1 -1.06 -0.516471086 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 3 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00788008349 Right electrode charge = -0.00788008349 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.97679 Bulk concentration of Na = 0.97593 ________________________________________________________________________ Average electrode charge 1 = 0.00734974652 Average electrode charge 2 = -0.00734974652 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.298423 -0.516471 -0.468628 ________________________________________________________________________ Electrode charge exchange: 0.0781661362 Move Jump Cl: 0.93888 0.37081 Na: 0.93851 0.37102 ________________________________________________________________________ Create NaCl : 5471. / 14895. = 0.36730 Destroy NaCl : 5473. / 14967. = 0.36567 ________________________________________________________________________ Potential at left wall /kT = 0.733522748 Potential at right wall /kT = -0.83769883 ------------------------------------------------------------------------ Potential at left wall /mV = 18.9621786 Potential at right wall /mV = -21.6552178 ________________________________________________________________________ Capacitance of left DL = 0.0748010828 Capacitance of right DL = 0.065498833 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 5.27365563 Capacitance of right DL [F/m2] = 4.61782472 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.62506494 Adsorption of ion 1 on right wall = -2.64596839 Adsorption of ion 2 on left wall = -3.55473793 Adsorption of ion 2 on right wall = 5.70156207 ------------------------------------------------------------------------ net charge in left DL = -8.17980288 9.02197663 net charge in right DL = 8.34753046 -9.02197663 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.512644306 Relative adsorption of ion 1 on right wall = -0.293280342 Relative adsorption of ion 2 on left wall = -0.394008772 Relative adsorption of ion 2 on right wall = 0.631963737 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00773026828 Right electrode charge = -0.00773026828 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99074 Bulk concentration of Na = 0.99043 ________________________________________________________________________ Average electrode charge 1 = 0.00730738268 Average electrode charge 2 = -0.00730738268 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.327347 -0.516471 -0.497551 ________________________________________________________________________ Electrode charge exchange: 0.0781353326 Move Jump Cl: 0.93490 0.36683 Na: 0.93576 0.36777 ________________________________________________________________________ Create NaCl : 10944. / 29962. = 0.36526 Destroy NaCl : 10954. / 30021. = 0.36488 ________________________________________________________________________ Potential at left wall /kT = 1.09309188 Potential at right wall /kT = -1.17559979 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2573424 Potential at right wall /mV = -30.3902412 ________________________________________________________________________ Capacitance of left DL = 0.0492411913 Capacitance of right DL = 0.0457852636 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.53890322 Capacitance of right DL [F/m2] = 3.29052999 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.03195914 Adsorption of ion 1 on right wall = -2.9580492 Adsorption of ion 2 on left wall = -3.36985444 Adsorption of ion 2 on right wall = 5.50413723 ------------------------------------------------------------------------ net charge in left DL = -8.40181358 8.85045189 net charge in right DL = 8.46218642 -8.85045189 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.568553922 Relative adsorption of ion 1 on right wall = -0.334225781 Relative adsorption of ion 2 on left wall = -0.380755071 Relative adsorption of ion 2 on right wall = 0.621904655 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00668693361 Right electrode charge = -0.00668693361 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99030 Bulk concentration of Na = 0.99316 ________________________________________________________________________ Average electrode charge 1 = 0.00751744173 Average electrode charge 2 = -0.00751744173 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.329655 -0.516471 -0.499860 ________________________________________________________________________ Electrode charge exchange: 0.0781334856 Move Jump Cl: 0.93542 0.36926 Na: 0.93639 0.36900 ________________________________________________________________________ Create NaCl : 16329. / 44959. = 0.36320 Destroy NaCl : 16343. / 44730. = 0.36537 ________________________________________________________________________ Potential at left wall /kT = 1.13620679 Potential at right wall /kT = -1.20167343 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3718989 Potential at right wall /mV = -31.0642665 ________________________________________________________________________ Capacitance of left DL = 0.040978899 Capacitance of right DL = 0.0387463866 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40461474 Capacitance of right DL [F/m2] = 3.21913283 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.47212371 Adsorption of ion 1 on right wall = -3.58523185 Adsorption of ion 2 on left wall = -3.49093049 Adsorption of ion 2 on right wall = 4.81971395 ------------------------------------------------------------------------ net charge in left DL = -8.9630542 7.65592888 net charge in right DL = 8.4049458 -7.65592888 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.71475634 Relative adsorption of ion 1 on right wall = -0.468294821 Relative adsorption of ion 2 on left wall = -0.455977393 Relative adsorption of ion 2 on right wall = 0.629540063 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00852645538 Right electrode charge = -0.00852645538 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99395 Bulk concentration of Na = 0.99792 ________________________________________________________________________ Average electrode charge 1 = 0.00766184255 Average electrode charge 2 = -0.00766184255 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.338114 -0.516471 -0.508319 ________________________________________________________________________ Electrode charge exchange: 0.0781934968 Move Jump Cl: 0.93523 0.37024 Na: 0.93567 0.36862 ________________________________________________________________________ Create NaCl : 21856. / 60058. = 0.36391 Destroy NaCl : 21856. / 59739. = 0.36586 ________________________________________________________________________ Potential at left wall /kT = 1.18632628 Potential at right wall /kT = -1.24268145 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6675299 Potential at right wall /mV = -32.1243584 ________________________________________________________________________ Capacitance of left DL = 0.0500443468 Capacitance of right DL = 0.0477748531 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.26077778 Capacitance of right DL [F/m2] = 3.11290264 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.53435314 Adsorption of ion 1 on right wall = -4.10112186 Adsorption of ion 2 on left wall = -3.7251928 Adsorption of ion 2 on right wall = 4.38527387 ------------------------------------------------------------------------ net charge in left DL = -9.25954594 9.76201347 net charge in right DL = 8.48639573 -9.76201347 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566927423 Relative adsorption of ion 1 on right wall = -0.420110244 Relative adsorption of ion 2 on left wall = -0.381600866 Relative adsorption of ion 2 on right wall = 0.449218175 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00804658997 Right electrode charge = -0.00804658997 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99660 Bulk concentration of Na = 0.99986 ________________________________________________________________________ Average electrode charge 1 = 0.00765894338 Average electrode charge 2 = -0.00765894338 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.342718 -0.516471 -0.512922 ________________________________________________________________________ Electrode charge exchange: 0.0782557311 Move Jump Cl: 0.93440 0.37063 Na: 0.93525 0.36966 ________________________________________________________________________ Create NaCl : 27340. / 75108. = 0.36401 Destroy NaCl : 27355. / 74806. = 0.36568 ________________________________________________________________________ Potential at left wall /kT = 1.05638576 Potential at right wall /kT = -1.11589401 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3084583 Potential at right wall /mV = -28.8467967 ________________________________________________________________________ Capacitance of left DL = 0.0530371266 Capacitance of right DL = 0.0502087693 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.66186911 Capacitance of right DL [F/m2] = 3.46658941 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.8821901 Adsorption of ion 1 on right wall = -3.95557324 Adsorption of ion 2 on left wall = -4.22244185 Adsorption of ion 2 on right wall = 4.51570148 ------------------------------------------------------------------------ net charge in left DL = -9.10463195 9.21261136 net charge in right DL = 8.47127472 -9.21261136 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.529946386 Relative adsorption of ion 1 on right wall = -0.429365039 Relative adsorption of ion 2 on left wall = -0.458332788 Relative adsorption of ion 2 on right wall = 0.490165199 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00954271177 Right electrode charge = -0.00954271177 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99733 Bulk concentration of Na = 1.00066 ________________________________________________________________________ Average electrode charge 1 = 0.00778527864 Average electrode charge 2 = -0.00778527864 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.344254 -0.516471 -0.514459 ________________________________________________________________________ Electrode charge exchange: 0.0782097842 Move Jump Cl: 0.93391 0.36996 Na: 0.93479 0.36867 ________________________________________________________________________ Create NaCl : 32788. / 90222. = 0.36341 Destroy NaCl : 32799. / 89685. = 0.36571 ________________________________________________________________________ Potential at left wall /kT = 1.04794838 Potential at right wall /kT = -1.08658127 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0903452 Potential at right wall /mV = -28.0890377 ________________________________________________________________________ Capacitance of left DL = 0.0634048628 Capacitance of right DL = 0.0611505327 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.69135201 Capacitance of right DL [F/m2] = 3.56010773 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08021088 Adsorption of ion 1 on right wall = -3.99548078 Adsorption of ion 2 on left wall = -4.15519268 Adsorption of ion 2 on right wall = 4.59107677 ------------------------------------------------------------------------ net charge in left DL = -9.23540356 10.9255343 net charge in right DL = 8.58655755 -10.9255343 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.46498512 Relative adsorption of ion 1 on right wall = -0.365701179 Relative adsorption of ion 2 on left wall = -0.380319402 Relative adsorption of ion 2 on right wall = 0.420215308 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0069762604 Right electrode charge = -0.0069762604 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99663 Bulk concentration of Na = 0.99877 ________________________________________________________________________ Average electrode charge 1 = 0.0078359572 Average electrode charge 2 = -0.0078359572 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.341657 -0.516471 -0.511861 ________________________________________________________________________ Electrode charge exchange: 0.0782064172 Move Jump Cl: 0.93431 0.36922 Na: 0.93442 0.36918 ________________________________________________________________________ Create NaCl : 38315. / 105160. = 0.36435 Destroy NaCl : 38313. / 104779. = 0.36566 ________________________________________________________________________ Potential at left wall /kT = 1.0478699 Potential at right wall /kT = -1.07041978 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0883162 Potential at right wall /mV = -27.6712496 ________________________________________________________________________ Capacitance of left DL = 0.0463560018 Capacitance of right DL = 0.0453794481 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.69162849 Capacitance of right DL [F/m2] = 3.6138592 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.23689892 Adsorption of ion 1 on right wall = -4.09474632 Adsorption of ion 2 on left wall = -3.93196389 Adsorption of ion 2 on right wall = 4.65800516 ------------------------------------------------------------------------ net charge in left DL = -9.1688628 7.98718165 net charge in right DL = 8.75275148 -7.98718165 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.655662929 Relative adsorption of ion 1 on right wall = -0.51266473 Relative adsorption of ion 2 on left wall = -0.49228427 Relative adsorption of ion 2 on right wall = 0.583185079 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00981447024 Right electrode charge = -0.00981447024 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 183 -1.00 3.0000 1.5000 Na ion: 183 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99530 Bulk concentration of Na = 0.99650 ________________________________________________________________________ Average electrode charge 1 = 0.00793545392 Average electrode charge 2 = -0.00793545392 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.338050 -0.516471 -0.508255 ________________________________________________________________________ Electrode charge exchange: 0.0782059665 Move Jump Cl: 0.93419 0.36949 Na: 0.93536 0.36978 ________________________________________________________________________ Create NaCl : 43801. / 120225. = 0.36433 Destroy NaCl : 43818. / 119650. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.00229567 Potential at right wall /kT = -1.02784542 ------------------------------------------------------------------------ Potential at left wall /mV = 25.9101843 Potential at right wall /mV = -26.5706668 ________________________________________________________________________ Capacitance of left DL = 0.0681807319 Capacitance of right DL = 0.0664859239 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.85948625 Capacitance of right DL [F/m2] = 3.76354876 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.53286624 Adsorption of ion 1 on right wall = -4.03039001 Adsorption of ion 2 on left wall = -3.62448008 Adsorption of ion 2 on right wall = 4.89338033 ------------------------------------------------------------------------ net charge in left DL = -9.15734632 11.236673 net charge in right DL = 8.92377035 -11.236673 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.492393634 Relative adsorption of ion 1 on right wall = -0.358681793 Relative adsorption of ion 2 on left wall = -0.322558118 Relative adsorption of ion 2 on right wall = 0.435483025 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00702230235 Right electrode charge = -0.00702230235 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99237 Bulk concentration of Na = 0.99347 ________________________________________________________________________ Average electrode charge 1 = 0.00796557425 Average electrode charge 2 = -0.00796557425 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.332051 -0.516471 -0.502256 ________________________________________________________________________ Electrode charge exchange: 0.078217844 Move Jump Cl: 0.93415 0.37002 Na: 0.93520 0.37010 ________________________________________________________________________ Create NaCl : 49362. / 135295. = 0.36485 Destroy NaCl : 49359. / 134657. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 0.977775098 Potential at right wall /kT = -1.0088012 ------------------------------------------------------------------------ Potential at left wall /mV = 25.2763068 Potential at right wall /mV = -26.0783577 ________________________________________________________________________ Capacitance of left DL = 0.0500070464 Capacitance of right DL = 0.0484690587 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.95627418 Capacitance of right DL [F/m2] = 3.8345973 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.71803031 Adsorption of ion 1 on right wall = -3.79341228 Adsorption of ion 2 on left wall = -3.4445722 Adsorption of ion 2 on right wall = 5.15590743 ------------------------------------------------------------------------ net charge in left DL = -9.16260252 8.03989549 net charge in right DL = 8.9493197 -8.03989549 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.711207046 Relative adsorption of ion 1 on right wall = -0.471823581 Relative adsorption of ion 2 on left wall = -0.428434948 Relative adsorption of ion 2 on right wall = 0.641290354 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00968992423 Right electrode charge = -0.00968992423 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99167 Bulk concentration of Na = 0.99332 ________________________________________________________________________ Average electrode charge 1 = 0.00792764498 Average electrode charge 2 = -0.00792764498 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.331200 -0.516471 -0.501404 ________________________________________________________________________ Electrode charge exchange: 0.0781350191 Move Jump Cl: 0.93415 0.37040 Na: 0.93585 0.36979 ________________________________________________________________________ Create NaCl : 54965. / 150343. = 0.36560 Destroy NaCl : 54972. / 149680. = 0.36726 ________________________________________________________________________ Potential at left wall /kT = 0.961603428 Potential at right wall /kT = -0.996481889 ------------------------------------------------------------------------ Potential at left wall /mV = 24.8582556 Potential at right wall /mV = -25.7598931 ________________________________________________________________________ Capacitance of left DL = 0.0701641117 Capacitance of right DL = 0.0677082555 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.02280842 Capacitance of right DL [F/m2] = 3.88200369 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.68753269 Adsorption of ion 1 on right wall = -3.84422731 Adsorption of ion 2 on left wall = -3.47616722 Adsorption of ion 2 on right wall = 4.99986612 ------------------------------------------------------------------------ net charge in left DL = -9.1636999 11.0940792 net charge in right DL = 8.84409343 -11.0940792 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.512663792 Relative adsorption of ion 1 on right wall = -0.346511618 Relative adsorption of ion 2 on left wall = -0.313335354 Relative adsorption of ion 2 on right wall = 0.450678785 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00902681487 Right electrode charge = -0.00902681487 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99331 Bulk concentration of Na = 0.99468 ________________________________________________________________________ Average electrode charge 1 = 0.00798937929 Average electrode charge 2 = -0.00798937929 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.334222 -0.516471 -0.504427 ________________________________________________________________________ Electrode charge exchange: 0.0781574956 Move Jump Cl: 0.93416 0.37060 Na: 0.93574 0.36986 ________________________________________________________________________ Create NaCl : 60476. / 165251. = 0.36596 Destroy NaCl : 60473. / 164622. = 0.36734 ________________________________________________________________________ Potential at left wall /kT = 1.02309092 Potential at right wall /kT = -1.04480397 ------------------------------------------------------------------------ Potential at left wall /mV = 26.4477589 Potential at right wall /mV = -27.0090595 ________________________________________________________________________ Capacitance of left DL = 0.0614343062 Capacitance of right DL = 0.0601575822 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.78103871 Capacitance of right DL [F/m2] = 3.70246139 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.54595706 Adsorption of ion 1 on right wall = -3.856349 Adsorption of ion 2 on left wall = -3.69065174 Adsorption of ion 2 on right wall = 5.11453614 ------------------------------------------------------------------------ net charge in left DL = -9.2366088 10.3348794 net charge in right DL = 8.97088514 -10.3348794 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.53662523 Relative adsorption of ion 1 on right wall = -0.373139234 Relative adsorption of ion 2 on left wall = -0.357106415 Relative adsorption of ion 2 on right wall = 0.494881064 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00770062172 Right electrode charge = -0.00770062172 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99259 Bulk concentration of Na = 0.99469 ________________________________________________________________________ Average electrode charge 1 = 0.00798364696 Average electrode charge 2 = -0.00798364696 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.333506 -0.516471 -0.503711 ________________________________________________________________________ Electrode charge exchange: 0.0781390927 Move Jump Cl: 0.93403 0.37073 Na: 0.93587 0.37032 ________________________________________________________________________ Create NaCl : 65943. / 180153. = 0.36604 Destroy NaCl : 65948. / 179618. = 0.36716 ________________________________________________________________________ Potential at left wall /kT = 1.04911369 Potential at right wall /kT = -1.07594635 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1204692 Potential at right wall /mV = -27.8141161 ________________________________________________________________________ Capacitance of left DL = 0.0511085889 Capacitance of right DL = 0.049834009 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.68725184 Capacitance of right DL [F/m2] = 3.59529671 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.55661354 Adsorption of ion 1 on right wall = -3.78207257 Adsorption of ion 2 on left wall = -3.76306066 Adsorption of ion 2 on right wall = 5.12814489 ------------------------------------------------------------------------ net charge in left DL = -9.31967421 8.81650928 net charge in right DL = 8.91021746 -8.81650928 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.630250972 Relative adsorption of ion 1 on right wall = -0.428976191 Relative adsorption of ion 2 on left wall = -0.426819792 Relative adsorption of ion 2 on right wall = 0.581652526 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00861926138 Right electrode charge = -0.00861926138 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99327 Bulk concentration of Na = 0.99491 ________________________________________________________________________ Average electrode charge 1 = 0.00797273324 Average electrode charge 2 = -0.00797273324 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.334410 -0.516471 -0.504615 ________________________________________________________________________ Electrode charge exchange: 0.0781675448 Move Jump Cl: 0.93404 0.37101 Na: 0.93607 0.37023 ________________________________________________________________________ Create NaCl : 71446. / 195179. = 0.36605 Destroy NaCl : 71456. / 194445. = 0.36749 ________________________________________________________________________ Potential at left wall /kT = 1.07334858 Potential at right wall /kT = -1.10270187 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7469617 Potential at right wall /mV = -28.5057688 ________________________________________________________________________ Capacitance of left DL = 0.0559139168 Capacitance of right DL = 0.0544255205 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.6039982 Capacitance of right DL [F/m2] = 3.50806185 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.57288015 Adsorption of ion 1 on right wall = -3.88406473 Adsorption of ion 2 on left wall = -3.70563162 Adsorption of ion 2 on right wall = 5.07660043 ------------------------------------------------------------------------ net charge in left DL = -9.27851177 9.86826787 net charge in right DL = 8.96066515 -9.86826787 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.564727287 Relative adsorption of ion 1 on right wall = -0.393591335 Relative adsorption of ion 2 on left wall = -0.375509833 Relative adsorption of ion 2 on right wall = 0.514436829 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00536899303 Right electrode charge = -0.00536899303 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99431 Bulk concentration of Na = 0.99589 ________________________________________________________________________ Average electrode charge 1 = 0.00791439608 Average electrode charge 2 = -0.00791439608 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.336442 -0.516471 -0.506646 ________________________________________________________________________ Electrode charge exchange: 0.078182233 Move Jump Cl: 0.93440 0.37129 Na: 0.93591 0.37013 ________________________________________________________________________ Create NaCl : 76880. / 210251. = 0.36566 Destroy NaCl : 76887. / 209147. = 0.36762 ________________________________________________________________________ Potential at left wall /kT = 1.08984756 Potential at right wall /kT = -1.11385064 ------------------------------------------------------------------------ Potential at left wall /mV = 28.173474 Potential at right wall /mV = -28.7939737 ________________________________________________________________________ Capacitance of left DL = 0.0343018654 Capacitance of right DL = 0.0335626725 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.54943803 Capacitance of right DL [F/m2] = 3.47294892 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.43364177 Adsorption of ion 1 on right wall = -3.96806894 Adsorption of ion 2 on left wall = -3.78780774 Adsorption of ion 2 on right wall = 4.94426964 ------------------------------------------------------------------------ net charge in left DL = -9.22144951 6.14700716 net charge in right DL = 8.91233858 -6.14700716 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.883949153 Relative adsorption of ion 1 on right wall = -0.645528602 Relative adsorption of ion 2 on left wall = -0.616203567 Relative adsorption of ion 2 on right wall = 0.804337706 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00642098031 Right electrode charge = -0.00642098031 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99484 Bulk concentration of Na = 0.99687 ________________________________________________________________________ Average electrode charge 1 = 0.00794559208 Average electrode charge 2 = -0.00794559208 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.337954 -0.516471 -0.508159 ________________________________________________________________________ Electrode charge exchange: 0.0782303282 Move Jump Cl: 0.93425 0.37099 Na: 0.93551 0.37019 ________________________________________________________________________ Create NaCl : 82374. / 225454. = 0.36537 Destroy NaCl : 82380. / 224014. = 0.36774 ________________________________________________________________________ Potential at left wall /kT = 1.06820311 Potential at right wall /kT = -1.08294476 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6139469 Potential at right wall /mV = -27.9950308 ________________________________________________________________________ Capacitance of left DL = 0.0418541139 Capacitance of right DL = 0.0412843725 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.62135845 Capacitance of right DL [F/m2] = 3.57206251 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.46622474 Adsorption of ion 1 on right wall = -3.92396637 Adsorption of ion 2 on left wall = -3.81333407 Adsorption of ion 2 on right wall = 4.96161259 ------------------------------------------------------------------------ net charge in left DL = -9.27955882 7.35143661 net charge in right DL = 8.88557896 -7.35143661 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.743558712 Relative adsorption of ion 1 on right wall = -0.533768646 Relative adsorption of ion 2 on left wall = -0.518719575 Relative adsorption of ion 2 on right wall = 0.674917415 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00811393267 Right electrode charge = -0.00811393267 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99537 Bulk concentration of Na = 0.99741 ________________________________________________________________________ Average electrode charge 1 = 0.00793360788 Average electrode charge 2 = -0.00793360788 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.339039 -0.516471 -0.509244 ________________________________________________________________________ Electrode charge exchange: 0.078191517 Move Jump Cl: 0.93419 0.37090 Na: 0.93546 0.37015 ________________________________________________________________________ Create NaCl : 87917. / 240638. = 0.36535 Destroy NaCl : 87924. / 238900. = 0.36804 ________________________________________________________________________ Potential at left wall /kT = 1.0359681 Potential at right wall /kT = -1.05118423 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7806448 Potential at right wall /mV = -27.1739944 ________________________________________________________________________ Capacitance of left DL = 0.0545350441 Capacitance of right DL = 0.0537456373 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.73404003 Capacitance of right DL [F/m2] = 3.67998898 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.4479312 Adsorption of ion 1 on right wall = -3.87706775 Adsorption of ion 2 on left wall = -3.80073322 Adsorption of ion 2 on right wall = 4.97475948 ------------------------------------------------------------------------ net charge in left DL = -9.24866443 9.28971261 net charge in right DL = 8.85182724 -9.28971261 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.586447766 Relative adsorption of ion 1 on right wall = -0.417350667 Relative adsorption of ion 2 on left wall = -0.409133564 Relative adsorption of ion 2 on right wall = 0.535512743 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00642249512 Right electrode charge = -0.00642249512 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99499 Bulk concentration of Na = 0.99700 ________________________________________________________________________ Average electrode charge 1 = 0.00791766805 Average electrode charge 2 = -0.00791766805 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.338233 -0.516471 -0.508437 ________________________________________________________________________ Electrode charge exchange: 0.078182133 Move Jump Cl: 0.93443 0.37107 Na: 0.93510 0.37032 ________________________________________________________________________ Create NaCl : 93538. / 255630. = 0.36591 Destroy NaCl : 93542. / 253890. = 0.36844 ________________________________________________________________________ Potential at left wall /kT = 1.00139872 Potential at right wall /kT = -1.01692006 ------------------------------------------------------------------------ Potential at left wall /mV = 25.8869972 Potential at right wall /mV = -26.2882369 ________________________________________________________________________ Capacitance of left DL = 0.04465678 Capacitance of right DL = 0.0439751796 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.86294321 Capacitance of right DL [F/m2] = 3.80398276 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.3471135 Adsorption of ion 1 on right wall = -3.83801788 Adsorption of ion 2 on left wall = -3.85893821 Adsorption of ion 2 on right wall = 4.97747944 ------------------------------------------------------------------------ net charge in left DL = -9.20605171 7.35317094 net charge in right DL = 8.81549731 -7.35317094 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.727184713 Relative adsorption of ion 1 on right wall = -0.521954122 Relative adsorption of ion 2 on left wall = -0.524799198 Relative adsorption of ion 2 on right wall = 0.676916051 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00864341053 Right electrode charge = -0.00864341053 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99364 Bulk concentration of Na = 0.99565 ________________________________________________________________________ Average electrode charge 1 = 0.00792545569 Average electrode charge 2 = -0.00792545569 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.335529 -0.516471 -0.505734 ________________________________________________________________________ Electrode charge exchange: 0.0782081001 Move Jump Cl: 0.93476 0.37129 Na: 0.93514 0.37047 ________________________________________________________________________ Create NaCl : 99116. / 270697. = 0.36615 Destroy NaCl : 99132. / 268879. = 0.36869 ________________________________________________________________________ Potential at left wall /kT = 1.02119569 Potential at right wall /kT = -1.04513366 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3987655 Potential at right wall /mV = -27.0175823 ________________________________________________________________________ Capacitance of left DL = 0.0589341225 Capacitance of right DL = 0.0575842822 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.78805592 Capacitance of right DL [F/m2] = 3.70129344 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.46657367 Adsorption of ion 1 on right wall = -3.76019763 Adsorption of ion 2 on left wall = -3.76190402 Adsorption of ion 2 on right wall = 5.07666172 ------------------------------------------------------------------------ net charge in left DL = -9.22847769 9.89591645 net charge in right DL = 8.83685935 -9.89591645 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.552407015 Relative adsorption of ion 1 on right wall = -0.379974674 Relative adsorption of ion 2 on left wall = -0.380147108 Relative adsorption of ion 2 on right wall = 0.513005718 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00695385247 Right electrode charge = -0.00695385247 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99324 Bulk concentration of Na = 0.99523 ________________________________________________________________________ Average electrode charge 1 = 0.00792046276 Average electrode charge 2 = -0.00792046276 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.334699 -0.516471 -0.504904 ________________________________________________________________________ Electrode charge exchange: 0.0782892261 Move Jump Cl: 0.93470 0.37123 Na: 0.93507 0.37048 ________________________________________________________________________ Create NaCl : 104681. / 285698. = 0.36640 Destroy NaCl : 104688. / 284095. = 0.36850 ________________________________________________________________________ Potential at left wall /kT = 1.02327875 Potential at right wall /kT = -1.0491094 ------------------------------------------------------------------------ Potential at left wall /mV = 26.4526145 Potential at right wall /mV = -27.1203583 ________________________________________________________________________ Capacitance of left DL = 0.0473175412 Capacitance of right DL = 0.0461525124 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.78034467 Capacitance of right DL [F/m2] = 3.68726691 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.35374234 Adsorption of ion 1 on right wall = -3.6760217 Adsorption of ion 2 on left wall = -3.86857812 Adsorption of ion 2 on right wall = 5.15943504 ------------------------------------------------------------------------ net charge in left DL = -9.22232045 7.96152662 net charge in right DL = 8.83545674 -7.96152662 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.672451728 Relative adsorption of ion 1 on right wall = -0.461723219 Relative adsorption of ion 2 on left wall = -0.485909085 Relative adsorption of ion 2 on right wall = 0.648045945 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00669218246 Right electrode charge = -0.00669218246 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99385 Bulk concentration of Na = 0.99577 ________________________________________________________________________ Average electrode charge 1 = 0.00794703667 Average electrode charge 2 = -0.00794703667 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.335863 -0.516471 -0.506067 ________________________________________________________________________ Electrode charge exchange: 0.0782947155 Move Jump Cl: 0.93454 0.37125 Na: 0.93500 0.37068 ________________________________________________________________________ Create NaCl : 110238. / 300785. = 0.36650 Destroy NaCl : 110220. / 299074. = 0.36854 ________________________________________________________________________ Potential at left wall /kT = 1.00839146 Potential at right wall /kT = -1.03574825 ------------------------------------------------------------------------ Potential at left wall /mV = 26.0677656 Potential at right wall /mV = -26.7749615 ________________________________________________________________________ Capacitance of left DL = 0.0462092868 Capacitance of right DL = 0.0449887802 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.83615541 Capacitance of right DL [F/m2] = 3.73483264 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.35052668 Adsorption of ion 1 on right wall = -3.61486249 Adsorption of ion 2 on left wall = -3.88457683 Adsorption of ion 2 on right wall = 5.24641733 ------------------------------------------------------------------------ net charge in left DL = -9.23510351 7.66193833 net charge in right DL = 8.86127982 -7.66193833 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.698325468 Relative adsorption of ion 1 on right wall = -0.471794777 Relative adsorption of ion 2 on left wall = -0.50699662 Relative adsorption of ion 2 on right wall = 0.684737609 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00869599548 Right electrode charge = -0.00869599548 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99512 Bulk concentration of Na = 0.99708 ________________________________________________________________________ Average electrode charge 1 = 0.00797709338 Average electrode charge 2 = -0.00797709338 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.338456 -0.516471 -0.508660 ________________________________________________________________________ Electrode charge exchange: 0.0782744473 Move Jump Cl: 0.93460 0.37103 Na: 0.93468 0.37042 ________________________________________________________________________ Create NaCl : 115732. / 315707. = 0.36658 Destroy NaCl : 115727. / 313840. = 0.36875 ________________________________________________________________________ Potential at left wall /kT = 0.981316545 Potential at right wall /kT = -1.0088651 ------------------------------------------------------------------------ Potential at left wall /mV = 25.3678562 Potential at right wall /mV = -26.0800094 ________________________________________________________________________ Capacitance of left DL = 0.0617022266 Capacitance of right DL = 0.0600173561 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.94199648 Capacitance of right DL [F/m2] = 3.83435444 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.35796191 Adsorption of ion 1 on right wall = -3.61870079 Adsorption of ion 2 on left wall = -3.89596606 Adsorption of ion 2 on right wall = 5.25465219 ------------------------------------------------------------------------ net charge in left DL = -9.25392797 9.95612142 net charge in right DL = 8.87335298 -9.95612142 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.53815755 Relative adsorption of ion 1 on right wall = -0.363464911 Relative adsorption of ion 2 on left wall = -0.391313635 Relative adsorption of ion 2 on right wall = 0.527781048 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0118959869 Right electrode charge = -0.0118959869 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99558 Bulk concentration of Na = 0.99741 ________________________________________________________________________ Average electrode charge 1 = 0.00796464553 Average electrode charge 2 = -0.00796464553 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.339245 -0.516471 -0.509449 ________________________________________________________________________ Electrode charge exchange: 0.0782648409 Move Jump Cl: 0.93454 0.37094 Na: 0.93489 0.37044 ________________________________________________________________________ Create NaCl : 121181. / 330705. = 0.36643 Destroy NaCl : 121185. / 328671. = 0.36871 ________________________________________________________________________ Potential at left wall /kT = 0.98515874 Potential at right wall /kT = -1.00812696 ------------------------------------------------------------------------ Potential at left wall /mV = 25.4671802 Potential at right wall /mV = -26.0609279 ________________________________________________________________________ Capacitance of left DL = 0.0840784923 Capacitance of right DL = 0.0821629267 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.9266224 Capacitance of right DL [F/m2] = 3.83716191 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.34509284 Adsorption of ion 1 on right wall = -3.75178595 Adsorption of ion 2 on left wall = -3.88297342 Adsorption of ion 2 on right wall = 5.12144022 ------------------------------------------------------------------------ net charge in left DL = -9.22806625 13.6198196 net charge in right DL = 8.87322617 -13.6198196 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.392449605 Relative adsorption of ion 1 on right wall = -0.275465172 Relative adsorption of ion 2 on left wall = -0.285097272 Relative adsorption of ion 2 on right wall = 0.376028491 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00973264392 Right electrode charge = -0.00973264392 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99525 Bulk concentration of Na = 0.99701 ________________________________________________________________________ Average electrode charge 1 = 0.00796061819 Average electrode charge 2 = -0.00796061819 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.338507 -0.516471 -0.508712 ________________________________________________________________________ Electrode charge exchange: 0.0782145465 Move Jump Cl: 0.93449 0.37122 Na: 0.93497 0.37045 ________________________________________________________________________ Create NaCl : 126724. / 345675. = 0.36660 Destroy NaCl : 126729. / 343605. = 0.36882 ________________________________________________________________________ Potential at left wall /kT = 0.981603894 Potential at right wall /kT = -1.00556155 ------------------------------------------------------------------------ Potential at left wall /mV = 25.3752844 Potential at right wall /mV = -25.99461 ________________________________________________________________________ Capacitance of left DL = 0.0690375252 Capacitance of right DL = 0.0673926956 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.94084253 Capacitance of right DL [F/m2] = 3.84695135 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.2671196 Adsorption of ion 1 on right wall = -3.68172171 Adsorption of ion 2 on left wall = -3.94919243 Adsorption of ion 2 on right wall = 5.19187931 ------------------------------------------------------------------------ net charge in left DL = -9.21631202 11.1429893 net charge in right DL = 8.87360102 -11.1429893 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.472684614 Relative adsorption of ion 1 on right wall = -0.330407004 Relative adsorption of ion 2 on left wall = -0.354410502 Relative adsorption of ion 2 on right wall = 0.465932361 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00546637416 Right electrode charge = -0.00546637416 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99515 Bulk concentration of Na = 0.99689 ________________________________________________________________________ Average electrode charge 1 = 0.00794696105 Average electrode charge 2 = -0.00794696105 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.338292 -0.516471 -0.508497 ________________________________________________________________________ Electrode charge exchange: 0.0782610921 Move Jump Cl: 0.93460 0.37139 Na: 0.93499 0.37045 ________________________________________________________________________ Create NaCl : 132228. / 360670. = 0.36662 Destroy NaCl : 132237. / 358548. = 0.36881 ________________________________________________________________________ Potential at left wall /kT = 0.947298659 Potential at right wall /kT = -0.972034143 ------------------------------------------------------------------------ Potential at left wall /mV = 24.4884653 Potential at right wall /mV = -25.1278983 ________________________________________________________________________ Capacitance of left DL = 0.0401793665 Capacitance of right DL = 0.0391569168 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.0835552 Capacitance of right DL [F/m2] = 3.97964043 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.22864932 Adsorption of ion 1 on right wall = -3.65287082 Adsorption of ion 2 on left wall = -3.94967603 Adsorption of ion 2 on right wall = 5.18597883 ------------------------------------------------------------------------ net charge in left DL = -9.17832534 6.25849968 net charge in right DL = 8.83884966 -6.25849968 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.835447725 Relative adsorption of ion 1 on right wall = -0.583665577 Relative adsorption of ion 2 on left wall = -0.631089915 Relative adsorption of ion 2 on right wall = 0.82862972 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00615169653 Right electrode charge = -0.00615169653 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99446 Bulk concentration of Na = 0.99640 ________________________________________________________________________ Average electrode charge 1 = 0.00795396978 Average electrode charge 2 = -0.00795396978 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.337104 -0.516471 -0.507309 ________________________________________________________________________ Electrode charge exchange: 0.0782574392 Move Jump Cl: 0.93466 0.37132 Na: 0.93481 0.37037 ________________________________________________________________________ Create NaCl : 137749. / 375485. = 0.36686 Destroy NaCl : 137761. / 373528. = 0.36881 ________________________________________________________________________ Potential at left wall /kT = 0.919440329 Potential at right wall /kT = -0.941615057 ------------------------------------------------------------------------ Potential at left wall /mV = 23.7683041 Potential at right wall /mV = -24.3415394 ________________________________________________________________________ Capacitance of left DL = 0.0465867063 Capacitance of right DL = 0.0454896045 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.20728377 Capacitance of right DL [F/m2] = 4.1082036 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.27717484 Adsorption of ion 1 on right wall = -3.63012449 Adsorption of ion 2 on left wall = -3.90832872 Adsorption of ion 2 on right wall = 5.17971728 ------------------------------------------------------------------------ net charge in left DL = -9.18550356 7.04313126 net charge in right DL = 8.80984177 -7.04313126 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.74926544 Relative adsorption of ion 1 on right wall = -0.515413437 Relative adsorption of ion 2 on left wall = -0.554913514 Relative adsorption of ion 2 on right wall = 0.735428191 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0109905389 Right electrode charge = -0.0109905389 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99443 Bulk concentration of Na = 0.99599 ________________________________________________________________________ Average electrode charge 1 = 0.00794267406 Average electrode charge 2 = -0.00794267406 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.336666 -0.516471 -0.506870 ________________________________________________________________________ Electrode charge exchange: 0.0783111068 Move Jump Cl: 0.93478 0.37145 Na: 0.93474 0.37044 ________________________________________________________________________ Create NaCl : 143296. / 390388. = 0.36706 Destroy NaCl : 143293. / 388567. = 0.36877 ________________________________________________________________________ Potential at left wall /kT = 0.903643033 Potential at right wall /kT = -0.928133814 ------------------------------------------------------------------------ Potential at left wall /mV = 23.3599307 Potential at right wall /mV = -23.993038 ________________________________________________________________________ Capacitance of left DL = 0.0846862173 Capacitance of right DL = 0.0824515917 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.28083461 Capacitance of right DL [F/m2] = 4.1678757 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25864662 Adsorption of ion 1 on right wall = -3.64119568 Adsorption of ion 2 on left wall = -3.86848143 Adsorption of ion 2 on right wall = 5.18277242 ------------------------------------------------------------------------ net charge in left DL = -9.12712805 12.5831642 net charge in right DL = 8.8239681 -12.5831642 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.417911307 Relative adsorption of ion 1 on right wall = -0.289370433 Relative adsorption of ion 2 on left wall = -0.307433119 Relative adsorption of ion 2 on right wall = 0.411881488 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00531466581 Right electrode charge = -0.00531466581 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99494 Bulk concentration of Na = 0.99656 ________________________________________________________________________ Average electrode charge 1 = 0.00793084553 Average electrode charge 2 = -0.00793084553 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.337751 -0.516471 -0.507956 ________________________________________________________________________ Electrode charge exchange: 0.0783193795 Move Jump Cl: 0.93494 0.37115 Na: 0.93452 0.37031 ________________________________________________________________________ Create NaCl : 148818. / 405472. = 0.36702 Destroy NaCl : 148834. / 403724. = 0.36865 ________________________________________________________________________ Potential at left wall /kT = 0.925387818 Potential at right wall /kT = -0.955751412 ------------------------------------------------------------------------ Potential at left wall /mV = 23.9220517 Potential at right wall /mV = -24.7069761 ________________________________________________________________________ Capacitance of left DL = 0.039989211 Capacitance of right DL = 0.03871878 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.18024346 Capacitance of right DL [F/m2] = 4.04743987 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.23318403 Adsorption of ion 1 on right wall = -3.69111227 Adsorption of ion 2 on left wall = -3.90255257 Adsorption of ion 2 on right wall = 5.1303178 ------------------------------------------------------------------------ net charge in left DL = -9.1357366 6.08480745 net charge in right DL = 8.82143007 -6.08480745 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.860041024 Relative adsorption of ion 1 on right wall = -0.606611187 Relative adsorption of ion 2 on left wall = -0.641360076 Relative adsorption of ion 2 on right wall = 0.843135604 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00875166014 Right electrode charge = -0.00875166014 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99463 Bulk concentration of Na = 0.99618 ________________________________________________________________________ Average electrode charge 1 = 0.0079326039 Average electrode charge 2 = -0.0079326039 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.337058 -0.516471 -0.507263 ________________________________________________________________________ Electrode charge exchange: 0.0782267816 Move Jump Cl: 0.93486 0.37108 Na: 0.93456 0.37040 ________________________________________________________________________ Create NaCl : 154306. / 420311. = 0.36712 Destroy NaCl : 154299. / 418728. = 0.36849 ________________________________________________________________________ Potential at left wall /kT = 0.952393293 Potential at right wall /kT = -0.97992438 ------------------------------------------------------------------------ Potential at left wall /mV = 24.6201659 Potential at right wall /mV = -25.3318676 ________________________________________________________________________ Capacitance of left DL = 0.0639830249 Capacitance of right DL = 0.0621854146 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.06171106 Capacitance of right DL [F/m2] = 3.94759683 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.26228533 Adsorption of ion 1 on right wall = -3.69945872 Adsorption of ion 2 on left wall = -3.8841618 Adsorption of ion 2 on right wall = 5.14487867 ------------------------------------------------------------------------ net charge in left DL = -9.14644713 10.0198524 net charge in right DL = 8.84433739 -10.0198524 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.525185914 Relative adsorption of ion 1 on right wall = -0.369212896 Relative adsorption of ion 2 on left wall = -0.38764661 Relative adsorption of ion 2 on right wall = 0.513468511 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00891270707 Right electrode charge = -0.00891270707 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 183 -1.00 3.0000 1.5000 Na ion: 183 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99484 Bulk concentration of Na = 0.99639 ________________________________________________________________________ Average electrode charge 1 = 0.00795127519 Average electrode charge 2 = -0.00795127519 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.337470 -0.516471 -0.507674 ________________________________________________________________________ Electrode charge exchange: 0.0781990666 Move Jump Cl: 0.93494 0.37102 Na: 0.93453 0.37022 ________________________________________________________________________ Create NaCl : 159801. / 435155. = 0.36723 Destroy NaCl : 159818. / 433896. = 0.36833 ________________________________________________________________________ Potential at left wall /kT = 0.975510913 Potential at right wall /kT = -1.00640324 ------------------------------------------------------------------------ Potential at left wall /mV = 25.2177758 Potential at right wall /mV = -26.0163684 ________________________________________________________________________ Capacitance of left DL = 0.0636162629 Capacitance of right DL = 0.0616635123 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.96545679 Capacitance of right DL [F/m2] = 3.84373401 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.30894155 Adsorption of ion 1 on right wall = -3.76846937 Adsorption of ion 2 on left wall = -3.87192528 Adsorption of ion 2 on right wall = 5.1109592 ------------------------------------------------------------------------ net charge in left DL = -9.18086683 10.2042364 net charge in right DL = 8.87942857 -10.2042364 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.52026838 Relative adsorption of ion 1 on right wall = -0.369304396 Relative adsorption of ion 2 on left wall = -0.379442922 Relative adsorption of ion 2 on right wall = 0.500866404 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00868476857 Right electrode charge = -0.00868476857 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99544 Bulk concentration of Na = 0.99685 ________________________________________________________________________ Average electrode charge 1 = 0.00795926826 Average electrode charge 2 = -0.00795926826 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.338538 -0.516471 -0.508743 ________________________________________________________________________ Electrode charge exchange: 0.0782354231 Move Jump Cl: 0.93484 0.37096 Na: 0.93450 0.37025 ________________________________________________________________________ Create NaCl : 165359. / 450186. = 0.36731 Destroy NaCl : 165373. / 448845. = 0.36844 ________________________________________________________________________ Potential at left wall /kT = 0.956207362 Potential at right wall /kT = -0.984322233 ------------------------------------------------------------------------ Potential at left wall /mV = 24.7187628 Potential at right wall /mV = -25.4455558 ________________________________________________________________________ Capacitance of left DL = 0.063240722 Capacitance of right DL = 0.0614343981 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.04550992 Capacitance of right DL [F/m2] = 3.92995936 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.23492848 Adsorption of ion 1 on right wall = -3.80789874 Adsorption of ion 2 on left wall = -3.92788878 Adsorption of ion 2 on right wall = 5.08042956 ------------------------------------------------------------------------ net charge in left DL = -9.16281725 9.94326763 net charge in right DL = 8.8883283 -9.94326763 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.526479692 Relative adsorption of ion 1 on right wall = -0.382962512 Relative adsorption of ion 2 on left wall = -0.395029976 Relative adsorption of ion 2 on right wall = 0.510941649 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00654709143 Right electrode charge = -0.00654709143 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99424 Bulk concentration of Na = 0.99574 ________________________________________________________________________ Average electrode charge 1 = 0.0079508456 Average electrode charge 2 = -0.0079508456 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.336221 -0.516471 -0.506425 ________________________________________________________________________ Electrode charge exchange: 0.0781751683 Move Jump Cl: 0.93471 0.37084 Na: 0.93450 0.37036 ________________________________________________________________________ Create NaCl : 170957. / 465104. = 0.36757 Destroy NaCl : 170968. / 464008. = 0.36846 ________________________________________________________________________ Potential at left wall /kT = 0.954125561 Potential at right wall /kT = -0.980378018 ------------------------------------------------------------------------ Potential at left wall /mV = 24.6649464 Potential at right wall /mV = -25.3435945 ________________________________________________________________________ Capacitance of left DL = 0.0477786119 Capacitance of right DL = 0.0464992013 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.0543368 Capacitance of right DL [F/m2] = 3.9457702 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.3193362 Adsorption of ion 1 on right wall = -3.75702617 Adsorption of ion 2 on left wall = -3.84122343 Adsorption of ion 2 on right wall = 5.11236797 ------------------------------------------------------------------------ net charge in left DL = -9.16055962 7.49582235 net charge in right DL = 8.86939414 -7.49582235 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.70964011 Relative adsorption of ion 1 on right wall = -0.50121601 Relative adsorption of ion 2 on left wall = -0.512448568 Relative adsorption of ion 2 on right wall = 0.682028967 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00808414228 Right electrode charge = -0.00808414228 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99384 Bulk concentration of Na = 0.99533 ________________________________________________________________________ Average electrode charge 1 = 0.00793469671 Average electrode charge 2 = -0.00793469671 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.335398 -0.516471 -0.505602 ________________________________________________________________________ Electrode charge exchange: 0.0781676405 Move Jump Cl: 0.93478 0.37098 Na: 0.93458 0.37051 ________________________________________________________________________ Create NaCl : 176459. / 480063. = 0.36757 Destroy NaCl : 176477. / 478933. = 0.36848 ________________________________________________________________________ Potential at left wall /kT = 0.954369149 Potential at right wall /kT = -0.984920653 ------------------------------------------------------------------------ Potential at left wall /mV = 24.6712434 Potential at right wall /mV = -25.4610254 ________________________________________________________________________ Capacitance of left DL = 0.0589804673 Capacitance of right DL = 0.0571509372 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.05330199 Capacitance of right DL [F/m2] = 3.92757159 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.3841316 Adsorption of ion 1 on right wall = -3.81875486 Adsorption of ion 2 on left wall = -3.75938249 Adsorption of ion 2 on right wall = 5.03493835 ------------------------------------------------------------------------ net charge in left DL = -9.14351409 9.25560532 net charge in right DL = 8.8536932 -9.25560532 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581715772 Relative adsorption of ion 1 on right wall = -0.412588342 Relative adsorption of ion 2 on left wall = -0.406173595 Relative adsorption of ion 2 on right wall = 0.543988013 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00810504341 Right electrode charge = -0.00810504341 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99391 Bulk concentration of Na = 0.99557 ________________________________________________________________________ Average electrode charge 1 = 0.00793308238 Average electrode charge 2 = -0.00793308238 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.335715 -0.516471 -0.505920 ________________________________________________________________________ Electrode charge exchange: 0.0781512494 Move Jump Cl: 0.93478 0.37107 Na: 0.93456 0.37056 ________________________________________________________________________ Create NaCl : 182011. / 495129. = 0.36760 Destroy NaCl : 182031. / 493912. = 0.36855 ________________________________________________________________________ Potential at left wall /kT = 0.950065816 Potential at right wall /kT = -0.981127848 ------------------------------------------------------------------------ Potential at left wall /mV = 24.5599986 Potential at right wall /mV = -25.3629782 ________________________________________________________________________ Capacitance of left DL = 0.0594008016 Capacitance of right DL = 0.057520201 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.07166146 Capacitance of right DL [F/m2] = 3.94275463 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.42002134 Adsorption of ion 1 on right wall = -3.8326428 Adsorption of ion 2 on left wall = -3.73682884 Adsorption of ion 2 on right wall = 4.99986863 ------------------------------------------------------------------------ net charge in left DL = -9.15685018 9.27953522 net charge in right DL = 8.83251143 -9.27953522 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.584083278 Relative adsorption of ion 1 on right wall = -0.413020987 Relative adsorption of ion 2 on left wall = -0.40269569 Relative adsorption of ion 2 on right wall = 0.538805933 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0108036727 Right electrode charge = -0.0108036727 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99414 Bulk concentration of Na = 0.99564 ________________________________________________________________________ Average electrode charge 1 = 0.00794740751 Average electrode charge 2 = -0.00794740751 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.336021 -0.516471 -0.506226 ________________________________________________________________________ Electrode charge exchange: 0.078177127 Move Jump Cl: 0.93494 0.37110 Na: 0.93457 0.37049 ________________________________________________________________________ Create NaCl : 187535. / 510170. = 0.36759 Destroy NaCl : 187531. / 508722. = 0.36863 ________________________________________________________________________ Potential at left wall /kT = 0.959401443 Potential at right wall /kT = -0.994370201 ------------------------------------------------------------------------ Potential at left wall /mV = 24.8013324 Potential at right wall /mV = -25.7053042 ________________________________________________________________________ Capacitance of left DL = 0.0784082396 Capacitance of right DL = 0.0756508775 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.03204143 Capacitance of right DL [F/m2] = 3.89024769 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.43635031 Adsorption of ion 1 on right wall = -3.87912861 Adsorption of ion 2 on left wall = -3.72666656 Adsorption of ion 2 on right wall = 4.99204864 ------------------------------------------------------------------------ net charge in left DL = -9.16301687 12.3692195 net charge in right DL = 8.87117725 -12.3692195 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.439506333 Relative adsorption of ion 1 on right wall = -0.313611429 Relative adsorption of ion 2 on left wall = -0.301285506 Relative adsorption of ion 2 on right wall = 0.403586389 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00985421787 Right electrode charge = -0.00985421787 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99389 Bulk concentration of Na = 0.99530 ________________________________________________________________________ Average electrode charge 1 = 0.00797547393 Average electrode charge 2 = -0.00797547393 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.335420 -0.516471 -0.505624 ________________________________________________________________________ Electrode charge exchange: 0.0782362667 Move Jump Cl: 0.93484 0.37129 Na: 0.93453 0.37049 ________________________________________________________________________ Create NaCl : 192950. / 525055. = 0.36749 Destroy NaCl : 192945. / 523628. = 0.36848 ________________________________________________________________________ Potential at left wall /kT = 0.966762839 Potential at right wall /kT = -1.00333278 ------------------------------------------------------------------------ Potential at left wall /mV = 24.9916307 Potential at right wall /mV = -25.9369944 ________________________________________________________________________ Capacitance of left DL = 0.0709729512 Capacitance of right DL = 0.0683860957 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.00133954 Capacitance of right DL [F/m2] = 3.85549684 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.44770313 Adsorption of ion 1 on right wall = -3.88894496 Adsorption of ion 2 on left wall = -3.74188658 Adsorption of ion 2 on right wall = 5.02617294 ------------------------------------------------------------------------ net charge in left DL = -9.18958972 11.2821804 net charge in right DL = 8.9151179 -11.2821804 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.482859071 Relative adsorption of ion 1 on right wall = -0.344697996 Relative adsorption of ion 2 on left wall = -0.331663425 Relative adsorption of ion 2 on right wall = 0.445496595 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0121727839 Right electrode charge = -0.0121727839 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99366 Bulk concentration of Na = 0.99517 ________________________________________________________________________ Average electrode charge 1 = 0.00799141 Average electrode charge 2 = -0.00799141 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.335062 -0.516471 -0.505266 ________________________________________________________________________ Electrode charge exchange: 0.078190221 Move Jump Cl: 0.93467 0.37101 Na: 0.93437 0.37055 ________________________________________________________________________ Create NaCl : 198432. / 540086. = 0.36741 Destroy NaCl : 198443. / 538474. = 0.36853 ________________________________________________________________________ Potential at left wall /kT = 0.967415045 Potential at right wall /kT = -1.00413822 ------------------------------------------------------------------------ Potential at left wall /mV = 25.0084908 Potential at right wall /mV = -25.9578156 ________________________________________________________________________ Capacitance of left DL = 0.0876128342 Capacitance of right DL = 0.0844086724 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.99864194 Capacitance of right DL [F/m2] = 3.85240428 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.52337511 Adsorption of ion 1 on right wall = -3.84782489 Adsorption of ion 2 on left wall = -3.69450111 Adsorption of ion 2 on right wall = 5.07496093 ------------------------------------------------------------------------ net charge in left DL = -9.21787622 13.936727 net charge in right DL = 8.92278582 -13.936727 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.396317953 Relative adsorption of ion 1 on right wall = -0.276092435 Relative adsorption of ion 2 on left wall = -0.265091015 Relative adsorption of ion 2 on right wall = 0.364142953 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00928578766 Right electrode charge = -0.00928578766 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99393 Bulk concentration of Na = 0.99536 ________________________________________________________________________ Average electrode charge 1 = 0.00801859172 Average electrode charge 2 = -0.00801859172 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.335533 -0.516471 -0.505738 ________________________________________________________________________ Electrode charge exchange: 0.0782478776 Move Jump Cl: 0.93469 0.37111 Na: 0.93430 0.37057 ________________________________________________________________________ Create NaCl : 203876. / 554976. = 0.36736 Destroy NaCl : 203889. / 553556. = 0.36833 ________________________________________________________________________ Potential at left wall /kT = 0.983926367 Potential at right wall /kT = -1.01911733 ------------------------------------------------------------------------ Potential at left wall /mV = 25.4353223 Potential at right wall /mV = -26.3450383 ________________________________________________________________________ Capacitance of left DL = 0.0657123203 Capacitance of right DL = 0.0634432193 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.93154051 Capacitance of right DL [F/m2] = 3.79578115 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.52068989 Adsorption of ion 1 on right wall = -3.84744704 Adsorption of ion 2 on left wall = -3.72871677 Adsorption of ion 2 on right wall = 5.12313458 ------------------------------------------------------------------------ net charge in left DL = -9.24940667 10.6313797 net charge in right DL = 8.97058162 -10.6313797 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519282546 Relative adsorption of ion 1 on right wall = -0.361895367 Relative adsorption of ion 2 on left wall = -0.350727459 Relative adsorption of ion 2 on right wall = 0.481888028 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0054450369 Right electrode charge = -0.0054450369 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99361 Bulk concentration of Na = 0.99491 ________________________________________________________________________ Average electrode charge 1 = 0.00802052018 Average electrode charge 2 = -0.00802052018 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.334749 -0.516471 -0.504954 ________________________________________________________________________ Electrode charge exchange: 0.0782462975 Move Jump Cl: 0.93480 0.37094 Na: 0.93438 0.37057 ________________________________________________________________________ Create NaCl : 209310. / 569842. = 0.36731 Destroy NaCl : 209316. / 568540. = 0.36816 ________________________________________________________________________ Potential at left wall /kT = 0.965476327 Potential at right wall /kT = -0.996973472 ------------------------------------------------------------------------ Potential at left wall /mV = 24.9583733 Potential at right wall /mV = -25.7726009 ________________________________________________________________________ Capacitance of left DL = 0.0392690008 Capacitance of right DL = 0.0380283846 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.00667138 Capacitance of right DL [F/m2] = 3.88008957 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.54498224 Adsorption of ion 1 on right wall = -3.81770898 Adsorption of ion 2 on left wall = -3.68083916 Adsorption of ion 2 on right wall = 5.15525909 ------------------------------------------------------------------------ net charge in left DL = -9.2258214 6.23407046 net charge in right DL = 8.97296807 -6.23407046 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.88946416 Relative adsorption of ion 1 on right wall = -0.612394263 Relative adsorption of ion 2 on left wall = -0.590439133 Relative adsorption of ion 2 on right wall = 0.826949121 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00848230414 Right electrode charge = -0.00848230414 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99357 Bulk concentration of Na = 0.99482 ________________________________________________________________________ Average electrode charge 1 = 0.00800769296 Average electrode charge 2 = -0.00800769296 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.334625 -0.516471 -0.504830 ________________________________________________________________________ Electrode charge exchange: 0.0782581957 Move Jump Cl: 0.93482 0.37092 Na: 0.93451 0.37050 ________________________________________________________________________ Create NaCl : 214879. / 584824. = 0.36743 Destroy NaCl : 214874. / 583680. = 0.36814 ________________________________________________________________________ Potential at left wall /kT = 0.979558778 Potential at right wall /kT = -1.01290349 ------------------------------------------------------------------------ Potential at left wall /mV = 25.3224164 Potential at right wall /mV = -26.1844051 ________________________________________________________________________ Capacitance of left DL = 0.0602939855 Capacitance of right DL = 0.058309112 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.94907019 Capacitance of right DL [F/m2] = 3.8190671 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.58470086 Adsorption of ion 1 on right wall = -3.8317705 Adsorption of ion 2 on left wall = -3.63088474 Adsorption of ion 2 on right wall = 5.14181739 ------------------------------------------------------------------------ net charge in left DL = -9.2155856 9.71146433 net charge in right DL = 8.9735879 -9.71146433 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.575062696 Relative adsorption of ion 1 on right wall = -0.394561559 Relative adsorption of ion 2 on left wall = -0.373876134 Relative adsorption of ion 2 on right wall = 0.529458506 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102004178 Right electrode charge = -0.0102004178 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 206 -1.00 3.0000 1.5000 Na ion: 206 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99419 Bulk concentration of Na = 0.99531 ________________________________________________________________________ Average electrode charge 1 = 0.00801175653 Average electrode charge 2 = -0.00801175653 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.346266 -15.335733 -0.516471 -0.505938 ________________________________________________________________________ Electrode charge exchange: 0.0782554821 Move Jump Cl: 0.93469 0.37083 Na: 0.93449 0.37026 ________________________________________________________________________ Create NaCl : 220397. / 600097. = 0.36727 Destroy NaCl : 220391. / 598564. = 0.36820 ________________________________________________________________________ Potential at left wall /kT = 0.965871186 Potential at right wall /kT = -1.00054301 ------------------------------------------------------------------------ Potential at left wall /mV = 24.9685807 Potential at right wall /mV = -25.8648765 ________________________________________________________________________ Capacitance of left DL = 0.0735342051 Capacitance of right DL = 0.0709860236 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.00503341 Capacitance of right DL [F/m2] = 3.86624695 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.58671746 Adsorption of ion 1 on right wall = -3.84648712 Adsorption of ion 2 on left wall = -3.61301271 Adsorption of ion 2 on right wall = 5.13565437 ------------------------------------------------------------------------ net charge in left DL = -9.19973017 11.6785477 net charge in right DL = 8.98214149 -11.6785477 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478374333 Relative adsorption of ion 1 on right wall = -0.329363481 Relative adsorption of ion 2 on left wall = -0.309371748 Relative adsorption of ion 2 on right wall = 0.439751115 ________________________________________________________________________ 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 = 54.9646039 starting xl = 54.9646039 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 200 net charge on left wall /e = 18.8560937 net charge on right wall /e = -18.8560937 net charge on walls /e (starting) = 0. Initial sigma = 0.0164695165 net charge on walls = 0. N( 1) = 200 ----------------------------------------- nimax = 200 max = 2000 ntot = 400 max = 12000 ntry = 400 max = 12000 ----------------------------------------- vgc = 1 1.04357847E+11 Cl conc = 1. ----------------------------------------- iter = 4 1 1. 0.995306706 1 -15.3462665 -15.3357334 1 -1.06 -0.505938029 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 4 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00692248919 Right electrode charge = -0.00692248919 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00769 Bulk concentration of Na = 1.00456 ________________________________________________________________________ Average electrode charge 1 = 0.0072143064 Average electrode charge 2 = -0.0072143064 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.347946 -0.505938 -0.518150 ________________________________________________________________________ Electrode charge exchange: 0.0782738492 Move Jump Cl: 0.93379 0.37529 Na: 0.93635 0.37337 ________________________________________________________________________ Create NaCl : 5500. / 14988. = 0.36696 Destroy NaCl : 5493. / 14974. = 0.36684 ________________________________________________________________________ Potential at left wall /kT = 0.624085054 Potential at right wall /kT = -0.769581394 ------------------------------------------------------------------------ Potential at left wall /mV = 16.1331224 Potential at right wall /mV = -19.8943249 ________________________________________________________________________ Capacitance of left DL = 0.0772341119 Capacitance of right DL = 0.0626323028 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 6.19842815 Capacitance of right DL [F/m2] = 5.02655912 ________________________________________________________________________ Adsorption of ion 1 on left wall = 3.74294132 Adsorption of ion 1 on right wall = -4.84932534 Adsorption of ion 2 on left wall = -3.9988287 Adsorption of ion 2 on right wall = 3.49980463 ------------------------------------------------------------------------ net charge in left DL = -7.74177003 7.92561853 net charge in right DL = 8.34912997 -7.92561853 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.472258577 Relative adsorption of ion 1 on right wall = -0.611854497 Relative adsorption of ion 2 on left wall = -0.504544685 Relative adsorption of ion 2 on right wall = 0.441581262 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00645187389 Right electrode charge = -0.00645187389 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01033 Bulk concentration of Na = 1.00697 ________________________________________________________________________ Average electrode charge 1 = 0.00748313072 Average electrode charge 2 = -0.00748313072 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.352947 -0.505938 -0.523152 ________________________________________________________________________ Electrode charge exchange: 0.0782481616 Move Jump Cl: 0.93064 0.37222 Na: 0.93331 0.37280 ________________________________________________________________________ Create NaCl : 10980. / 30053. = 0.36535 Destroy NaCl : 10992. / 29969. = 0.36678 ________________________________________________________________________ Potential at left wall /kT = 0.792835356 Potential at right wall /kT = -0.888865929 ------------------------------------------------------------------------ Potential at left wall /mV = 20.4954593 Potential at right wall /mV = -22.9779302 ________________________________________________________________________ Capacitance of left DL = 0.0566622106 Capacitance of right DL = 0.0505405848 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.8791295 Capacitance of right DL [F/m2] = 4.35200208 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.18961664 Adsorption of ion 1 on right wall = -4.23133336 Adsorption of ion 2 on left wall = -3.91720312 Adsorption of ion 2 on right wall = 4.52916354 ------------------------------------------------------------------------ net charge in left DL = -8.10681976 7.38680694 net charge in right DL = 8.7604969 -7.38680694 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.567175597 Relative adsorption of ion 1 on right wall = -0.57282306 Relative adsorption of ion 2 on left wall = -0.530297212 Relative adsorption of ion 2 on right wall = 0.613142265 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00917561612 Right electrode charge = -0.00917561612 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00085 Bulk concentration of Na = 0.99935 ________________________________________________________________________ Average electrode charge 1 = 0.00801866993 Average electrode charge 2 = -0.00801866993 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.335932 -0.505938 -0.506137 ________________________________________________________________________ Electrode charge exchange: 0.0782291585 Move Jump Cl: 0.93121 0.37109 Na: 0.93335 0.37386 ________________________________________________________________________ Create NaCl : 16515. / 45201. = 0.36537 Destroy NaCl : 16517. / 44888. = 0.36796 ________________________________________________________________________ Potential at left wall /kT = 0.949922387 Potential at right wall /kT = -0.992071893 ------------------------------------------------------------------------ Potential at left wall /mV = 24.5562909 Potential at right wall /mV = -25.645891 ________________________________________________________________________ Capacitance of left DL = 0.0672570424 Capacitance of right DL = 0.0643995367 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.07227624 Capacitance of right DL [F/m2] = 3.89926012 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11259998 Adsorption of ion 1 on right wall = -3.31129447 Adsorption of ion 2 on left wall = -3.83475166 Adsorption of ion 2 on right wall = 5.92884279 ------------------------------------------------------------------------ net charge in left DL = -8.94735163 10.5052433 net charge in right DL = 9.24013726 -10.5052433 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.486671259 Relative adsorption of ion 1 on right wall = -0.315203977 Relative adsorption of ion 2 on left wall = -0.36503216 Relative adsorption of ion 2 on right wall = 0.56436987 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00633129061 Right electrode charge = -0.00633129061 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99638 Bulk concentration of Na = 0.99606 ________________________________________________________________________ Average electrode charge 1 = 0.00801083528 Average electrode charge 2 = -0.00801083528 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.328160 -0.505938 -0.498365 ________________________________________________________________________ Electrode charge exchange: 0.0781812914 Move Jump Cl: 0.93231 0.37254 Na: 0.93410 0.37325 ________________________________________________________________________ Create NaCl : 22100. / 60062. = 0.36795 Destroy NaCl : 22097. / 59936. = 0.36868 ________________________________________________________________________ Potential at left wall /kT = 0.743102991 Potential at right wall /kT = -0.747563102 ------------------------------------------------------------------------ Potential at left wall /mV = 19.2098359 Potential at right wall /mV = -19.3251335 ________________________________________________________________________ Capacitance of left DL = 0.0593244734 Capacitance of right DL = 0.0589705317 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 5.20566653 Capacitance of right DL [F/m2] = 5.17460848 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.20646761 Adsorption of ion 1 on right wall = -3.28982406 Adsorption of ion 2 on left wall = -3.70178633 Adsorption of ion 2 on right wall = 5.68168033 ------------------------------------------------------------------------ net charge in left DL = -8.90825394 7.2487501 net charge in right DL = 8.97150439 -7.2487501 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.718257291 Relative adsorption of ion 1 on right wall = -0.453847079 Relative adsorption of ion 2 on left wall = -0.51067926 Relative adsorption of ion 2 on right wall = 0.783815176 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00751360892 Right electrode charge = -0.00751360892 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00164 Bulk concentration of Na = 1.00061 ________________________________________________________________________ Average electrode charge 1 = 0.00798257086 Average electrode charge 2 = -0.00798257086 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.337985 -0.505938 -0.508190 ________________________________________________________________________ Electrode charge exchange: 0.0782157323 Move Jump Cl: 0.93253 0.37206 Na: 0.93394 0.37231 ________________________________________________________________________ Create NaCl : 27541. / 75047. = 0.36698 Destroy NaCl : 27541. / 74817. = 0.36811 ________________________________________________________________________ Potential at left wall /kT = 0.808954812 Potential at right wall /kT = -0.802044933 ------------------------------------------------------------------------ Potential at left wall /mV = 20.9121608 Potential at right wall /mV = -20.7335346 ________________________________________________________________________ Capacitance of left DL = 0.0646718041 Capacitance of right DL = 0.0652289728 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.78190662 Capacitance of right DL [F/m2] = 4.82310431 ________________________________________________________________________ Adsorption of ion 1 on left wall = 4.98469362 Adsorption of ion 1 on right wall = -3.65749972 Adsorption of ion 2 on left wall = -3.86015062 Adsorption of ion 2 on right wall = 5.38772272 ------------------------------------------------------------------------ net charge in left DL = -8.84484423 8.60239668 net charge in right DL = 9.04522243 -8.60239668 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.579454052 Relative adsorption of ion 1 on right wall = -0.425172176 Relative adsorption of ion 2 on left wall = -0.448729669 Relative adsorption of ion 2 on right wall = 0.626304845 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0112543822 Right electrode charge = -0.0112543822 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99898 ________________________________________________________________________ Average electrode charge 1 = 0.00790156284 Average electrode charge 2 = -0.00790156284 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.334449 -0.505938 -0.504654 ________________________________________________________________________ Electrode charge exchange: 0.0782122684 Move Jump Cl: 0.93274 0.37192 Na: 0.93319 0.37195 ________________________________________________________________________ Create NaCl : 32954. / 89937. = 0.36641 Destroy NaCl : 32958. / 89783. = 0.36709 ________________________________________________________________________ Potential at left wall /kT = 0.804678024 Potential at right wall /kT = -0.793668822 ------------------------------------------------------------------------ Potential at left wall /mV = 20.8016022 Potential at right wall /mV = -20.5170051 ________________________________________________________________________ Capacitance of left DL = 0.0973845748 Capacitance of right DL = 0.0987354234 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.80732201 Capacitance of right DL [F/m2] = 4.87400571 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.29754064 Adsorption of ion 1 on right wall = -3.63134269 Adsorption of ion 2 on left wall = -3.48130659 Adsorption of ion 2 on right wall = 5.2946323 ------------------------------------------------------------------------ net charge in left DL = -8.77884724 12.8852408 net charge in right DL = 8.92597498 -12.8852408 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.411132452 Relative adsorption of ion 1 on right wall = -0.281821872 Relative adsorption of ion 2 on left wall = -0.270177845 Relative adsorption of ion 2 on right wall = 0.41090674 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00886987582 Right electrode charge = -0.00886987582 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.00309 Bulk concentration of Na = 1.00181 ________________________________________________________________________ Average electrode charge 1 = 0.00788586919 Average electrode charge 2 = -0.00788586919 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.340628 -0.505938 -0.510833 ________________________________________________________________________ Electrode charge exchange: 0.0781951638 Move Jump Cl: 0.93258 0.37016 Na: 0.93351 0.37046 ________________________________________________________________________ Create NaCl : 38360. / 105073. = 0.36508 Destroy NaCl : 38349. / 104669. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 0.853703372 Potential at right wall /kT = -0.836945916 ------------------------------------------------------------------------ Potential at left wall /mV = 22.0689486 Potential at right wall /mV = -21.6357543 ________________________________________________________________________ Capacitance of left DL = 0.0723437798 Capacitance of right DL = 0.0737922577 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.53125348 Capacitance of right DL [F/m2] = 4.62197891 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.22104786 Adsorption of ion 1 on right wall = -3.49113309 Adsorption of ion 2 on left wall = -3.52493906 Adsorption of ion 2 on right wall = 5.50393237 ------------------------------------------------------------------------ net charge in left DL = -8.74598692 10.1551985 net charge in right DL = 8.99506546 -10.1551985 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.514125631 Relative adsorption of ion 1 on right wall = -0.343777926 Relative adsorption of ion 2 on left wall = -0.347106858 Relative adsorption of ion 2 on right wall = 0.541981759 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101734335 Right electrode charge = -0.0101734335 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00376 Bulk concentration of Na = 1.00308 ________________________________________________________________________ Average electrode charge 1 = 0.00797348174 Average electrode charge 2 = -0.00797348174 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.342562 -0.505938 -0.512767 ________________________________________________________________________ Electrode charge exchange: 0.078182605 Move Jump Cl: 0.93295 0.37042 Na: 0.93293 0.37052 ________________________________________________________________________ Create NaCl : 43810. / 119897. = 0.36540 Destroy NaCl : 43820. / 119662. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.00871033 Potential at right wall /kT = -0.971700874 ------------------------------------------------------------------------ Potential at left wall /mV = 26.0760085 Potential at right wall /mV = -25.119283 ________________________________________________________________________ Capacitance of left DL = 0.070224998 Capacitance of right DL = 0.072899678 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.83494276 Capacitance of right DL [F/m2] = 3.98100534 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24387901 Adsorption of ion 1 on right wall = -3.67645849 Adsorption of ion 2 on left wall = -3.74557355 Adsorption of ion 2 on right wall = 5.44550145 ------------------------------------------------------------------------ net charge in left DL = -8.98945256 11.6476532 net charge in right DL = 9.12195994 -11.6476532 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.450209063 Relative adsorption of ion 1 on right wall = -0.31563942 Relative adsorption of ion 2 on left wall = -0.321573239 Relative adsorption of ion 2 on right wall = 0.467519197 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00801209797 Right electrode charge = -0.00801209797 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00478 Bulk concentration of Na = 1.00379 ________________________________________________________________________ Average electrode charge 1 = 0.00801013706 Average electrode charge 2 = -0.00801013706 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.344292 -0.505938 -0.514496 ________________________________________________________________________ Electrode charge exchange: 0.0782648733 Move Jump Cl: 0.93305 0.37084 Na: 0.93272 0.36999 ________________________________________________________________________ Create NaCl : 49387. / 134942. = 0.36599 Destroy NaCl : 49399. / 134787. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.04621247 Potential at right wall /kT = -1.00737247 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0454704 Potential at right wall /mV = -26.0414238 ________________________________________________________________________ Capacitance of left DL = 0.053323299 Capacitance of right DL = 0.0553792187 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.69747683 Capacitance of right DL [F/m2] = 3.84003581 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.2303705 Adsorption of ion 1 on right wall = -3.66881468 Adsorption of ion 2 on left wall = -3.79357065 Adsorption of ion 2 on right wall = 5.54789231 ------------------------------------------------------------------------ net charge in left DL = -9.02394115 9.17312116 net charge in right DL = 9.216707 -9.17312116 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.570184391 Relative adsorption of ion 1 on right wall = -0.399952712 Relative adsorption of ion 2 on left wall = -0.413552877 Relative adsorption of ion 2 on right wall = 0.604798761 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00762105824 Right electrode charge = -0.00762105824 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00415 Bulk concentration of Na = 1.00334 ________________________________________________________________________ Average electrode charge 1 = 0.00805070767 Average electrode charge 2 = -0.00805070767 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.343209 -0.505938 -0.513413 ________________________________________________________________________ Electrode charge exchange: 0.0782743904 Move Jump Cl: 0.93338 0.37080 Na: 0.93295 0.36977 ________________________________________________________________________ Create NaCl : 54795. / 149946. = 0.36543 Destroy NaCl : 54797. / 149758. = 0.36590 ________________________________________________________________________ Potential at left wall /kT = 1.03303085 Potential at right wall /kT = -0.995960738 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7047144 Potential at right wall /mV = -25.7464209 ________________________________________________________________________ Capacitance of left DL = 0.0513679982 Capacitance of right DL = 0.0532799385 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.74465716 Capacitance of right DL [F/m2] = 3.88403501 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.42597809 Adsorption of ion 1 on right wall = -3.94583024 Adsorption of ion 2 on left wall = -3.6522059 Adsorption of ion 2 on right wall = 5.28899244 ------------------------------------------------------------------------ net charge in left DL = -9.07818399 8.72541635 net charge in right DL = 9.23482268 -8.72541635 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.621858932 Relative adsorption of ion 1 on right wall = -0.452222574 Relative adsorption of ion 2 on left wall = -0.41857096 Relative adsorption of ion 2 on right wall = 0.606159319 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00846446522 Right electrode charge = -0.00846446522 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00347 Bulk concentration of Na = 1.00202 ________________________________________________________________________ Average electrode charge 1 = 0.00801584221 Average electrode charge 2 = -0.00801584221 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.341215 -0.505938 -0.511420 ________________________________________________________________________ Electrode charge exchange: 0.0782829566 Move Jump Cl: 0.93359 0.37061 Na: 0.93366 0.36990 ________________________________________________________________________ Create NaCl : 60276. / 164832. = 0.36568 Destroy NaCl : 60290. / 164870. = 0.36568 ________________________________________________________________________ Potential at left wall /kT = 1.0125509 Potential at right wall /kT = -0.975982363 ------------------------------------------------------------------------ Potential at left wall /mV = 26.1752906 Potential at right wall /mV = -25.2299631 ________________________________________________________________________ Capacitance of left DL = 0.0582067449 Capacitance of right DL = 0.060387661 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.82039694 Capacitance of right DL [F/m2] = 3.96354127 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.23765235 Adsorption of ion 1 on right wall = -3.94234614 Adsorption of ion 2 on left wall = -3.72896731 Adsorption of ion 2 on right wall = 5.30660694 ------------------------------------------------------------------------ net charge in left DL = -8.96661966 9.6910404 net charge in right DL = 9.24895307 -9.6910404 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.54046337 Relative adsorption of ion 1 on right wall = -0.406803189 Relative adsorption of ion 2 on left wall = -0.384785034 Relative adsorption of ion 2 on right wall = 0.547578662 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00798932529 Right electrode charge = -0.00798932529 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00482 Bulk concentration of Na = 1.00436 ________________________________________________________________________ Average electrode charge 1 = 0.0080077005 Average electrode charge 2 = -0.0080077005 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.344898 -0.505938 -0.515102 ________________________________________________________________________ Electrode charge exchange: 0.0782818449 Move Jump Cl: 0.93347 0.37011 Na: 0.93365 0.36995 ________________________________________________________________________ Create NaCl : 65721. / 179962. = 0.36519 Destroy NaCl : 65740. / 179677. = 0.36588 ________________________________________________________________________ Potential at left wall /kT = 1.03671108 Potential at right wall /kT = -1.00590165 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7998514 Potential at right wall /mV = -26.0034019 ________________________________________________________________________ Capacitance of left DL = 0.0536590547 Capacitance of right DL = 0.05530256 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.73136397 Capacitance of right DL [F/m2] = 3.84565068 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.3302826 Adsorption of ion 1 on right wall = -3.9576924 Adsorption of ion 2 on left wall = -3.7388953 Adsorption of ion 2 on right wall = 5.20109637 ------------------------------------------------------------------------ net charge in left DL = -9.06917789 9.14704853 net charge in right DL = 9.15878877 -9.14704853 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.582732515 Relative adsorption of ion 1 on right wall = -0.432674255 Relative adsorption of ion 2 on left wall = -0.408754287 Relative adsorption of ion 2 on right wall = 0.568609246 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00910131253 Right electrode charge = -0.00910131253 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00248 Bulk concentration of Na = 1.00293 ________________________________________________________________________ Average electrode charge 1 = 0.00798486535 Average electrode charge 2 = -0.00798486535 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.341142 -0.505938 -0.511346 ________________________________________________________________________ Electrode charge exchange: 0.0782619465 Move Jump Cl: 0.93329 0.37045 Na: 0.93357 0.36975 ________________________________________________________________________ Create NaCl : 71270. / 195131. = 0.36524 Destroy NaCl : 71278. / 194737. = 0.36602 ________________________________________________________________________ Potential at left wall /kT = 1.01886077 Potential at right wall /kT = -0.989800196 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3384059 Potential at right wall /mV = -25.5871657 ________________________________________________________________________ Capacitance of left DL = 0.0621984898 Capacitance of right DL = 0.06402464 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.79673699 Capacitance of right DL [F/m2] = 3.90820934 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.48504367 Adsorption of ion 1 on right wall = -3.6688948 Adsorption of ion 2 on left wall = -3.63708884 Adsorption of ion 2 on right wall = 5.36599064 ------------------------------------------------------------------------ net charge in left DL = -9.12213251 10.4201725 net charge in right DL = 9.03488544 -10.4201725 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.526387033 Relative adsorption of ion 1 on right wall = -0.352095401 Relative adsorption of ion 2 on left wall = -0.349043057 Relative adsorption of ion 2 on right wall = 0.514961788 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00723481828 Right electrode charge = -0.00723481828 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00156 Bulk concentration of Na = 1.00199 ________________________________________________________________________ Average electrode charge 1 = 0.00796760909 Average electrode charge 2 = -0.00796760909 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.339273 -0.505938 -0.509478 ________________________________________________________________________ Electrode charge exchange: 0.0782288217 Move Jump Cl: 0.93354 0.37023 Na: 0.93376 0.36979 ________________________________________________________________________ Create NaCl : 76811. / 210070. = 0.36564 Destroy NaCl : 76831. / 209590. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.03902705 Potential at right wall /kT = -1.01930701 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8597213 Potential at right wall /mV = -26.3499416 ________________________________________________________________________ Capacitance of left DL = 0.0484832165 Capacitance of right DL = 0.0494211981 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.72304682 Capacitance of right DL [F/m2] = 3.79507483 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.52915747 Adsorption of ion 1 on right wall = -3.60160324 Adsorption of ion 2 on left wall = -3.58843179 Adsorption of ion 2 on right wall = 5.43188368 ------------------------------------------------------------------------ net charge in left DL = -9.11758926 8.28320684 net charge in right DL = 9.03348693 -8.28320684 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.667514113 Relative adsorption of ion 1 on right wall = -0.434807836 Relative adsorption of ion 2 on left wall = -0.433217697 Relative adsorption of ion 2 on right wall = 0.65577062 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00685229207 Right electrode charge = -0.00685229207 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 222 -1.00 3.0000 1.5000 Na ion: 222 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00139 Bulk concentration of Na = 1.00275 ________________________________________________________________________ Average electrode charge 1 = 0.00797680503 Average electrode charge 2 = -0.00797680503 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.339874 -0.505938 -0.510078 ________________________________________________________________________ Electrode charge exchange: 0.0782302613 Move Jump Cl: 0.93330 0.37023 Na: 0.93356 0.37034 ________________________________________________________________________ Create NaCl : 82378. / 225111. = 0.36594 Destroy NaCl : 82356. / 224577. = 0.36672 ________________________________________________________________________ Potential at left wall /kT = 1.04960621 Potential at right wall /kT = -1.02810577 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1332013 Potential at right wall /mV = -26.5773969 ________________________________________________________________________ Capacitance of left DL = 0.0454569327 Capacitance of right DL = 0.0464075586 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.68552162 Capacitance of right DL [F/m2] = 3.76259572 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.61404371 Adsorption of ion 1 on right wall = -3.68844073 Adsorption of ion 2 on left wall = -3.60832725 Adsorption of ion 2 on right wall = 5.26921053 ------------------------------------------------------------------------ net charge in left DL = -9.22237096 7.84524923 net charge in right DL = 8.95765126 -7.84524923 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.71559788 Relative adsorption of ion 1 on right wall = -0.470149593 Relative adsorption of ion 2 on left wall = -0.459937874 Relative adsorption of ion 2 on right wall = 0.671643484 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00740152875 Right electrode charge = -0.00740152875 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00150 Bulk concentration of Na = 1.00304 ________________________________________________________________________ Average electrode charge 1 = 0.00798645523 Average electrode charge 2 = -0.00798645523 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.340269 -0.505938 -0.510474 ________________________________________________________________________ Electrode charge exchange: 0.0782085038 Move Jump Cl: 0.93298 0.37012 Na: 0.93343 0.37085 ________________________________________________________________________ Create NaCl : 87983. / 240306. = 0.36613 Destroy NaCl : 87984. / 239780. = 0.36694 ________________________________________________________________________ Potential at left wall /kT = 1.05672325 Potential at right wall /kT = -1.04458972 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3171828 Potential at right wall /mV = -27.0035208 ________________________________________________________________________ Capacitance of left DL = 0.0487697826 Capacitance of right DL = 0.0493362728 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.66069959 Capacitance of right DL [F/m2] = 3.70322081 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.56129055 Adsorption of ion 1 on right wall = -3.71195112 Adsorption of ion 2 on left wall = -3.69792118 Adsorption of ion 2 on right wall = 5.24654132 ------------------------------------------------------------------------ net charge in left DL = -9.25921173 8.47407511 net charge in right DL = 8.95849244 -8.47407511 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.656271095 Relative adsorption of ion 1 on right wall = -0.438036136 Relative adsorption of ion 2 on left wall = -0.436380505 Relative adsorption of ion 2 on right wall = 0.619128489 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.008346142 Right electrode charge = -0.008346142 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00012 Bulk concentration of Na = 1.00167 ________________________________________________________________________ Average electrode charge 1 = 0.00797435227 Average electrode charge 2 = -0.00797435227 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.337518 -0.505938 -0.507723 ________________________________________________________________________ Electrode charge exchange: 0.0782420797 Move Jump Cl: 0.93308 0.37021 Na: 0.93351 0.37098 ________________________________________________________________________ Create NaCl : 93467. / 255353. = 0.36603 Destroy NaCl : 93471. / 254817. = 0.36682 ________________________________________________________________________ Potential at left wall /kT = 1.10359673 Potential at right wall /kT = -1.10310034 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5289016 Potential at right wall /mV = -28.5160696 ________________________________________________________________________ Capacitance of left DL = 0.052658201 Capacitance of right DL = 0.0526818967 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.50521732 Capacitance of right DL [F/m2] = 3.50679464 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.68580555 Adsorption of ion 1 on right wall = -3.73513562 Adsorption of ion 2 on left wall = -3.59161403 Adsorption of ion 2 on right wall = 5.2403644 ------------------------------------------------------------------------ net charge in left DL = -9.27741958 9.55557111 net charge in right DL = 8.97550003 -9.55557111 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.595025194 Relative adsorption of ion 1 on right wall = -0.39088565 Relative adsorption of ion 2 on left wall = -0.375865973 Relative adsorption of ion 2 on right wall = 0.548409336 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00889828381 Right electrode charge = -0.00889828381 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00030 Bulk concentration of Na = 1.00144 ________________________________________________________________________ Average electrode charge 1 = 0.00795861027 Average electrode charge 2 = -0.00795861027 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.337473 -0.505938 -0.507677 ________________________________________________________________________ Electrode charge exchange: 0.0782446062 Move Jump Cl: 0.93304 0.37013 Na: 0.93368 0.37059 ________________________________________________________________________ Create NaCl : 98940. / 270381. = 0.36593 Destroy NaCl : 98936. / 269648. = 0.36691 ________________________________________________________________________ Potential at left wall /kT = 1.07281907 Potential at right wall /kT = -1.06811624 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7332734 Potential at right wall /mV = -27.6117012 ________________________________________________________________________ Capacitance of left DL = 0.057752451 Capacitance of right DL = 0.0580067306 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.60577703 Capacitance of right DL [F/m2] = 3.62165299 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.66158159 Adsorption of ion 1 on right wall = -3.69184896 Adsorption of ion 2 on left wall = -3.53848144 Adsorption of ion 2 on right wall = 5.284988 ------------------------------------------------------------------------ net charge in left DL = -9.20006304 10.1877231 net charge in right DL = 8.97683696 -10.1877231 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5557259 Relative adsorption of ion 1 on right wall = -0.362382146 Relative adsorption of ion 2 on left wall = -0.347327995 Relative adsorption of ion 2 on right wall = 0.518760468 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.006623683 Right electrode charge = -0.006623683 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00045 Bulk concentration of Na = 1.00148 ________________________________________________________________________ Average electrode charge 1 = 0.00795122635 Average electrode charge 2 = -0.00795122635 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.337669 -0.505938 -0.507874 ________________________________________________________________________ Electrode charge exchange: 0.0782264474 Move Jump Cl: 0.93296 0.37003 Na: 0.93340 0.37020 ________________________________________________________________________ Create NaCl : 104395. / 285359. = 0.36584 Destroy NaCl : 104404. / 284611. = 0.36683 ________________________________________________________________________ Potential at left wall /kT = 1.03348893 Potential at right wall /kT = -1.02748199 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7165562 Potential at right wall /mV = -26.5612717 ________________________________________________________________________ Capacitance of left DL = 0.0446256302 Capacitance of right DL = 0.0448865239 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.74299739 Capacitance of right DL [F/m2] = 3.76487997 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.51651065 Adsorption of ion 1 on right wall = -3.65134286 Adsorption of ion 2 on left wall = -3.64118289 Adsorption of ion 2 on right wall = 5.30547589 ------------------------------------------------------------------------ net charge in left DL = -9.15769354 7.58351271 net charge in right DL = 8.95681874 -7.58351271 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.727434748 Relative adsorption of ion 1 on right wall = -0.481484372 Relative adsorption of ion 2 on left wall = -0.480144628 Relative adsorption of ion 2 on right wall = 0.699606645 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00599707037 Right electrode charge = -0.00599707037 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00029 Bulk concentration of Na = 1.00132 ________________________________________________________________________ Average electrode charge 1 = 0.00794165521 Average electrode charge 2 = -0.00794165521 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.337338 -0.505938 -0.507542 ________________________________________________________________________ Electrode charge exchange: 0.0782597639 Move Jump Cl: 0.93308 0.36993 Na: 0.93343 0.37003 ________________________________________________________________________ Create NaCl : 109815. / 300382. = 0.36558 Destroy NaCl : 109825. / 299443. = 0.36676 ________________________________________________________________________ Potential at left wall /kT = 1.04529204 Potential at right wall /kT = -1.04000122 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0216764 Potential at right wall /mV = -26.8849042 ________________________________________________________________________ Capacitance of left DL = 0.0399477346 Capacitance of right DL = 0.0401509616 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.70073265 Capacitance of right DL [F/m2] = 3.71955947 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.47796664 Adsorption of ion 1 on right wall = -3.5458392 Adsorption of ion 2 on left wall = -3.67762708 Adsorption of ion 2 on right wall = 5.40869542 ------------------------------------------------------------------------ net charge in left DL = -9.15559372 6.86609842 net charge in right DL = 8.95453462 -6.86609842 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.797828156 Relative adsorption of ion 1 on right wall = -0.516427086 Relative adsorption of ion 2 on left wall = -0.535621084 Relative adsorption of ion 2 on right wall = 0.78773928 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00608247857 Right electrode charge = -0.00608247857 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00140 Bulk concentration of Na = 1.00289 ________________________________________________________________________ Average electrode charge 1 = 0.00792881971 Average electrode charge 2 = -0.00792881971 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.340020 -0.505938 -0.510225 ________________________________________________________________________ Electrode charge exchange: 0.0782579454 Move Jump Cl: 0.93304 0.37007 Na: 0.93342 0.37006 ________________________________________________________________________ Create NaCl : 115276. / 315476. = 0.36540 Destroy NaCl : 115272. / 314401. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.03601959 Potential at right wall /kT = -1.03351442 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7819758 Potential at right wall /mV = -26.717215 ________________________________________________________________________ Capacitance of left DL = 0.0408792833 Capacitance of right DL = 0.0409783721 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.73385447 Capacitance of right DL [F/m2] = 3.74290509 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.43519156 Adsorption of ion 1 on right wall = -3.594864 Adsorption of ion 2 on left wall = -3.74591723 Adsorption of ion 2 on right wall = 5.29499388 ------------------------------------------------------------------------ net charge in left DL = -9.18110878 6.96388301 net charge in right DL = 8.88985788 -6.96388301 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.780482893 Relative adsorption of ion 1 on right wall = -0.51621545 Relative adsorption of ion 2 on left wall = -0.537906398 Relative adsorption of ion 2 on right wall = 0.76035078 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100207907 Right electrode charge = -0.0100207907 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00180 Bulk concentration of Na = 1.00342 ________________________________________________________________________ Average electrode charge 1 = 0.00790170826 Average electrode charge 2 = -0.00790170826 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.340947 -0.505938 -0.511151 ________________________________________________________________________ Electrode charge exchange: 0.0782530862 Move Jump Cl: 0.93324 0.36993 Na: 0.93355 0.37000 ________________________________________________________________________ Create NaCl : 120810. / 330431. = 0.36561 Destroy NaCl : 120813. / 329528. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.05052881 Potential at right wall /kT = -1.04949118 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1570515 Potential at right wall /mV = -27.1302278 ________________________________________________________________________ Capacitance of left DL = 0.0664178288 Capacitance of right DL = 0.0664834961 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.68228488 Capacitance of right DL [F/m2] = 3.68592555 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.35385613 Adsorption of ion 1 on right wall = -3.64495751 Adsorption of ion 2 on left wall = -3.81926667 Adsorption of ion 2 on right wall = 5.21353939 ------------------------------------------------------------------------ net charge in left DL = -9.1731228 11.4728911 net charge in right DL = 8.8584969 -11.4728911 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.466652747 Relative adsorption of ion 1 on right wall = -0.317701745 Relative adsorption of ion 2 on left wall = -0.332894878 Relative adsorption of ion 2 on right wall = 0.454422461 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0069908437 Right electrode charge = -0.0069908437 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00127 Bulk concentration of Na = 1.00292 ________________________________________________________________________ Average electrode charge 1 = 0.00791968283 Average electrode charge 2 = -0.00791968283 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.339920 -0.505938 -0.510124 ________________________________________________________________________ Electrode charge exchange: 0.0782687309 Move Jump Cl: 0.93332 0.36988 Na: 0.93344 0.36992 ________________________________________________________________________ Create NaCl : 126332. / 345403. = 0.36575 Destroy NaCl : 126335. / 344438. = 0.36679 ________________________________________________________________________ Potential at left wall /kT = 1.03565758 Potential at right wall /kT = -1.04133405 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7726177 Potential at right wall /mV = -26.919359 ________________________________________________________________________ Capacitance of left DL = 0.0470006707 Capacitance of right DL = 0.0467444631 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.7351596 Capacitance of right DL [F/m2] = 3.7147987 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.45831154 Adsorption of ion 1 on right wall = -3.64329426 Adsorption of ion 2 on left wall = -3.73028387 Adsorption of ion 2 on right wall = 5.22351468 ------------------------------------------------------------------------ net charge in left DL = -9.18859541 8.0038782 net charge in right DL = 8.86680894 -8.0038782 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.681958346 Relative adsorption of ion 1 on right wall = -0.455191117 Relative adsorption of ion 2 on left wall = -0.466059549 Relative adsorption of ion 2 on right wall = 0.65262296 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00549204845 Right electrode charge = -0.00549204845 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00055 Bulk concentration of Na = 1.00198 ________________________________________________________________________ Average electrode charge 1 = 0.00791215071 Average electrode charge 2 = -0.00791215071 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.338254 -0.505938 -0.508459 ________________________________________________________________________ Electrode charge exchange: 0.0782894425 Move Jump Cl: 0.93343 0.36994 Na: 0.93352 0.37037 ________________________________________________________________________ Create NaCl : 131826. / 360217. = 0.36596 Destroy NaCl : 131836. / 359630. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.03819191 Potential at right wall /kT = -1.04366027 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8381322 Potential at right wall /mV = -26.9794937 ________________________________________________________________________ Capacitance of left DL = 0.0368338717 Capacitance of right DL = 0.0366408773 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.72604171 Capacitance of right DL [F/m2] = 3.70651878 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.48451275 Adsorption of ion 1 on right wall = -3.72939489 Adsorption of ion 2 on left wall = -3.67597991 Adsorption of ion 2 on right wall = 5.1527069 ------------------------------------------------------------------------ net charge in left DL = -9.16049266 6.28789439 net charge in right DL = 8.88210179 -6.28789439 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.872233598 Relative adsorption of ion 1 on right wall = -0.593107113 Relative adsorption of ion 2 on left wall = -0.584612222 Relative adsorption of ion 2 on right wall = 0.819464605 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0114857672 Right electrode charge = -0.0114857672 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00167 Bulk concentration of Na = 1.00305 ________________________________________________________________________ Average electrode charge 1 = 0.00792987963 Average electrode charge 2 = -0.00792987963 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.340450 -0.505938 -0.510655 ________________________________________________________________________ Electrode charge exchange: 0.0782971556 Move Jump Cl: 0.93364 0.36996 Na: 0.93340 0.37013 ________________________________________________________________________ Create NaCl : 137292. / 375075. = 0.36604 Destroy NaCl : 137295. / 374675. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.05045771 Potential at right wall /kT = -1.0503758 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1552133 Potential at right wall /mV = -27.1530959 ________________________________________________________________________ Capacitance of left DL = 0.0761328505 Capacitance of right DL = 0.0761387873 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.68253414 Capacitance of right DL [F/m2] = 3.6828213 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.34030177 Adsorption of ion 1 on right wall = -3.77375823 Adsorption of ion 2 on left wall = -3.8403222 Adsorption of ion 2 on right wall = 5.1374498 ------------------------------------------------------------------------ net charge in left DL = -9.18062397 13.1501555 net charge in right DL = 8.91120803 -13.1501555 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.406101796 Relative adsorption of ion 1 on right wall = -0.286974418 Relative adsorption of ion 2 on left wall = -0.292036257 Relative adsorption of ion 2 on right wall = 0.390675972 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00564505623 Right electrode charge = -0.00564505623 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00084 Bulk concentration of Na = 1.00234 ________________________________________________________________________ Average electrode charge 1 = 0.00795231472 Average electrode charge 2 = -0.00795231472 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.338907 -0.505938 -0.509111 ________________________________________________________________________ Electrode charge exchange: 0.0782598986 Move Jump Cl: 0.93359 0.36973 Na: 0.93334 0.36999 ________________________________________________________________________ Create NaCl : 142960. / 390072. = 0.36650 Destroy NaCl : 142972. / 389749. = 0.36683 ________________________________________________________________________ Potential at left wall /kT = 1.05176345 Potential at right wall /kT = -1.05569128 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1889679 Potential at right wall /mV = -27.2905054 ________________________________________________________________________ Capacitance of left DL = 0.0373715275 Capacitance of right DL = 0.0372324823 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.67796234 Capacitance of right DL [F/m2] = 3.66427805 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.36780055 Adsorption of ion 1 on right wall = -3.70499817 Adsorption of ion 2 on left wall = -3.84944508 Adsorption of ion 2 on right wall = 5.22135363 ------------------------------------------------------------------------ net charge in left DL = -9.21724563 6.46307434 net charge in right DL = 8.9263518 -6.46307434 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.830533623 Relative adsorption of ion 1 on right wall = -0.573256314 Relative adsorption of ion 2 on left wall = -0.595605881 Relative adsorption of ion 2 on right wall = 0.807874606 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00738090571 Right electrode charge = -0.00738090571 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00092 Bulk concentration of Na = 1.00238 ________________________________________________________________________ Average electrode charge 1 = 0.00796763768 Average electrode charge 2 = -0.00796763768 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.339028 -0.505938 -0.509232 ________________________________________________________________________ Electrode charge exchange: 0.0782165141 Move Jump Cl: 0.93370 0.36987 Na: 0.93340 0.36989 ________________________________________________________________________ Create NaCl : 148498. / 405174. = 0.36650 Destroy NaCl : 148513. / 404914. = 0.36678 ________________________________________________________________________ Potential at left wall /kT = 1.08155427 Potential at right wall /kT = -1.08481197 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9590856 Potential at right wall /mV = -28.0432997 ________________________________________________________________________ Capacitance of left DL = 0.0475173259 Capacitance of right DL = 0.0473746313 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.57665488 Capacitance of right DL [F/m2] = 3.56591418 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.40821042 Adsorption of ion 1 on right wall = -3.72143897 Adsorption of ion 2 on left wall = -3.8411099 Adsorption of ion 2 on right wall = 5.24330492 ------------------------------------------------------------------------ net charge in left DL = -9.24932032 8.45046361 net charge in right DL = 8.96474388 -8.45046361 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.639989788 Relative adsorption of ion 1 on right wall = -0.440382816 Relative adsorption of ion 2 on left wall = -0.45454428 Relative adsorption of ion 2 on right wall = 0.620475415 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0112104765 Right electrode charge = -0.0112104765 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00078 Bulk concentration of Na = 1.00225 ________________________________________________________________________ Average electrode charge 1 = 0.00797742635 Average electrode charge 2 = -0.00797742635 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.338760 -0.505938 -0.508964 ________________________________________________________________________ Electrode charge exchange: 0.0782093767 Move Jump Cl: 0.93369 0.36963 Na: 0.93349 0.36987 ________________________________________________________________________ Create NaCl : 153918. / 420095. = 0.36639 Destroy NaCl : 153940. / 419900. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.11059292 Potential at right wall /kT = -1.11013161 ------------------------------------------------------------------------ Potential at left wall /mV = 28.7097589 Potential at right wall /mV = -28.6978338 ________________________________________________________________________ Capacitance of left DL = 0.0702845433 Capacitance of right DL = 0.0703137494 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.48313618 Capacitance of right DL [F/m2] = 3.48458356 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.47233911 Adsorption of ion 1 on right wall = -3.78445255 Adsorption of ion 2 on left wall = -3.80316204 Adsorption of ion 2 on right wall = 5.20653796 ------------------------------------------------------------------------ net charge in left DL = -9.27550115 12.8349728 net charge in right DL = 8.99099051 -12.8349728 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.426361566 Relative adsorption of ion 1 on right wall = -0.294854739 Relative adsorption of ion 2 on left wall = -0.296312434 Relative adsorption of ion 2 on right wall = 0.405652434 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00620611373 Right electrode charge = -0.00620611373 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 183 -1.00 3.0000 1.5000 Na ion: 183 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00038 Bulk concentration of Na = 1.00175 ________________________________________________________________________ Average electrode charge 1 = 0.00799240259 Average electrode charge 2 = -0.00799240259 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.337862 -0.505938 -0.508066 ________________________________________________________________________ Electrode charge exchange: 0.0782114297 Move Jump Cl: 0.93368 0.36965 Na: 0.93348 0.36991 ________________________________________________________________________ Create NaCl : 159445. / 435187. = 0.36638 Destroy NaCl : 159462. / 434947. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.10319095 Potential at right wall /kT = -1.10506435 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5184118 Potential at right wall /mV = -28.5668407 ________________________________________________________________________ Capacitance of left DL = 0.039170552 Capacitance of right DL = 0.0391041469 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.50650662 Capacitance of right DL [F/m2] = 3.5005621 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.49043715 Adsorption of ion 1 on right wall = -3.73926917 Adsorption of ion 2 on left wall = -3.78779303 Adsorption of ion 2 on right wall = 5.27288801 ------------------------------------------------------------------------ net charge in left DL = -9.27823018 7.10543399 net charge in right DL = 9.01215718 -7.10543399 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.772709614 Relative adsorption of ion 1 on right wall = -0.526254861 Relative adsorption of ion 2 on left wall = -0.53308398 Relative adsorption of ion 2 on right wall = 0.742092322 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.008241767 Right electrode charge = -0.008241767 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00107 Bulk concentration of Na = 1.00247 ________________________________________________________________________ Average electrode charge 1 = 0.00798611211 Average electrode charge 2 = -0.00798611211 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.339267 -0.505938 -0.509472 ________________________________________________________________________ Electrode charge exchange: 0.0782103818 Move Jump Cl: 0.93367 0.36978 Na: 0.93359 0.36994 ________________________________________________________________________ Create NaCl : 164968. / 450195. = 0.36644 Destroy NaCl : 164988. / 449933. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.1050884 Potential at right wall /kT = -1.10570484 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5674625 Potential at right wall /mV = -28.5833979 ________________________________________________________________________ Capacitance of left DL = 0.051929479 Capacitance of right DL = 0.051900528 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.50048591 Capacitance of right DL [F/m2] = 3.49853437 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.40230776 Adsorption of ion 1 on right wall = -3.7689778 Adsorption of ion 2 on left wall = -3.87222014 Adsorption of ion 2 on right wall = 5.2324143 ------------------------------------------------------------------------ net charge in left DL = -9.2745279 9.43607125 net charge in right DL = 9.0013921 -9.43607125 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.572516635 Relative adsorption of ion 1 on right wall = -0.399422355 Relative adsorption of ion 2 on left wall = -0.410363598 Relative adsorption of ion 2 on right wall = 0.554511953 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00752066106 Right electrode charge = -0.00752066106 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00083 Bulk concentration of Na = 1.00221 ________________________________________________________________________ Average electrode charge 1 = 0.00797496614 Average electrode charge 2 = -0.00797496614 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.338764 -0.505938 -0.508969 ________________________________________________________________________ Electrode charge exchange: 0.0782115147 Move Jump Cl: 0.93353 0.36980 Na: 0.93361 0.36977 ________________________________________________________________________ Create NaCl : 170461. / 465245. = 0.36639 Destroy NaCl : 170460. / 465005. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.07940463 Potential at right wall /kT = -1.08046435 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9035155 Potential at right wall /mV = -27.9309101 ________________________________________________________________________ Capacitance of left DL = 0.048513476 Capacitance of right DL = 0.0484658941 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.58377783 Capacitance of right DL [F/m2] = 3.58026286 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.38842365 Adsorption of ion 1 on right wall = -3.70840753 Adsorption of ion 2 on left wall = -3.85487924 Adsorption of ion 2 on right wall = 5.26620678 ------------------------------------------------------------------------ net charge in left DL = -9.24330289 8.61047074 net charge in right DL = 8.97461432 -8.61047074 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.625798961 Relative adsorption of ion 1 on right wall = -0.430685806 Relative adsorption of ion 2 on left wall = -0.447696688 Relative adsorption of ion 2 on right wall = 0.61160498 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0125745946 Right electrode charge = -0.0125745946 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.00053 Bulk concentration of Na = 1.00196 ________________________________________________________________________ Average electrode charge 1 = 0.00798484067 Average electrode charge 2 = -0.00798484067 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.338221 -0.505938 -0.508425 ________________________________________________________________________ Electrode charge exchange: 0.0782141563 Move Jump Cl: 0.93347 0.36974 Na: 0.93365 0.36978 ________________________________________________________________________ Create NaCl : 175945. / 480277. = 0.36634 Destroy NaCl : 175934. / 480063. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.06113999 Potential at right wall /kT = -1.05928192 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4313593 Potential at right wall /mV = -27.3833266 ________________________________________________________________________ Capacitance of left DL = 0.0825110211 Capacitance of right DL = 0.0826557524 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.6454628 Capacitance of right DL [F/m2] = 3.65185726 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.4432213 Adsorption of ion 1 on right wall = -3.71664641 Adsorption of ion 2 on left wall = -3.80435459 Adsorption of ion 2 on right wall = 5.25253083 ------------------------------------------------------------------------ net charge in left DL = -9.24757588 14.3967635 net charge in right DL = 8.96917724 -14.3967635 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.378086457 Relative adsorption of ion 1 on right wall = -0.258158468 Relative adsorption of ion 2 on left wall = -0.264250683 Relative adsorption of ion 2 on right wall = 0.364841086 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00687491303 Right electrode charge = -0.00687491303 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00033 Bulk concentration of Na = 1.00162 ________________________________________________________________________ Average electrode charge 1 = 0.00800036369 Average electrode charge 2 = -0.00800036369 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.337675 -0.505938 -0.507879 ________________________________________________________________________ Electrode charge exchange: 0.0782472477 Move Jump Cl: 0.93348 0.36972 Na: 0.93352 0.36993 ________________________________________________________________________ Create NaCl : 181408. / 495203. = 0.36633 Destroy NaCl : 181424. / 495116. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.05522281 Potential at right wall /kT = -1.05682717 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2783951 Potential at right wall /mV = -27.3198691 ________________________________________________________________________ Capacitance of left DL = 0.0453642456 Capacitance of right DL = 0.0452953784 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.66590482 Capacitance of right DL [F/m2] = 3.66033964 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.45676577 Adsorption of ion 1 on right wall = -3.72333322 Adsorption of ion 2 on left wall = -3.79097771 Adsorption of ion 2 on right wall = 5.27343542 ------------------------------------------------------------------------ net charge in left DL = -9.24774347 7.87114816 net charge in right DL = 8.99676865 -7.87114816 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.693261727 Relative adsorption of ion 1 on right wall = -0.473035591 Relative adsorption of ion 2 on left wall = -0.48162957 Relative adsorption of ion 2 on right wall = 0.669970291 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00846848804 Right electrode charge = -0.00846848804 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00049 Bulk concentration of Na = 1.00162 ________________________________________________________________________ Average electrode charge 1 = 0.0080053387 Average electrode charge 2 = -0.0080053387 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.337834 -0.505938 -0.508038 ________________________________________________________________________ Electrode charge exchange: 0.0782877222 Move Jump Cl: 0.93353 0.36962 Na: 0.93343 0.36974 ________________________________________________________________________ Create NaCl : 186912. / 510343. = 0.36625 Destroy NaCl : 186926. / 510072. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.07362865 Potential at right wall /kT = -1.07581499 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7542016 Potential at right wall /mV = -27.8107203 ________________________________________________________________________ Capacitance of left DL = 0.0549215061 Capacitance of right DL = 0.0548098913 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.60305807 Capacitance of right DL [F/m2] = 3.59573571 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.47502256 Adsorption of ion 1 on right wall = -3.72860097 Adsorption of ion 2 on left wall = -3.77484263 Adsorption of ion 2 on right wall = 5.30139463 ------------------------------------------------------------------------ net charge in left DL = -9.24986519 9.69564616 net charge in right DL = 9.0299956 -9.69564616 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.564688776 Relative adsorption of ion 1 on right wall = -0.384564464 Relative adsorption of ion 2 on left wall = -0.389333786 Relative adsorption of ion 2 on right wall = 0.546780951 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00739856242 Right electrode charge = -0.00739856242 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 172 -1.00 3.0000 1.5000 Na ion: 172 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00072 Bulk concentration of Na = 1.00192 ________________________________________________________________________ Average electrode charge 1 = 0.00800523171 Average electrode charge 2 = -0.00800523171 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.338370 -0.505938 -0.508575 ________________________________________________________________________ Electrode charge exchange: 0.0782669387 Move Jump Cl: 0.93351 0.36972 Na: 0.93347 0.36966 ________________________________________________________________________ Create NaCl : 192343. / 525484. = 0.36603 Destroy NaCl : 192371. / 524940. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.07636228 Potential at right wall /kT = -1.08124044 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8248681 Potential at right wall /mV = -27.9509729 ________________________________________________________________________ Capacitance of left DL = 0.0478607529 Capacitance of right DL = 0.0476448224 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59390742 Capacitance of right DL [F/m2] = 3.577693 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.45191041 Adsorption of ion 1 on right wall = -3.76260436 Adsorption of ion 2 on left wall = -3.80670186 Adsorption of ion 2 on right wall = 5.26408242 ------------------------------------------------------------------------ net charge in left DL = -9.25861227 8.47067894 net charge in right DL = 9.02668678 -8.47067894 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.64362142 Relative adsorption of ion 1 on right wall = -0.444191591 Relative adsorption of ion 2 on left wall = -0.449397491 Relative adsorption of ion 2 on right wall = 0.62144752 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00739414655 Right electrode charge = -0.00739414655 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 1.00105 Bulk concentration of Na = 1.00212 ________________________________________________________________________ Average electrode charge 1 = 0.00798816397 Average electrode charge 2 = -0.00798816397 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.338902 -0.505938 -0.509107 ________________________________________________________________________ Electrode charge exchange: 0.0782300262 Move Jump Cl: 0.93348 0.36983 Na: 0.93345 0.36974 ________________________________________________________________________ Create NaCl : 197890. / 540560. = 0.36608 Destroy NaCl : 197878. / 539636. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.09952704 Potential at right wall /kT = -1.10346743 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4236966 Potential at right wall /mV = -28.5255591 ________________________________________________________________________ Capacitance of left DL = 0.0468244617 Capacitance of right DL = 0.0466572553 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.51819122 Capacitance of right DL [F/m2] = 3.50562804 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.40147351 Adsorption of ion 1 on right wall = -3.73610519 Adsorption of ion 2 on left wall = -3.84078399 Adsorption of ion 2 on right wall = 5.29814194 ------------------------------------------------------------------------ net charge in left DL = -9.2422575 8.46562317 net charge in right DL = 9.03424713 -8.46562317 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.63804795 Relative adsorption of ion 1 on right wall = -0.441326659 Relative adsorption of ion 2 on left wall = -0.45369182 Relative adsorption of ion 2 on right wall = 0.625841929 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0113167917 Right electrode charge = -0.0113167917 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00185 Bulk concentration of Na = 1.00299 ________________________________________________________________________ Average electrode charge 1 = 0.00800007765 Average electrode charge 2 = -0.00800007765 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.340563 -0.505938 -0.510767 ________________________________________________________________________ Electrode charge exchange: 0.07823674 Move Jump Cl: 0.93357 0.36984 Na: 0.93339 0.36976 ________________________________________________________________________ Create NaCl : 203352. / 555574. = 0.36602 Destroy NaCl : 203348. / 554553. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.0922044 Potential at right wall /kT = -1.09376295 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2344002 Potential at right wall /mV = -28.2746902 ________________________________________________________________________ Capacitance of left DL = 0.0721456344 Capacitance of right DL = 0.0720428306 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.5417788 Capacitance of right DL [F/m2] = 3.53673195 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.33190176 Adsorption of ion 1 on right wall = -3.73265905 Adsorption of ion 2 on left wall = -3.92455647 Adsorption of ion 2 on right wall = 5.30147191 ------------------------------------------------------------------------ net charge in left DL = -9.25645823 12.956694 net charge in right DL = 9.03413096 -12.956694 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.411517147 Relative adsorption of ion 1 on right wall = -0.288087304 Relative adsorption of ion 2 on left wall = -0.302897981 Relative adsorption of ion 2 on right wall = 0.409168566 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00951372053 Right electrode charge = -0.00951372053 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00099 Bulk concentration of Na = 1.00216 ________________________________________________________________________ Average electrode charge 1 = 0.00800708515 Average electrode charge 2 = -0.00800708515 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.338876 -0.505938 -0.509081 ________________________________________________________________________ Electrode charge exchange: 0.0782332272 Move Jump Cl: 0.93360 0.36973 Na: 0.93350 0.36976 ________________________________________________________________________ Create NaCl : 208886. / 570597. = 0.36608 Destroy NaCl : 208890. / 569659. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.11765503 Potential at right wall /kT = -1.12260406 ------------------------------------------------------------------------ Potential at left wall /mV = 28.8923204 Potential at right wall /mV = -29.0202571 ________________________________________________________________________ Capacitance of left DL = 0.0592697732 Capacitance of right DL = 0.0590084807 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.46112733 Capacitance of right DL [F/m2] = 3.44586885 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.39431738 Adsorption of ion 1 on right wall = -3.73145806 Adsorption of ion 2 on left wall = -3.88956049 Adsorption of ion 2 on right wall = 5.32444652 ------------------------------------------------------------------------ net charge in left DL = -9.28387787 10.892342 net charge in right DL = 9.05590458 -10.892342 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495239443 Relative adsorption of ion 1 on right wall = -0.342576285 Relative adsorption of ion 2 on left wall = -0.357091294 Relative adsorption of ion 2 on right wall = 0.488824766 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0080195869 Right electrode charge = -0.0080195869 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00117 Bulk concentration of Na = 1.00232 ________________________________________________________________________ Average electrode charge 1 = 0.00800110452 Average electrode charge 2 = -0.00800110452 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.339218 -0.505938 -0.509422 ________________________________________________________________________ Electrode charge exchange: 0.0782229088 Move Jump Cl: 0.93362 0.36986 Na: 0.93341 0.36959 ________________________________________________________________________ Create NaCl : 214330. / 585718. = 0.36593 Destroy NaCl : 214330. / 584725. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.09180264 Potential at right wall /kT = -1.09559292 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2240146 Potential at right wall /mV = -28.3219964 ________________________________________________________________________ Capacitance of left DL = 0.0511444495 Capacitance of right DL = 0.0509675119 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.54308207 Capacitance of right DL [F/m2] = 3.53082454 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.37093288 Adsorption of ion 1 on right wall = -3.71612695 Adsorption of ion 2 on left wall = -3.88786564 Adsorption of ion 2 on right wall = 5.31810615 ------------------------------------------------------------------------ net charge in left DL = -9.25879852 9.18169531 net charge in right DL = 9.0342331 -9.18169531 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.584960914 Relative adsorption of ion 1 on right wall = -0.404732114 Relative adsorption of ion 2 on left wall = -0.423436578 Relative adsorption of ion 2 on right wall = 0.579207431 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00744070714 Right electrode charge = -0.00744070714 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00198 Bulk concentration of Na = 1.00293 ________________________________________________________________________ Average electrode charge 1 = 0.00799127629 Average electrode charge 2 = -0.00799127629 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.335733 -15.340636 -0.505938 -0.510841 ________________________________________________________________________ Electrode charge exchange: 0.0781989437 Move Jump Cl: 0.93357 0.36987 Na: 0.93342 0.36955 ________________________________________________________________________ Create NaCl : 219833. / 600739. = 0.36594 Destroy NaCl : 219831. / 599746. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.11535545 Potential at right wall /kT = -1.11945136 ------------------------------------------------------------------------ Potential at left wall /mV = 28.8328744 Potential at right wall /mV = -28.938757 ________________________________________________________________________ Capacitance of left DL = 0.0464506258 Capacitance of right DL = 0.04628067 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.46826329 Capacitance of right DL [F/m2] = 3.45557344 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31223736 Adsorption of ion 1 on right wall = -3.80256098 Adsorption of ion 2 on left wall = -3.93141819 Adsorption of ion 2 on right wall = 5.25537348 ------------------------------------------------------------------------ net charge in left DL = -9.24365554 8.51893079 net charge in right DL = 9.05793446 -8.51893079 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.623580293 Relative adsorption of ion 1 on right wall = -0.44636599 Relative adsorption of ion 2 on left wall = -0.461491974 Relative adsorption of ion 2 on right wall = 0.616905291 ________________________________________________________________________ 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 = 54.9646039 starting xl = 54.9646039 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 200 net charge on left wall /e = 18.8560937 net charge on right wall /e = -18.8560937 net charge on walls /e (starting) = 0. Initial sigma = 0.0164695165 net charge on walls = 0. N( 1) = 200 ----------------------------------------- nimax = 200 max = 2000 ntot = 400 max = 12000 ntry = 400 max = 12000 ----------------------------------------- vgc = 1 1.04357847E+11 Cl conc = 1. ----------------------------------------- iter = 5 1 1. 1.0029318 1 -15.3357334 -15.3406361 1 -1.06 -0.510840728 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 5 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103185389 Right electrode charge = -0.0103185389 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99095 Bulk concentration of Na = 0.98645 ________________________________________________________________________ Average electrode charge 1 = 0.00852212271 Average electrode charge 2 = -0.00852212271 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.317905 -0.510841 -0.488110 ________________________________________________________________________ Electrode charge exchange: 0.0782184051 Move Jump Cl: 0.92995 0.36921 Na: 0.93414 0.37223 ________________________________________________________________________ Create NaCl : 5482. / 14867. = 0.36874 Destroy NaCl : 5494. / 15007. = 0.36610 ________________________________________________________________________ Potential at left wall /kT = 1.17187584 Potential at right wall /kT = -1.2881646 ------------------------------------------------------------------------ Potential at left wall /mV = 30.293974 Potential at right wall /mV = -33.3001359 ________________________________________________________________________ Capacitance of left DL = 0.0613094269 Capacitance of right DL = 0.0557747328 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.30098653 Capacitance of right DL [F/m2] = 3.00299075 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.08469799 Adsorption of ion 1 on right wall = -1.72866868 Adsorption of ion 2 on left wall = -3.27632354 Adsorption of ion 2 on right wall = 8.50714312 ------------------------------------------------------------------------ net charge in left DL = -9.36102153 11.8137856 net charge in right DL = 10.2358118 -11.8137856 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.515050653 Relative adsorption of ion 1 on right wall = -0.146326397 Relative adsorption of ion 2 on left wall = -0.277330541 Relative adsorption of ion 2 on right wall = 0.720103057 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00546687522 Right electrode charge = -0.00546687522 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00031 Bulk concentration of Na = 0.99523 ________________________________________________________________________ Average electrode charge 1 = 0.00775094018 Average electrode charge 2 = -0.00775094018 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336159 -0.510841 -0.506363 ________________________________________________________________________ Electrode charge exchange: 0.078224868 Move Jump Cl: 0.93318 0.36758 Na: 0.93363 0.37047 ________________________________________________________________________ Create NaCl : 10937. / 30011. = 0.36443 Destroy NaCl : 10940. / 29830. = 0.36674 ________________________________________________________________________ Potential at left wall /kT = 1.2022731 Potential at right wall /kT = -1.2973692 ------------------------------------------------------------------------ Potential at left wall /mV = 31.0797686 Potential at right wall /mV = -33.5380827 ________________________________________________________________________ Capacitance of left DL = 0.0316611499 Capacitance of right DL = 0.0293404134 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.21752717 Capacitance of right DL [F/m2] = 2.98168506 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.41717222 Adsorption of ion 1 on right wall = -2.28204444 Adsorption of ion 2 on left wall = -3.07036662 Adsorption of ion 2 on right wall = 7.19320005 ------------------------------------------------------------------------ net charge in left DL = -8.48753884 6.25907334 net charge in right DL = 9.47524449 -6.25907334 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.865491093 Relative adsorption of ion 1 on right wall = -0.364597812 Relative adsorption of ion 2 on left wall = -0.490546515 Relative adsorption of ion 2 on right wall = 1.14924361 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0112965747 Right electrode charge = -0.0112965747 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00200 Bulk concentration of Na = 1.00218 ________________________________________________________________________ Average electrode charge 1 = 0.00780762022 Average electrode charge 2 = -0.00780762022 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.344813 -0.510841 -0.515018 ________________________________________________________________________ Electrode charge exchange: 0.0782204283 Move Jump Cl: 0.93372 0.36966 Na: 0.93478 0.37245 ________________________________________________________________________ Create NaCl : 16428. / 45024. = 0.36487 Destroy NaCl : 16440. / 44603. = 0.36859 ________________________________________________________________________ Potential at left wall /kT = 1.07515688 Potential at right wall /kT = -1.18145182 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7937075 Potential at right wall /mV = -30.5415211 ________________________________________________________________________ Capacitance of left DL = 0.0731586349 Capacitance of right DL = 0.0665765695 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.59793669 Capacitance of right DL [F/m2] = 3.27423116 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.60994518 Adsorption of ion 1 on right wall = -2.66619371 Adsorption of ion 2 on left wall = -3.37233017 Adsorption of ion 2 on right wall = 6.28264205 ------------------------------------------------------------------------ net charge in left DL = -8.98227535 12.9335473 net charge in right DL = 8.94883576 -12.9335473 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.433751472 Relative adsorption of ion 1 on right wall = -0.206145587 Relative adsorption of ion 2 on left wall = -0.260742864 Relative adsorption of ion 2 on right wall = 0.485763256 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00945099008 Right electrode charge = -0.00945099008 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99976 Bulk concentration of Na = 0.99888 ________________________________________________________________________ Average electrode charge 1 = 0.00797841768 Average electrode charge 2 = -0.00797841768 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339278 -0.510841 -0.509482 ________________________________________________________________________ Electrode charge exchange: 0.078200598 Move Jump Cl: 0.93356 0.36994 Na: 0.93415 0.37339 ________________________________________________________________________ Create NaCl : 21922. / 60057. = 0.36502 Destroy NaCl : 21910. / 59529. = 0.36806 ________________________________________________________________________ Potential at left wall /kT = 1.17295441 Potential at right wall /kT = -1.24877682 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3218558 Potential at right wall /mV = -32.2819289 ________________________________________________________________________ Capacitance of left DL = 0.056103096 Capacitance of right DL = 0.0526966648 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.29795118 Capacitance of right DL [F/m2] = 3.09770833 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.68607858 Adsorption of ion 1 on right wall = -2.93667559 Adsorption of ion 2 on left wall = -3.42908618 Adsorption of ion 2 on right wall = 6.34914298 ------------------------------------------------------------------------ net charge in left DL = -9.11516476 10.8205214 net charge in right DL = 9.28581857 -10.8205214 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.52549026 Relative adsorption of ion 1 on right wall = -0.271398715 Relative adsorption of ion 2 on left wall = -0.316905819 Relative adsorption of ion 2 on right wall = 0.586768676 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00776404684 Right electrode charge = -0.00776404684 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00031 Bulk concentration of Na = 1.00004 ________________________________________________________________________ Average electrode charge 1 = 0.00797226696 Average electrode charge 2 = -0.00797226696 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340985 -0.510841 -0.511189 ________________________________________________________________________ Electrode charge exchange: 0.0781998407 Move Jump Cl: 0.93401 0.36845 Na: 0.93366 0.37332 ________________________________________________________________________ Create NaCl : 27394. / 75007. = 0.36522 Destroy NaCl : 27395. / 74381. = 0.36831 ________________________________________________________________________ Potential at left wall /kT = 1.17869477 Potential at right wall /kT = -1.23296892 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4702491 Potential at right wall /mV = -31.8732813 ________________________________________________________________________ Capacitance of left DL = 0.0458645822 Capacitance of right DL = 0.0438456659 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.28188981 Capacitance of right DL [F/m2] = 3.13742407 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.77090858 Adsorption of ion 1 on right wall = -3.14056142 Adsorption of ion 2 on left wall = -3.39129681 Adsorption of ion 2 on right wall = 6.07477986 ------------------------------------------------------------------------ net charge in left DL = -9.16220539 8.88912525 net charge in right DL = 9.21534128 -8.88912525 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.649209953 Relative adsorption of ion 1 on right wall = -0.353303765 Relative adsorption of ion 2 on left wall = -0.381510746 Relative adsorption of ion 2 on right wall = 0.683394562 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00774282241 Right electrode charge = -0.00774282241 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00013 Bulk concentration of Na = 0.99853 ________________________________________________________________________ Average electrode charge 1 = 0.00798630801 Average electrode charge 2 = -0.00798630801 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339294 -0.510841 -0.509498 ________________________________________________________________________ Electrode charge exchange: 0.0781764182 Move Jump Cl: 0.93444 0.36794 Na: 0.93366 0.37122 ________________________________________________________________________ Create NaCl : 32867. / 89900. = 0.36560 Destroy NaCl : 32877. / 89454. = 0.36753 ________________________________________________________________________ Potential at left wall /kT = 1.11877205 Potential at right wall /kT = -1.15508423 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9211963 Potential at right wall /mV = -29.8598967 ________________________________________________________________________ Capacitance of left DL = 0.0481890477 Capacitance of right DL = 0.046674137 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.45767163 Capacitance of right DL [F/m2] = 3.34897341 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.53682186 Adsorption of ion 1 on right wall = -3.3118337 Adsorption of ion 2 on left wall = -3.46708602 Adsorption of ion 2 on right wall = 6.00213621 ------------------------------------------------------------------------ net charge in left DL = -9.00390787 8.86482522 net charge in right DL = 9.3139699 -8.86482522 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.624583308 Relative adsorption of ion 1 on right wall = -0.373592667 Relative adsorption of ion 2 on left wall = -0.391105964 Relative adsorption of ion 2 on right wall = 0.677073271 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0071506181 Right electrode charge = -0.0071506181 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99814 Bulk concentration of Na = 0.99656 ________________________________________________________________________ Average electrode charge 1 = 0.00797346972 Average electrode charge 2 = -0.00797346972 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335330 -0.510841 -0.505534 ________________________________________________________________________ Electrode charge exchange: 0.0781438227 Move Jump Cl: 0.93474 0.36864 Na: 0.93413 0.37089 ________________________________________________________________________ Create NaCl : 38358. / 104861. = 0.36580 Destroy NaCl : 38372. / 104638. = 0.36671 ________________________________________________________________________ Potential at left wall /kT = 1.00200074 Potential at right wall /kT = -1.03419605 ------------------------------------------------------------------------ Potential at left wall /mV = 25.90256 Potential at right wall /mV = -26.7348357 ________________________________________________________________________ Capacitance of left DL = 0.0496896793 Capacitance of right DL = 0.048142802 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.86062227 Capacitance of right DL [F/m2] = 3.74043817 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.41469128 Adsorption of ion 1 on right wall = -3.46460634 Adsorption of ion 2 on left wall = -3.49998253 Adsorption of ion 2 on right wall = 5.75914366 ------------------------------------------------------------------------ net charge in left DL = -8.91467381 8.18680532 net charge in right DL = 9.22375 -8.18680532 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.661392456 Relative adsorption of ion 1 on right wall = -0.423193933 Relative adsorption of ion 2 on left wall = -0.427515056 Relative adsorption of ion 2 on right wall = 0.703466546 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00681965212 Right electrode charge = -0.00681965212 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99572 Bulk concentration of Na = 0.99479 ________________________________________________________________________ Average electrode charge 1 = 0.0079896355 Average electrode charge 2 = -0.0079896355 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331126 -0.510841 -0.501331 ________________________________________________________________________ Electrode charge exchange: 0.0781935926 Move Jump Cl: 0.93450 0.36912 Na: 0.93372 0.37106 ________________________________________________________________________ Create NaCl : 43947. / 119791. = 0.36686 Destroy NaCl : 43954. / 119734. = 0.36710 ________________________________________________________________________ Potential at left wall /kT = 1.02977357 Potential at right wall /kT = -1.04902867 ------------------------------------------------------------------------ Potential at left wall /mV = 26.6205109 Potential at right wall /mV = -27.1182714 ________________________________________________________________________ Capacitance of left DL = 0.0461117 Capacitance of right DL = 0.0452653119 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.75650191 Capacitance of right DL [F/m2] = 3.68755067 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25884126 Adsorption of ion 1 on right wall = -3.39855041 Adsorption of ion 2 on left wall = -3.74555489 Adsorption of ion 2 on right wall = 5.78705345 ------------------------------------------------------------------------ net charge in left DL = -9.00439614 7.80787946 net charge in right DL = 9.18560386 -7.80787946 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.673530026 Relative adsorption of ion 1 on right wall = -0.435271885 Relative adsorption of ion 2 on left wall = -0.479714742 Relative adsorption of ion 2 on right wall = 0.741181197 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00400824579 Right electrode charge = -0.00400824579 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99581 Bulk concentration of Na = 0.99477 ________________________________________________________________________ Average electrode charge 1 = 0.00798625936 Average electrode charge 2 = -0.00798625936 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331196 -0.510841 -0.501400 ________________________________________________________________________ Electrode charge exchange: 0.0782042419 Move Jump Cl: 0.93426 0.36911 Na: 0.93403 0.37143 ________________________________________________________________________ Create NaCl : 49449. / 134763. = 0.36693 Destroy NaCl : 49449. / 134741. = 0.36699 ________________________________________________________________________ Potential at left wall /kT = 0.959612212 Potential at right wall /kT = -0.992674324 ------------------------------------------------------------------------ Potential at left wall /mV = 24.806781 Potential at right wall /mV = -25.6614643 ________________________________________________________________________ Capacitance of left DL = 0.0290836716 Capacitance of right DL = 0.0281150078 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 4.03115584 Capacitance of right DL [F/m2] = 3.89689375 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.10404376 Adsorption of ion 1 on right wall = -3.32164142 Adsorption of ion 2 on left wall = -3.84676654 Adsorption of ion 2 on right wall = 5.83029642 ------------------------------------------------------------------------ net charge in left DL = -8.9508103 4.58907572 net charge in right DL = 9.15193785 -4.58907572 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.11221607 Relative adsorption of ion 1 on right wall = -0.723814908 Relative adsorption of ion 2 on left wall = -0.838244294 Relative adsorption of ion 2 on right wall = 1.27047292 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00654964347 Right electrode charge = -0.00654964347 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99706 Bulk concentration of Na = 0.99620 ________________________________________________________________________ Average electrode charge 1 = 0.00802230853 Average electrode charge 2 = -0.00802230853 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.333885 -0.510841 -0.504090 ________________________________________________________________________ Electrode charge exchange: 0.0781824145 Move Jump Cl: 0.93451 0.36939 Na: 0.93381 0.37115 ________________________________________________________________________ Create NaCl : 54892. / 149890. = 0.36622 Destroy NaCl : 54911. / 149752. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 0.971321973 Potential at right wall /kT = -0.997876293 ------------------------------------------------------------------------ Potential at left wall /mV = 25.1094881 Potential at right wall /mV = -25.7959396 ________________________________________________________________________ Capacitance of left DL = 0.0469510273 Capacitance of right DL = 0.0457016213 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.98255829 Capacitance of right DL [F/m2] = 3.87657909 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.02540783 Adsorption of ion 1 on right wall = -3.39769884 Adsorption of ion 2 on left wall = -3.98827733 Adsorption of ion 2 on right wall = 5.78328267 ------------------------------------------------------------------------ net charge in left DL = -9.01368516 7.49874419 net charge in right DL = 9.1809815 -7.49874419 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.670166591 Relative adsorption of ion 1 on right wall = -0.45310238 Relative adsorption of ion 2 on left wall = -0.531859366 Relative adsorption of ion 2 on right wall = 0.771233492 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00420645661 Right electrode charge = -0.00420645661 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99634 Bulk concentration of Na = 0.99582 ________________________________________________________________________ Average electrode charge 1 = 0.00794963657 Average electrode charge 2 = -0.00794963657 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332785 -0.510841 -0.502990 ________________________________________________________________________ Electrode charge exchange: 0.0782001916 Move Jump Cl: 0.93496 0.36991 Na: 0.93416 0.37124 ________________________________________________________________________ Create NaCl : 60409. / 164886. = 0.36637 Destroy NaCl : 60411. / 164673. = 0.36685 ________________________________________________________________________ Potential at left wall /kT = 1.00542096 Potential at right wall /kT = -1.05044448 ------------------------------------------------------------------------ Potential at left wall /mV = 25.9909756 Potential at right wall /mV = -27.1548715 ________________________________________________________________________ Capacitance of left DL = 0.0291312507 Capacitance of right DL = 0.0278826445 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.84748928 Capacitance of right DL [F/m2] = 3.6825805 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.01428548 Adsorption of ion 1 on right wall = -3.44418574 Adsorption of ion 2 on left wall = -3.98253285 Adsorption of ion 2 on right wall = 5.65352322 ------------------------------------------------------------------------ net charge in left DL = -8.99681832 4.81600903 net charge in right DL = 9.09770895 -4.81600903 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.04117028 Relative adsorption of ion 1 on right wall = -0.715153504 Relative adsorption of ion 2 on left wall = -0.826936332 Relative adsorption of ion 2 on right wall = 1.17390212 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0049890569 Right electrode charge = -0.0049890569 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99496 Bulk concentration of Na = 0.99454 ________________________________________________________________________ Average electrode charge 1 = 0.00799927043 Average electrode charge 2 = -0.00799927043 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330106 -0.510841 -0.500311 ________________________________________________________________________ Electrode charge exchange: 0.078212923 Move Jump Cl: 0.93516 0.37018 Na: 0.93443 0.37124 ________________________________________________________________________ Create NaCl : 65831. / 179811. = 0.36611 Destroy NaCl : 65841. / 179686. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.04658901 Potential at right wall /kT = -1.09350568 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0552041 Potential at right wall /mV = -28.2680396 ________________________________________________________________________ Capacitance of left DL = 0.0331919633 Capacitance of right DL = 0.0317678677 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.69614658 Capacitance of right DL [F/m2] = 3.53756403 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16988343 Adsorption of ion 1 on right wall = -3.37374851 Adsorption of ion 2 on left wall = -3.91629729 Adsorption of ion 2 on right wall = 5.79551243 ------------------------------------------------------------------------ net charge in left DL = -9.08618072 5.71201496 net charge in right DL = 9.16926094 -5.71201496 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.905089267 Relative adsorption of ion 1 on right wall = -0.5906407 Relative adsorption of ion 2 on left wall = -0.685624481 Relative adsorption of ion 2 on right wall = 1.01461787 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00646184126 Right electrode charge = -0.00646184126 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99354 Bulk concentration of Na = 0.99387 ________________________________________________________________________ Average electrode charge 1 = 0.00797142563 Average electrode charge 2 = -0.00797142563 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.328013 -0.510841 -0.498217 ________________________________________________________________________ Electrode charge exchange: 0.0782075555 Move Jump Cl: 0.93503 0.37075 Na: 0.93442 0.37107 ________________________________________________________________________ Create NaCl : 71379. / 194821. = 0.36638 Destroy NaCl : 71397. / 194888. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.02468318 Potential at right wall /kT = -1.07109151 ------------------------------------------------------------------------ Potential at left wall /mV = 26.48892 Potential at right wall /mV = -27.6886143 ________________________________________________________________________ Capacitance of left DL = 0.0439093827 Capacitance of right DL = 0.0420068738 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.77516335 Capacitance of right DL [F/m2] = 3.61159279 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.28235636 Adsorption of ion 1 on right wall = -3.34834364 Adsorption of ion 2 on left wall = -3.83534005 Adsorption of ion 2 on right wall = 5.70567021 ------------------------------------------------------------------------ net charge in left DL = -9.11769641 7.39821868 net charge in right DL = 9.05401385 -7.39821868 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.714003814 Relative adsorption of ion 1 on right wall = -0.452587817 Relative adsorption of ion 2 on left wall = -0.518413988 Relative adsorption of ion 2 on right wall = 0.771222162 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00919752828 Right electrode charge = -0.00919752828 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99404 Bulk concentration of Na = 0.99395 ________________________________________________________________________ Average electrode charge 1 = 0.00800215195 Average electrode charge 2 = -0.00800215195 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.328594 -0.510841 -0.498799 ________________________________________________________________________ Electrode charge exchange: 0.0782021371 Move Jump Cl: 0.93503 0.37073 Na: 0.93458 0.37085 ________________________________________________________________________ Create NaCl : 76906. / 209935. = 0.36633 Destroy NaCl : 76920. / 209863. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.052741 Potential at right wall /kT = -1.09218216 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2142383 Potential at right wall /mV = -28.2338255 ________________________________________________________________________ Capacitance of left DL = 0.060833142 Capacitance of right DL = 0.0586363198 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.67454709 Capacitance of right DL [F/m2] = 3.5418509 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24522443 Adsorption of ion 1 on right wall = -3.40245414 Adsorption of ion 2 on left wall = -3.87941475 Adsorption of ion 2 on right wall = 5.74042335 ------------------------------------------------------------------------ net charge in left DL = -9.12463918 10.5303307 net charge in right DL = 9.14287749 -10.5303307 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.498106334 Relative adsorption of ion 1 on right wall = -0.323109903 Relative adsorption of ion 2 on left wall = -0.368403885 Relative adsorption of ion 2 on right wall = 0.545132295 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00699800766 Right electrode charge = -0.00699800766 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99559 Bulk concentration of Na = 0.99615 ________________________________________________________________________ Average electrode charge 1 = 0.00793935335 Average electrode charge 2 = -0.00793935335 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332361 -0.510841 -0.502566 ________________________________________________________________________ Electrode charge exchange: 0.0782227201 Move Jump Cl: 0.93492 0.37077 Na: 0.93474 0.37039 ________________________________________________________________________ Create NaCl : 82385. / 225001. = 0.36615 Destroy NaCl : 82387. / 224715. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.08439365 Potential at right wall /kT = -1.12584303 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0324859 Potential at right wall /mV = -29.103987 ________________________________________________________________________ Capacitance of left DL = 0.0449343123 Capacitance of right DL = 0.0432799972 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.56728976 Capacitance of right DL [F/m2] = 3.43595536 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25372521 Adsorption of ion 1 on right wall = -3.59899146 Adsorption of ion 2 on left wall = -3.88593232 Adsorption of ion 2 on right wall = 5.43276879 ------------------------------------------------------------------------ net charge in left DL = -9.13965753 8.01208028 net charge in right DL = 9.03176025 -8.01208028 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.655725482 Relative adsorption of ion 1 on right wall = -0.449195631 Relative adsorption of ion 2 on left wall = -0.48500916 Relative adsorption of ion 2 on right wall = 0.678072185 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00563799947 Right electrode charge = -0.00563799947 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99607 Bulk concentration of Na = 0.99701 ________________________________________________________________________ Average electrode charge 1 = 0.00793039539 Average electrode charge 2 = -0.00793039539 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.333704 -0.510841 -0.503908 ________________________________________________________________________ Electrode charge exchange: 0.0782125969 Move Jump Cl: 0.93480 0.37162 Na: 0.93449 0.37046 ________________________________________________________________________ Create NaCl : 87899. / 240032. = 0.36620 Destroy NaCl : 87896. / 239746. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.12734445 Potential at right wall /kT = -1.168612 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1428001 Potential at right wall /mV = -30.2096008 ________________________________________________________________________ Capacitance of left DL = 0.0348224282 Capacitance of right DL = 0.0335927334 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43137927 Capacitance of right DL [F/m2] = 3.31020594 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.39368642 Adsorption of ion 1 on right wall = -3.70642504 Adsorption of ion 2 on left wall = -3.80285958 Adsorption of ion 2 on right wall = 5.30642271 ------------------------------------------------------------------------ net charge in left DL = -9.196546 6.45499499 net charge in right DL = 9.01284775 -6.45499499 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.835583363 Relative adsorption of ion 1 on right wall = -0.574194875 Relative adsorption of ion 2 on left wall = -0.589134397 Relative adsorption of ion 2 on right wall = 0.822064575 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00937496764 Right electrode charge = -0.00937496764 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99735 Bulk concentration of Na = 0.99764 ________________________________________________________________________ Average electrode charge 1 = 0.00793270675 Average electrode charge 2 = -0.00793270675 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335626 -0.510841 -0.505831 ________________________________________________________________________ Electrode charge exchange: 0.0782061288 Move Jump Cl: 0.93467 0.37136 Na: 0.93452 0.37042 ________________________________________________________________________ Create NaCl : 93423. / 254913. = 0.36649 Destroy NaCl : 93421. / 254741. = 0.36673 ________________________________________________________________________ Potential at left wall /kT = 1.18055183 Potential at right wall /kT = -1.22894877 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5182555 Potential at right wall /mV = -31.769357 ________________________________________________________________________ Capacitance of left DL = 0.0552936643 Capacitance of right DL = 0.0531161577 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.27672727 Capacitance of right DL [F/m2] = 3.14768725 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31695279 Adsorption of ion 1 on right wall = -3.75725898 Adsorption of ion 2 on left wall = -3.85422691 Adsorption of ion 2 on right wall = 5.35823976 ------------------------------------------------------------------------ net charge in left DL = -9.17117969 10.7334826 net charge in right DL = 9.11549874 -10.7334826 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495361383 Relative adsorption of ion 1 on right wall = -0.350050316 Relative adsorption of ion 2 on left wall = -0.35908447 Relative adsorption of ion 2 on right wall = 0.499207942 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00637126383 Right electrode charge = -0.00637126383 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99669 Bulk concentration of Na = 0.99696 ________________________________________________________________________ Average electrode charge 1 = 0.00796743111 Average electrode charge 2 = -0.00796743111 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334274 -0.510841 -0.504478 ________________________________________________________________________ Electrode charge exchange: 0.078221662 Move Jump Cl: 0.93482 0.37128 Na: 0.93436 0.37041 ________________________________________________________________________ Create NaCl : 98875. / 269988. = 0.36622 Destroy NaCl : 98891. / 269778. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.18528536 Potential at right wall /kT = -1.23500878 ------------------------------------------------------------------------ Potential at left wall /mV = 30.6406212 Potential at right wall /mV = -31.9260135 ________________________________________________________________________ Capacitance of left DL = 0.0374277157 Capacitance of right DL = 0.0359208161 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.2636414 Capacitance of right DL [F/m2] = 3.13224199 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.35122536 Adsorption of ion 1 on right wall = -3.60737557 Adsorption of ion 2 on left wall = -3.85970279 Adsorption of ion 2 on right wall = 5.55064258 ------------------------------------------------------------------------ net charge in left DL = -9.21092815 7.29451578 net charge in right DL = 9.15801815 -7.29451578 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.733595693 Relative adsorption of ion 1 on right wall = -0.494532561 Relative adsorption of ion 2 on left wall = -0.529123921 Relative adsorption of ion 2 on right wall = 0.760933658 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00751906944 Right electrode charge = -0.00751906944 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99686 Bulk concentration of Na = 0.99722 ________________________________________________________________________ Average electrode charge 1 = 0.0079801098 Average electrode charge 2 = -0.0079801098 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334709 -0.510841 -0.504913 ________________________________________________________________________ Electrode charge exchange: 0.0782578615 Move Jump Cl: 0.93472 0.37098 Na: 0.93446 0.37031 ________________________________________________________________________ Create NaCl : 104443. / 285031. = 0.36643 Destroy NaCl : 104457. / 284802. = 0.36677 ________________________________________________________________________ Potential at left wall /kT = 1.19574144 Potential at right wall /kT = -1.24214216 ------------------------------------------------------------------------ Potential at left wall /mV = 30.9109196 Potential at right wall /mV = -32.1104173 ________________________________________________________________________ Capacitance of left DL = 0.043784205 Capacitance of right DL = 0.0421486282 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.23510272 Capacitance of right DL [F/m2] = 3.11425414 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32005681 Adsorption of ion 1 on right wall = -3.54565635 Adsorption of ion 2 on left wall = -3.91945338 Adsorption of ion 2 on right wall = 5.62285627 ------------------------------------------------------------------------ net charge in left DL = -9.23951019 8.60864848 net charge in right DL = 9.16851262 -8.60864848 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.617989784 Relative adsorption of ion 1 on right wall = -0.411871428 Relative adsorption of ion 2 on left wall = -0.455292534 Relative adsorption of ion 2 on right wall = 0.653163651 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00711372683 Right electrode charge = -0.00711372683 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99686 Bulk concentration of Na = 0.99713 ________________________________________________________________________ Average electrode charge 1 = 0.00798922162 Average electrode charge 2 = -0.00798922162 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334621 -0.510841 -0.504826 ________________________________________________________________________ Electrode charge exchange: 0.0782743231 Move Jump Cl: 0.93451 0.37080 Na: 0.93433 0.37001 ________________________________________________________________________ Create NaCl : 109864. / 299953. = 0.36627 Destroy NaCl : 109864. / 299672. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.19408694 Potential at right wall /kT = -1.23229634 ------------------------------------------------------------------------ Potential at left wall /mV = 30.8681494 Potential at right wall /mV = -31.8558944 ________________________________________________________________________ Capacitance of left DL = 0.0414812552 Capacitance of right DL = 0.0401950599 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.2395852 Capacitance of right DL [F/m2] = 3.13913647 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.22877597 Adsorption of ion 1 on right wall = -3.47290319 Adsorption of ion 2 on left wall = -4.00718841 Adsorption of ion 2 on right wall = 5.71109742 ------------------------------------------------------------------------ net charge in left DL = -9.23596439 8.14456818 net charge in right DL = 9.18400061 -8.14456818 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.641995482 Relative adsorption of ion 1 on right wall = -0.426407283 Relative adsorption of ion 2 on left wall = -0.492007473 Relative adsorption of ion 2 on right wall = 0.701215496 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0120601145 Right electrode charge = -0.0120601145 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 206 -1.00 3.0000 1.5000 Na ion: 206 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99714 Bulk concentration of Na = 0.99764 ________________________________________________________________________ Average electrode charge 1 = 0.00797464542 Average electrode charge 2 = -0.00797464542 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335415 -0.510841 -0.505620 ________________________________________________________________________ Electrode charge exchange: 0.0782612855 Move Jump Cl: 0.93442 0.37058 Na: 0.93444 0.36989 ________________________________________________________________________ Create NaCl : 115459. / 315010. = 0.36652 Destroy NaCl : 115453. / 314706. = 0.36686 ________________________________________________________________________ Potential at left wall /kT = 1.20701974 Potential at right wall /kT = -1.24397182 ------------------------------------------------------------------------ Potential at left wall /mV = 31.2024732 Potential at right wall /mV = -32.1577154 ________________________________________________________________________ Capacitance of left DL = 0.0695709144 Capacitance of right DL = 0.0675043163 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.20487416 Capacitance of right DL [F/m2] = 3.10967365 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24897635 Adsorption of ion 1 on right wall = -3.49859984 Adsorption of ion 2 on left wall = -4.00207909 Adsorption of ion 2 on right wall = 5.65473996 ------------------------------------------------------------------------ net charge in left DL = -9.25105544 13.8077308 net charge in right DL = 9.1533398 -13.8077308 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.380147646 Relative adsorption of ion 1 on right wall = -0.253379784 Relative adsorption of ion 2 on left wall = -0.289843361 Relative adsorption of ion 2 on right wall = 0.409534344 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00602602217 Right electrode charge = -0.00602602217 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99688 Bulk concentration of Na = 0.99723 ________________________________________________________________________ Average electrode charge 1 = 0.00797389811 Average electrode charge 2 = -0.00797389811 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334743 -0.510841 -0.504948 ________________________________________________________________________ Electrode charge exchange: 0.0782594221 Move Jump Cl: 0.93432 0.37065 Na: 0.93433 0.37032 ________________________________________________________________________ Create NaCl : 120936. / 329935. = 0.36654 Destroy NaCl : 120952. / 329761. = 0.36679 ________________________________________________________________________ Potential at left wall /kT = 1.20838597 Potential at right wall /kT = -1.24362696 ------------------------------------------------------------------------ Potential at left wall /mV = 31.2377914 Potential at right wall /mV = -32.1488006 ________________________________________________________________________ Capacitance of left DL = 0.0347228771 Capacitance of right DL = 0.0337389256 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.20125065 Capacitance of right DL [F/m2] = 3.11053595 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31245744 Adsorption of ion 1 on right wall = -3.56435241 Adsorption of ion 2 on left wall = -3.92237879 Adsorption of ion 2 on right wall = 5.60318409 ------------------------------------------------------------------------ net charge in left DL = -9.23483622 6.89924558 net charge in right DL = 9.1675365 -6.89924558 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.770005557 Relative adsorption of ion 1 on right wall = -0.5166293 Relative adsorption of ion 2 on left wall = -0.568522855 Relative adsorption of ion 2 on right wall = 0.812144463 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00820577399 Right electrode charge = -0.00820577399 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99662 Bulk concentration of Na = 0.99677 ________________________________________________________________________ Average electrode charge 1 = 0.00798157757 Average electrode charge 2 = -0.00798157757 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334009 -0.510841 -0.504213 ________________________________________________________________________ Electrode charge exchange: 0.0782697444 Move Jump Cl: 0.93431 0.37071 Na: 0.93434 0.37076 ________________________________________________________________________ Create NaCl : 126494. / 344927. = 0.36673 Destroy NaCl : 126508. / 344859. = 0.36684 ________________________________________________________________________ Potential at left wall /kT = 1.22559558 Potential at right wall /kT = -1.26081533 ------------------------------------------------------------------------ Potential at left wall /mV = 31.6826742 Potential at right wall /mV = -32.5931343 ________________________________________________________________________ Capacitance of left DL = 0.0466190069 Capacitance of right DL = 0.0453167466 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.15629922 Capacitance of right DL [F/m2] = 3.06813082 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.33128985 Adsorption of ion 1 on right wall = -3.63785943 Adsorption of ion 2 on left wall = -3.90365054 Adsorption of ion 2 on right wall = 5.56829439 ------------------------------------------------------------------------ net charge in left DL = -9.23494039 9.39486254 net charge in right DL = 9.20615382 -9.39486254 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.567468638 Relative adsorption of ion 1 on right wall = -0.387217951 Relative adsorption of ion 2 on left wall = -0.415509064 Relative adsorption of ion 2 on right wall = 0.592695675 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0120344849 Right electrode charge = -0.0120344849 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99556 Bulk concentration of Na = 0.99581 ________________________________________________________________________ Average electrode charge 1 = 0.00795906121 Average electrode charge 2 = -0.00795906121 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331989 -0.510841 -0.502194 ________________________________________________________________________ Electrode charge exchange: 0.0782337912 Move Jump Cl: 0.93421 0.37069 Na: 0.93431 0.37084 ________________________________________________________________________ Create NaCl : 132044. / 359957. = 0.36683 Destroy NaCl : 132046. / 359857. = 0.36694 ________________________________________________________________________ Potential at left wall /kT = 1.24511062 Potential at right wall /kT = -1.28203707 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1871545 Potential at right wall /mV = -33.1417341 ________________________________________________________________________ Capacitance of left DL = 0.0672992493 Capacitance of right DL = 0.0653608326 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.10682947 Capacitance of right DL [F/m2] = 3.01734362 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32683666 Adsorption of ion 1 on right wall = -3.53128834 Adsorption of ion 2 on left wall = -3.90585757 Adsorption of ion 2 on right wall = 5.65183688 ------------------------------------------------------------------------ net charge in left DL = -9.23269423 13.7783872 net charge in right DL = 9.18312521 -13.7783872 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.386608142 Relative adsorption of ion 1 on right wall = -0.25629185 Relative adsorption of ion 2 on left wall = -0.283477124 Relative adsorption of ion 2 on right wall = 0.410195824 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00844561169 Right electrode charge = -0.00844561169 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99636 Bulk concentration of Na = 0.99620 ________________________________________________________________________ Average electrode charge 1 = 0.00796815266 Average electrode charge 2 = -0.00796815266 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.333184 -0.510841 -0.503389 ________________________________________________________________________ Electrode charge exchange: 0.078246691 Move Jump Cl: 0.93431 0.37096 Na: 0.93435 0.37083 ________________________________________________________________________ Create NaCl : 137492. / 374842. = 0.36680 Destroy NaCl : 137512. / 374919. = 0.36678 ________________________________________________________________________ Potential at left wall /kT = 1.24619754 Potential at right wall /kT = -1.2826623 ------------------------------------------------------------------------ Potential at left wall /mV = 32.2152522 Potential at right wall /mV = -33.1578968 ________________________________________________________________________ Capacitance of left DL = 0.0471883587 Capacitance of right DL = 0.0458468427 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.10411973 Capacitance of right DL [F/m2] = 3.01587283 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24164191 Adsorption of ion 1 on right wall = -3.64280142 Adsorption of ion 2 on left wall = -3.96045939 Adsorption of ion 2 on right wall = 5.59123328 ------------------------------------------------------------------------ net charge in left DL = -9.20210129 9.66945482 net charge in right DL = 9.23403471 -9.66945482 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.542082466 Relative adsorption of ion 1 on right wall = -0.376732866 Relative adsorption of ion 2 on left wall = -0.409584559 Relative adsorption of ion 2 on right wall = 0.578236662 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00772913866 Right electrode charge = -0.00772913866 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99579 Bulk concentration of Na = 0.99600 ________________________________________________________________________ Average electrode charge 1 = 0.00797297541 Average electrode charge 2 = -0.00797297541 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332402 -0.510841 -0.502606 ________________________________________________________________________ Electrode charge exchange: 0.078249896 Move Jump Cl: 0.93431 0.37111 Na: 0.93430 0.37060 ________________________________________________________________________ Create NaCl : 142952. / 389732. = 0.36680 Destroy NaCl : 142960. / 389927. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.24216996 Potential at right wall /kT = -1.28088156 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1111358 Potential at right wall /mV = -33.1118632 ________________________________________________________________________ Capacitance of left DL = 0.0433252154 Capacitance of right DL = 0.0420158136 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.11418446 Capacitance of right DL [F/m2] = 3.02006563 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.27564873 Adsorption of ion 1 on right wall = -3.64693909 Adsorption of ion 2 on left wall = -3.96677474 Adsorption of ion 2 on right wall = 5.55420283 ------------------------------------------------------------------------ net charge in left DL = -9.24242347 8.84915858 net charge in right DL = 9.20114192 -8.84915858 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.596175183 Relative adsorption of ion 1 on right wall = -0.412122696 Relative adsorption of ion 2 on left wall = -0.448265753 Relative adsorption of ion 2 on right wall = 0.627653215 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0092341889 Right electrode charge = -0.0092341889 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99497 Bulk concentration of Na = 0.99514 ________________________________________________________________________ Average electrode charge 1 = 0.0079770456 Average electrode charge 2 = -0.0079770456 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330723 -0.510841 -0.500928 ________________________________________________________________________ Electrode charge exchange: 0.0782614501 Move Jump Cl: 0.93423 0.37130 Na: 0.93428 0.37038 ________________________________________________________________________ Create NaCl : 148457. / 404722. = 0.36681 Destroy NaCl : 148477. / 404980. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.24589241 Potential at right wall /kT = -1.2830739 ------------------------------------------------------------------------ Potential at left wall /mV = 32.2073644 Potential at right wall /mV = -33.168537 ________________________________________________________________________ Capacitance of left DL = 0.05160703 Capacitance of right DL = 0.0501115385 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.10487995 Capacitance of right DL [F/m2] = 3.01490536 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.36057463 Adsorption of ion 1 on right wall = -3.68506858 Adsorption of ion 2 on left wall = -3.88373984 Adsorption of ion 2 on right wall = 5.52626263 ------------------------------------------------------------------------ net charge in left DL = -9.24431447 10.5723038 net charge in right DL = 9.21133121 -10.5723038 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.507039407 Relative adsorption of ion 1 on right wall = -0.348558711 Relative adsorption of ion 2 on left wall = -0.367350383 Relative adsorption of ion 2 on right wall = 0.522711298 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00729879053 Right electrode charge = -0.00729879053 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99521 Bulk concentration of Na = 0.99529 ________________________________________________________________________ Average electrode charge 1 = 0.00795958568 Average electrode charge 2 = -0.00795958568 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331114 -0.510841 -0.501318 ________________________________________________________________________ Electrode charge exchange: 0.0782257822 Move Jump Cl: 0.93418 0.37128 Na: 0.93438 0.37034 ________________________________________________________________________ Create NaCl : 153895. / 419491. = 0.36686 Destroy NaCl : 153904. / 420062. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.260444 Potential at right wall /kT = -1.3017615 ------------------------------------------------------------------------ Potential at left wall /mV = 32.583535 Potential at right wall /mV = -33.6516272 ________________________________________________________________________ Capacitance of left DL = 0.0403197657 Capacitance of right DL = 0.0390400288 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.06903471 Capacitance of right DL [F/m2] = 2.9716245 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.38076109 Adsorption of ion 1 on right wall = -3.6950913 Adsorption of ion 2 on left wall = -3.84652077 Adsorption of ion 2 on right wall = 5.51591852 ------------------------------------------------------------------------ net charge in left DL = -9.22728186 8.35644923 net charge in right DL = 9.21100981 -8.35644923 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.643905197 Relative adsorption of ion 1 on right wall = -0.442184377 Relative adsorption of ion 2 on left wall = -0.460305647 Relative adsorption of ion 2 on right wall = 0.660079223 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00963348489 Right electrode charge = -0.00963348489 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99489 Bulk concentration of Na = 0.99472 ________________________________________________________________________ Average electrode charge 1 = 0.00793752909 Average electrode charge 2 = -0.00793752909 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330220 -0.510841 -0.500424 ________________________________________________________________________ Electrode charge exchange: 0.0782132793 Move Jump Cl: 0.93412 0.37112 Na: 0.93421 0.37037 ________________________________________________________________________ Create NaCl : 159425. / 434463. = 0.36695 Destroy NaCl : 159432. / 435172. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.26845594 Potential at right wall /kT = -1.31307809 ------------------------------------------------------------------------ Potential at left wall /mV = 32.7906506 Potential at right wall /mV = -33.9441706 ________________________________________________________________________ Capacitance of left DL = 0.0528808815 Capacitance of right DL = 0.0510838379 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.04964977 Capacitance of right DL [F/m2] = 2.94601395 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.43509316 Adsorption of ion 1 on right wall = -3.72546316 Adsorption of ion 2 on left wall = -3.7504564 Adsorption of ion 2 on right wall = 5.4925436 ------------------------------------------------------------------------ net charge in left DL = -9.18554956 11.0294613 net charge in right DL = 9.21800676 -11.0294613 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.492779569 Relative adsorption of ion 1 on right wall = -0.337773811 Relative adsorption of ion 2 on left wall = -0.340039854 Relative adsorption of ion 2 on right wall = 0.497988385 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00529797656 Right electrode charge = -0.00529797656 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99494 Bulk concentration of Na = 0.99456 ________________________________________________________________________ Average electrode charge 1 = 0.0079274331 Average electrode charge 2 = -0.0079274331 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330116 -0.510841 -0.500320 ________________________________________________________________________ Electrode charge exchange: 0.0782414699 Move Jump Cl: 0.93409 0.37107 Na: 0.93402 0.37031 ________________________________________________________________________ Create NaCl : 164999. / 449536. = 0.36704 Destroy NaCl : 164999. / 450408. = 0.36633 ________________________________________________________________________ Potential at left wall /kT = 1.2526746 Potential at right wall /kT = -1.29347331 ------------------------------------------------------------------------ Potential at left wall /mV = 32.3826895 Potential at right wall /mV = -33.4373704 ________________________________________________________________________ Capacitance of left DL = 0.0294484483 Capacitance of right DL = 0.0285195859 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.08806963 Capacitance of right DL [F/m2] = 2.99066579 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.38039832 Adsorption of ion 1 on right wall = -3.72123724 Adsorption of ion 2 on left wall = -3.76284584 Adsorption of ion 2 on right wall = 5.49592638 ------------------------------------------------------------------------ net charge in left DL = -9.14324416 6.06569978 net charge in right DL = 9.21716362 -6.06569978 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.887020213 Relative adsorption of ion 1 on right wall = -0.613488529 Relative adsorption of ion 2 on left wall = -0.620348184 Relative adsorption of ion 2 on right wall = 0.906066336 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00881366838 Right electrode charge = -0.00881366838 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99467 Bulk concentration of Na = 0.99431 ________________________________________________________________________ Average electrode charge 1 = 0.00794169274 Average electrode charge 2 = -0.00794169274 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.329587 -0.510841 -0.499792 ________________________________________________________________________ Electrode charge exchange: 0.0782637485 Move Jump Cl: 0.93401 0.37116 Na: 0.93405 0.37016 ________________________________________________________________________ Create NaCl : 170479. / 464561. = 0.36697 Destroy NaCl : 170475. / 465423. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.20621561 Potential at right wall /kT = -1.2465484 ------------------------------------------------------------------------ Potential at left wall /mV = 31.1816859 Potential at right wall /mV = -32.2243222 ________________________________________________________________________ Capacitance of left DL = 0.0508771075 Capacitance of right DL = 0.0492309496 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.20701069 Capacitance of right DL [F/m2] = 3.10324603 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.39690437 Adsorption of ion 1 on right wall = -3.63540154 Adsorption of ion 2 on left wall = -3.73437656 Adsorption of ion 2 on right wall = 5.56622828 ------------------------------------------------------------------------ net charge in left DL = -9.13128094 10.0908462 net charge in right DL = 9.20162981 -10.0908462 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.534831697 Relative adsorption of ion 1 on right wall = -0.360267264 Relative adsorption of ion 2 on left wall = -0.370075661 Relative adsorption of ion 2 on right wall = 0.551611648 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00769263648 Right electrode charge = -0.00769263648 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99486 Bulk concentration of Na = 0.99470 ________________________________________________________________________ Average electrode charge 1 = 0.00792067103 Average electrode charge 2 = -0.00792067103 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330161 -0.510841 -0.500366 ________________________________________________________________________ Electrode charge exchange: 0.0782537846 Move Jump Cl: 0.93409 0.37112 Na: 0.93401 0.37013 ________________________________________________________________________ Create NaCl : 175998. / 479698. = 0.36689 Destroy NaCl : 176007. / 480373. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.19600515 Potential at right wall /kT = -1.23507191 ------------------------------------------------------------------------ Potential at left wall /mV = 30.9177367 Potential at right wall /mV = -31.9276453 ________________________________________________________________________ Capacitance of left DL = 0.0447850243 Capacitance of right DL = 0.0433684219 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.2343894 Capacitance of right DL [F/m2] = 3.13208191 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.37912671 Adsorption of ion 1 on right wall = -3.63849464 Adsorption of ion 2 on left wall = -3.74274595 Adsorption of ion 2 on right wall = 5.51458478 ------------------------------------------------------------------------ net charge in left DL = -9.12187266 8.80736691 net charge in right DL = 9.15307942 -8.80736691 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.610753108 Relative adsorption of ion 1 on right wall = -0.413119458 Relative adsorption of ion 2 on left wall = -0.424956288 Relative adsorption of ion 2 on right wall = 0.626133194 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00645782416 Right electrode charge = -0.00645782416 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99520 Bulk concentration of Na = 0.99508 ________________________________________________________________________ Average electrode charge 1 = 0.00791756741 Average electrode charge 2 = -0.00791756741 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330894 -0.510841 -0.501098 ________________________________________________________________________ Electrode charge exchange: 0.0782350699 Move Jump Cl: 0.93416 0.37097 Na: 0.93401 0.37014 ________________________________________________________________________ Create NaCl : 181467. / 494711. = 0.36681 Destroy NaCl : 181469. / 495357. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 1.17344045 Potential at right wall /kT = -1.21339334 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3344203 Potential at right wall /mV = -31.3672361 ________________________________________________________________________ Capacitance of left DL = 0.0383191454 Capacitance of right DL = 0.037057427 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.29658516 Capacitance of right DL [F/m2] = 3.18803989 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.39338958 Adsorption of ion 1 on right wall = -3.68166547 Adsorption of ion 2 on left wall = -3.71466585 Adsorption of ion 2 on right wall = 5.45021546 ------------------------------------------------------------------------ net charge in left DL = -9.10805544 7.39361947 net charge in right DL = 9.13188093 -7.39361947 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.7294654 Relative adsorption of ion 1 on right wall = -0.497951712 Relative adsorption of ion 2 on left wall = -0.502415072 Relative adsorption of ion 2 on right wall = 0.737151199 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00899183236 Right electrode charge = -0.00899183236 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99573 Bulk concentration of Na = 0.99558 ________________________________________________________________________ Average electrode charge 1 = 0.00792334736 Average electrode charge 2 = -0.00792334736 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331922 -0.510841 -0.502126 ________________________________________________________________________ Electrode charge exchange: 0.078221751 Move Jump Cl: 0.93420 0.37090 Na: 0.93407 0.37004 ________________________________________________________________________ Create NaCl : 186966. / 509695. = 0.36682 Destroy NaCl : 186970. / 510318. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.16342069 Potential at right wall /kT = -1.20386627 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0754012 Potential at right wall /mV = -31.1209535 ________________________________________________________________________ Capacitance of left DL = 0.0538148421 Capacitance of right DL = 0.0520068568 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.32497642 Capacitance of right DL [F/m2] = 3.21326916 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.34294439 Adsorption of ion 1 on right wall = -3.73447767 Adsorption of ion 2 on left wall = -3.76254433 Adsorption of ion 2 on right wall = 5.40067773 ------------------------------------------------------------------------ net charge in left DL = -9.10548871 10.2948277 net charge in right DL = 9.13515541 -10.2948277 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.518993087 Relative adsorption of ion 1 on right wall = -0.362752811 Relative adsorption of ion 2 on left wall = -0.365479098 Relative adsorption of ion 2 on right wall = 0.524601082 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00623746895 Right electrode charge = -0.00623746895 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99538 Bulk concentration of Na = 0.99531 ________________________________________________________________________ Average electrode charge 1 = 0.00790637708 Average electrode charge 2 = -0.00790637708 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331308 -0.510841 -0.501513 ________________________________________________________________________ Electrode charge exchange: 0.0782295683 Move Jump Cl: 0.93411 0.37108 Na: 0.93410 0.37033 ________________________________________________________________________ Create NaCl : 192465. / 524604. = 0.36688 Destroy NaCl : 192464. / 525354. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.17281349 Potential at right wall /kT = -1.20691911 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3182128 Potential at right wall /mV = -31.1998718 ________________________________________________________________________ Capacitance of left DL = 0.0370313972 Capacitance of right DL = 0.0359849486 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.29834745 Capacitance of right DL [F/m2] = 3.20514138 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.333536 Adsorption of ion 1 on right wall = -3.72518971 Adsorption of ion 2 on left wall = -3.76576656 Adsorption of ion 2 on right wall = 5.38790772 ------------------------------------------------------------------------ net charge in left DL = -9.09930256 7.14133286 net charge in right DL = 9.11309744 -7.14133286 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.746854419 Relative adsorption of ion 1 on right wall = -0.521637878 Relative adsorption of ion 2 on left wall = -0.527319849 Relative adsorption of ion 2 on right wall = 0.754468085 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00811229827 Right electrode charge = -0.00811229827 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99521 Bulk concentration of Na = 0.99518 ________________________________________________________________________ Average electrode charge 1 = 0.00790285809 Average electrode charge 2 = -0.00790285809 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331004 -0.510841 -0.501209 ________________________________________________________________________ Electrode charge exchange: 0.0781996838 Move Jump Cl: 0.93422 0.37111 Na: 0.93421 0.37030 ________________________________________________________________________ Create NaCl : 198024. / 539519. = 0.36704 Destroy NaCl : 198032. / 540320. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.15288316 Potential at right wall /kT = -1.18910023 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8029972 Potential at right wall /mV = -30.7392389 ________________________________________________________________________ Capacitance of left DL = 0.0489947186 Capacitance of right DL = 0.0475024599 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35536723 Capacitance of right DL [F/m2] = 3.25317099 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.36800633 Adsorption of ion 1 on right wall = -3.74909737 Adsorption of ion 2 on left wall = -3.72096004 Adsorption of ion 2 on right wall = 5.34420477 ------------------------------------------------------------------------ net charge in left DL = -9.08896638 9.28784137 net charge in right DL = 9.09330214 -9.28784137 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.577960596 Relative adsorption of ion 1 on right wall = -0.403656482 Relative adsorption of ion 2 on left wall = -0.400627002 Relative adsorption of ion 2 on right wall = 0.575397938 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00788320355 Right electrode charge = -0.00788320355 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99502 Bulk concentration of Na = 0.99483 ________________________________________________________________________ Average electrode charge 1 = 0.00789261083 Average electrode charge 2 = -0.00789261083 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330464 -0.510841 -0.500669 ________________________________________________________________________ Electrode charge exchange: 0.0782127813 Move Jump Cl: 0.93438 0.37107 Na: 0.93419 0.37032 ________________________________________________________________________ Create NaCl : 203419. / 554227. = 0.36703 Destroy NaCl : 203438. / 555484. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.14413232 Potential at right wall /kT = -1.18053832 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5767805 Potential at right wall /mV = -30.5179062 ________________________________________________________________________ Capacitance of left DL = 0.0479752384 Capacitance of right DL = 0.0464957552 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3810306 Capacitance of right DL [F/m2] = 3.27676477 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.34645706 Adsorption of ion 1 on right wall = -3.77375781 Adsorption of ion 2 on left wall = -3.70949887 Adsorption of ion 2 on right wall = 5.31999797 ------------------------------------------------------------------------ net charge in left DL = -9.05595593 9.02554882 net charge in right DL = 9.09375578 -9.02554882 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.592369192 Relative adsorption of ion 1 on right wall = -0.418119483 Relative adsorption of ion 2 on left wall = -0.410999813 Relative adsorption of ion 2 on right wall = 0.589437615 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0098742727 Right electrode charge = -0.0098742727 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99567 Bulk concentration of Na = 0.99546 ________________________________________________________________________ Average electrode charge 1 = 0.00789129688 Average electrode charge 2 = -0.00789129688 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331747 -0.510841 -0.501952 ________________________________________________________________________ Electrode charge exchange: 0.0781937243 Move Jump Cl: 0.93435 0.37105 Na: 0.93414 0.37026 ________________________________________________________________________ Create NaCl : 208852. / 569182. = 0.36693 Destroy NaCl : 208867. / 570367. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.12539088 Potential at right wall /kT = -1.16122136 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0922987 Potential at right wall /mV = -30.0185468 ________________________________________________________________________ Capacitance of left DL = 0.0610931303 Capacitance of right DL = 0.0592080492 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43733581 Capacitance of right DL [F/m2] = 3.33127385 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32306629 Adsorption of ion 1 on right wall = -3.79092976 Adsorption of ion 2 on left wall = -3.71748394 Adsorption of ion 2 on right wall = 5.29097001 ------------------------------------------------------------------------ net charge in left DL = -9.04055023 11.3051413 net charge in right DL = 9.08189977 -11.3051413 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.470853582 Relative adsorption of ion 1 on right wall = -0.335327941 Relative adsorption of ion 2 on left wall = -0.328831266 Relative adsorption of ion 2 on right wall = 0.468014495 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00863718034 Right electrode charge = -0.00863718034 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99536 Bulk concentration of Na = 0.99544 ________________________________________________________________________ Average electrode charge 1 = 0.00787936577 Average electrode charge 2 = -0.00787936577 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331409 -0.510841 -0.501614 ________________________________________________________________________ Electrode charge exchange: 0.0781820311 Move Jump Cl: 0.93441 0.37120 Na: 0.93408 0.37012 ________________________________________________________________________ Create NaCl : 214306. / 584077. = 0.36691 Destroy NaCl : 214299. / 585538. = 0.36599 ________________________________________________________________________ Potential at left wall /kT = 1.13157553 Potential at right wall /kT = -1.16476696 ------------------------------------------------------------------------ Potential at left wall /mV = 29.252177 Potential at right wall /mV = -30.1102035 ________________________________________________________________________ Capacitance of left DL = 0.0531470415 Capacitance of right DL = 0.0516325526 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.41854899 Capacitance of right DL [F/m2] = 3.32113332 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.30090845 Adsorption of ion 1 on right wall = -3.76324283 Adsorption of ion 2 on left wall = -3.75856133 Adsorption of ion 2 on right wall = 5.28021132 ------------------------------------------------------------------------ net charge in left DL = -9.05946978 9.88878345 net charge in right DL = 9.04345415 -9.88878345 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.536052638 Relative adsorption of ion 1 on right wall = -0.380556703 Relative adsorption of ion 2 on left wall = -0.380083288 Relative adsorption of ion 2 on right wall = 0.533959647 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00566424592 Right electrode charge = -0.00566424592 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99577 Bulk concentration of Na = 0.99590 ________________________________________________________________________ Average electrode charge 1 = 0.00788135345 Average electrode charge 2 = -0.00788135345 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332289 -0.510841 -0.502494 ________________________________________________________________________ Electrode charge exchange: 0.0781976814 Move Jump Cl: 0.93452 0.37126 Na: 0.93412 0.37005 ________________________________________________________________________ Create NaCl : 219795. / 599069. = 0.36689 Destroy NaCl : 219802. / 600645. = 0.36594 ________________________________________________________________________ Potential at left wall /kT = 1.13959981 Potential at right wall /kT = -1.17210385 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4596114 Potential at right wall /mV = -30.2998681 ________________________________________________________________________ Capacitance of left DL = 0.0346083094 Capacitance of right DL = 0.0336485737 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.39447791 Capacitance of right DL [F/m2] = 3.3003444 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.28175596 Adsorption of ion 1 on right wall = -3.81624612 Adsorption of ion 2 on left wall = -3.78988268 Adsorption of ion 2 on right wall = 5.22900857 ------------------------------------------------------------------------ net charge in left DL = -9.07163864 6.48504478 net charge in right DL = 9.0452547 -6.48504478 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.814451733 Relative adsorption of ion 1 on right wall = -0.588468739 Relative adsorption of ion 2 on left wall = -0.584403471 Relative adsorption of ion 2 on right wall = 0.806318036 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 205------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00887492871 Right electrode charge = -0.00887492871 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99564 Bulk concentration of Na = 0.99586 ________________________________________________________________________ Average electrode charge 1 = 0.00789868552 Average electrode charge 2 = -0.00789868552 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332123 -0.510841 -0.502328 ________________________________________________________________________ Electrode charge exchange: 0.0781752565 Move Jump Cl: 0.93451 0.37132 Na: 0.93406 0.37018 ________________________________________________________________________ Create NaCl : 225305. / 614206. = 0.36682 Destroy NaCl : 225315. / 615465. = 0.36609 ________________________________________________________________________ Potential at left wall /kT = 1.16641926 Potential at right wall /kT = -1.19988104 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1529168 Potential at right wall /mV = -31.0179317 ________________________________________________________________________ Capacitance of left DL = 0.0529786445 Capacitance of right DL = 0.0515011985 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.31642874 Capacitance of right DL [F/m2] = 3.22394158 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31604361 Adsorption of ion 1 on right wall = -3.7755194 Adsorption of ion 2 on left wall = -3.79944164 Adsorption of ion 2 on right wall = 5.29773601 ------------------------------------------------------------------------ net charge in left DL = -9.11548524 10.1609836 net charge in right DL = 9.07325541 -10.1609836 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.523181987 Relative adsorption of ion 1 on right wall = -0.371570267 Relative adsorption of ion 2 on left wall = -0.37392459 Relative adsorption of ion 2 on right wall = 0.521380232 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 210------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00365500219 Right electrode charge = -0.00365500219 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99558 Bulk concentration of Na = 0.99590 ________________________________________________________________________ Average electrode charge 1 = 0.00789722281 Average electrode charge 2 = -0.00789722281 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332096 -0.510841 -0.502300 ________________________________________________________________________ Electrode charge exchange: 0.0781612833 Move Jump Cl: 0.93434 0.37123 Na: 0.93418 0.37011 ________________________________________________________________________ Create NaCl : 230798. / 629392. = 0.36670 Destroy NaCl : 230810. / 630429. = 0.36612 ________________________________________________________________________ Potential at left wall /kT = 1.16072461 Potential at right wall /kT = -1.19397166 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0057052 Potential at right wall /mV = -30.8651694 ________________________________________________________________________ Capacitance of left DL = 0.0219254796 Capacitance of right DL = 0.0213149479 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33269954 Capacitance of right DL [F/m2] = 3.23989799 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31992496 Adsorption of ion 1 on right wall = -3.72030798 Adsorption of ion 2 on left wall = -3.80027242 Adsorption of ion 2 on right wall = 5.33724226 ------------------------------------------------------------------------ net charge in left DL = -9.12019738 4.18464403 net charge in right DL = 9.05755024 -4.18464403 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.27129689 Relative adsorption of ion 1 on right wall = -0.889038099 Relative adsorption of ion 2 on left wall = -0.908147118 Relative adsorption of ion 2 on right wall = 1.27543519 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 215------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0082481935 Right electrode charge = -0.0082481935 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99547 Bulk concentration of Na = 0.99590 ________________________________________________________________________ Average electrode charge 1 = 0.00789081662 Average electrode charge 2 = -0.00789081662 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331990 -0.510841 -0.502194 ________________________________________________________________________ Electrode charge exchange: 0.0781687912 Move Jump Cl: 0.93429 0.37121 Na: 0.93409 0.37017 ________________________________________________________________________ Create NaCl : 236255. / 644334. = 0.36667 Destroy NaCl : 236251. / 645366. = 0.36607 ________________________________________________________________________ Potential at left wall /kT = 1.16187599 Potential at right wall /kT = -1.19612436 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0354694 Potential at right wall /mV = -30.9208184 ________________________________________________________________________ Capacitance of left DL = 0.0494298982 Capacitance of right DL = 0.0480145828 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.32939695 Capacitance of right DL [F/m2] = 3.23406705 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31696508 Adsorption of ion 1 on right wall = -3.72120662 Adsorption of ion 2 on left wall = -3.80786738 Adsorption of ion 2 on right wall = 5.32083844 ------------------------------------------------------------------------ net charge in left DL = -9.12483246 9.44342901 net charge in right DL = 9.04204506 -9.44342901 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.563033309 Relative adsorption of ion 1 on right wall = -0.39405248 Relative adsorption of ion 2 on left wall = -0.403229312 Relative adsorption of ion 2 on right wall = 0.563443473 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 220------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00623502146 Right electrode charge = -0.00623502146 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99537 Bulk concentration of Na = 0.99571 ________________________________________________________________________ Average electrode charge 1 = 0.00790001566 Average electrode charge 2 = -0.00790001566 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331699 -0.510841 -0.501904 ________________________________________________________________________ Electrode charge exchange: 0.0781353269 Move Jump Cl: 0.93422 0.37121 Na: 0.93406 0.37014 ________________________________________________________________________ Create NaCl : 241772. / 659365. = 0.36667 Destroy NaCl : 241776. / 660193. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.13350496 Potential at right wall /kT = -1.16858069 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3020544 Potential at right wall /mV = -30.2087915 ________________________________________________________________________ Capacitance of left DL = 0.038300565 Capacitance of right DL = 0.037150948 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.41272999 Capacitance of right DL [F/m2] = 3.31029462 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32255619 Adsorption of ion 1 on right wall = -3.69353775 Adsorption of ion 2 on left wall = -3.78533342 Adsorption of ion 2 on right wall = 5.34942643 ------------------------------------------------------------------------ net charge in left DL = -9.10788961 7.1385307 net charge in right DL = 9.04296418 -7.1385307 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.745609484 Relative adsorption of ion 1 on right wall = -0.517408681 Relative adsorption of ion 2 on left wall = -0.530267864 Relative adsorption of ion 2 on right wall = 0.749373597 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 225------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0077933309 Right electrode charge = -0.0077933309 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99583 Bulk concentration of Na = 0.99604 ________________________________________________________________________ Average electrode charge 1 = 0.00790255804 Average electrode charge 2 = -0.00790255804 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332486 -0.510841 -0.502691 ________________________________________________________________________ Electrode charge exchange: 0.0781284383 Move Jump Cl: 0.93426 0.37123 Na: 0.93406 0.37018 ________________________________________________________________________ Create NaCl : 247266. / 674394. = 0.36665 Destroy NaCl : 247280. / 675305. = 0.36618 ________________________________________________________________________ Potential at left wall /kT = 1.1580548 Potential at right wall /kT = -1.19134771 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9366884 Potential at right wall /mV = -30.7973381 ________________________________________________________________________ Capacitance of left DL = 0.0468580983 Capacitance of right DL = 0.0455486212 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34038284 Capacitance of right DL [F/m2] = 3.24703387 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.33626408 Adsorption of ion 1 on right wall = -3.73506481 Adsorption of ion 2 on left wall = -3.77785653 Adsorption of ion 2 on right wall = 5.33701384 ------------------------------------------------------------------------ net charge in left DL = -9.11412061 8.92265283 net charge in right DL = 9.07207865 -8.92265283 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.598058019 Relative adsorption of ion 1 on right wall = -0.418604744 Relative adsorption of ion 2 on left wall = -0.423400596 Relative adsorption of ion 2 on right wall = 0.598142049 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 230------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00997866058 Right electrode charge = -0.00997866058 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99588 Bulk concentration of Na = 0.99597 ________________________________________________________________________ Average electrode charge 1 = 0.00791363689 Average electrode charge 2 = -0.00791363689 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332467 -0.510841 -0.502671 ________________________________________________________________________ Electrode charge exchange: 0.0781480904 Move Jump Cl: 0.93435 0.37111 Na: 0.93399 0.37030 ________________________________________________________________________ Create NaCl : 252710. / 689442. = 0.36654 Destroy NaCl : 252719. / 690137. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.17423921 Potential at right wall /kT = -1.20751672 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3550689 Potential at right wall /mV = -31.2153205 ________________________________________________________________________ Capacitance of left DL = 0.0591706481 Capacitance of right DL = 0.057539986 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.29434271 Capacitance of right DL [F/m2] = 3.20355513 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.33273288 Adsorption of ion 1 on right wall = -3.73631314 Adsorption of ion 2 on left wall = -3.79179564 Adsorption of ion 2 on right wall = 5.36948226 ------------------------------------------------------------------------ net charge in left DL = -9.12452852 11.4246559 net charge in right DL = 9.1057954 -11.4246559 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.466774047 Relative adsorption of ion 1 on right wall = -0.327039446 Relative adsorption of ion 2 on left wall = -0.331895828 Relative adsorption of ion 2 on right wall = 0.469990719 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 235------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00625859902 Right electrode charge = -0.00625859902 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99603 Bulk concentration of Na = 0.99613 ________________________________________________________________________ Average electrode charge 1 = 0.00792005478 Average electrode charge 2 = -0.00792005478 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332773 -0.510841 -0.502978 ________________________________________________________________________ Electrode charge exchange: 0.07814582 Move Jump Cl: 0.93432 0.37097 Na: 0.93397 0.37025 ________________________________________________________________________ Create NaCl : 258175. / 704527. = 0.36645 Destroy NaCl : 258182. / 705243. = 0.36609 ________________________________________________________________________ Potential at left wall /kT = 1.1573247 Potential at right wall /kT = -1.19017678 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9178147 Potential at right wall /mV = -30.7670686 ________________________________________________________________________ Capacitance of left DL = 0.037654125 Capacitance of right DL = 0.0366147697 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34249012 Capacitance of right DL [F/m2] = 3.2502284 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.33771009 Adsorption of ion 1 on right wall = -3.69737678 Adsorption of ion 2 on left wall = -3.7840703 Adsorption of ion 2 on right wall = 5.40513361 ------------------------------------------------------------------------ net charge in left DL = -9.12178039 7.16552486 net charge in right DL = 9.10251039 -7.16552486 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.744915439 Relative adsorption of ion 1 on right wall = -0.515995249 Relative adsorption of ion 2 on left wall = -0.528093946 Relative adsorption of ion 2 on right wall = 0.75432487 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 240------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0108226632 Right electrode charge = -0.0108226632 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99570 Bulk concentration of Na = 0.99592 ________________________________________________________________________ Average electrode charge 1 = 0.00793630264 Average electrode charge 2 = -0.00793630264 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332239 -0.510841 -0.502443 ________________________________________________________________________ Electrode charge exchange: 0.0781462306 Move Jump Cl: 0.93433 0.37099 Na: 0.93394 0.37030 ________________________________________________________________________ Create NaCl : 263698. / 719596. = 0.36645 Destroy NaCl : 263703. / 720245. = 0.36613 ________________________________________________________________________ Potential at left wall /kT = 1.17098538 Potential at right wall /kT = -1.20491793 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2709549 Potential at right wall /mV = -31.1481396 ________________________________________________________________________ Capacitance of left DL = 0.0643536703 Capacitance of right DL = 0.0625413612 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.30349672 Capacitance of right DL [F/m2] = 3.21046462 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.36663474 Adsorption of ion 1 on right wall = -3.71960033 Adsorption of ion 2 on left wall = -3.79390915 Adsorption of ion 2 on right wall = 5.39719189 ------------------------------------------------------------------------ net charge in left DL = -9.16054389 12.3909619 net charge in right DL = 9.11679222 -12.3909619 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.433108808 Relative adsorption of ion 1 on right wall = -0.300186568 Relative adsorption of ion 2 on left wall = -0.306183586 Relative adsorption of ion 2 on right wall = 0.435574892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 245------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00839063181 Right electrode charge = -0.00839063181 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99593 Bulk concentration of Na = 0.99616 ________________________________________________________________________ Average electrode charge 1 = 0.00794415422 Average electrode charge 2 = -0.00794415422 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332716 -0.510841 -0.502920 ________________________________________________________________________ Electrode charge exchange: 0.0781347182 Move Jump Cl: 0.93438 0.37099 Na: 0.93391 0.37040 ________________________________________________________________________ Create NaCl : 269159. / 734615. = 0.36639 Destroy NaCl : 269159. / 735118. = 0.36614 ________________________________________________________________________ Potential at left wall /kT = 1.16497072 Potential at right wall /kT = -1.19901404 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1154707 Potential at right wall /mV = -30.9955192 ________________________________________________________________________ Capacitance of left DL = 0.0501499273 Capacitance of right DL = 0.0487260321 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.32055245 Capacitance of right DL [F/m2] = 3.22627278 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.43184715 Adsorption of ion 1 on right wall = -3.79001781 Adsorption of ion 2 on left wall = -3.73393901 Adsorption of ion 2 on right wall = 5.33157425 ------------------------------------------------------------------------ net charge in left DL = -9.16578617 9.60650787 net charge in right DL = 9.12159206 -9.60650787 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.565434102 Relative adsorption of ion 1 on right wall = -0.394526071 Relative adsorption of ion 2 on left wall = -0.388688487 Relative adsorption of ion 2 on right wall = 0.554996084 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 250------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.010300299 Right electrode charge = -0.010300299 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99576 Bulk concentration of Na = 0.99604 ________________________________________________________________________ Average electrode charge 1 = 0.00794105851 Average electrode charge 2 = -0.00794105851 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332422 -0.510841 -0.502627 ________________________________________________________________________ Electrode charge exchange: 0.0781349076 Move Jump Cl: 0.93441 0.37107 Na: 0.93398 0.37031 ________________________________________________________________________ Create NaCl : 274673. / 749650. = 0.36640 Destroy NaCl : 274682. / 750163. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.15366468 Potential at right wall /kT = -1.18747271 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8232002 Potential at right wall /mV = -30.697166 ________________________________________________________________________ Capacitance of left DL = 0.0621671396 Capacitance of right DL = 0.0603972058 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35309421 Capacitance of right DL [F/m2] = 3.25762971 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.48234911 Adsorption of ion 1 on right wall = -3.79881155 Adsorption of ion 2 on left wall = -3.67709596 Adsorption of ion 2 on right wall = 5.3067467 ------------------------------------------------------------------------ net charge in left DL = -9.15944508 11.7929026 net charge in right DL = 9.10555826 -11.7929026 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.464885475 Relative adsorption of ion 1 on right wall = -0.322126935 Relative adsorption of ion 2 on left wall = -0.311805846 Relative adsorption of ion 2 on right wall = 0.449994959 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 255------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00620717094 Right electrode charge = -0.00620717094 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99578 Bulk concentration of Na = 0.99584 ________________________________________________________________________ Average electrode charge 1 = 0.00793689925 Average electrode charge 2 = -0.00793689925 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332236 -0.510841 -0.502440 ________________________________________________________________________ Electrode charge exchange: 0.0781701013 Move Jump Cl: 0.93431 0.37124 Na: 0.93406 0.37046 ________________________________________________________________________ Create NaCl : 280149. / 764627. = 0.36639 Destroy NaCl : 280151. / 765181. = 0.36612 ________________________________________________________________________ Potential at left wall /kT = 1.15631355 Potential at right wall /kT = -1.19029571 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8916755 Potential at right wall /mV = -30.7701429 ________________________________________________________________________ Capacitance of left DL = 0.0373773705 Capacitance of right DL = 0.0363102711 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.345413 Capacitance of right DL [F/m2] = 3.24990366 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.42520037 Adsorption of ion 1 on right wall = -3.8194944 Adsorption of ion 2 on left wall = -3.7098955 Adsorption of ion 2 on right wall = 5.30456725 ------------------------------------------------------------------------ net charge in left DL = -9.13509587 7.10664439 net charge in right DL = 9.12406165 -7.10664439 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.763398317 Relative adsorption of ion 1 on right wall = -0.537453992 Relative adsorption of ion 2 on left wall = -0.522031959 Relative adsorption of ion 2 on right wall = 0.746423622 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 260------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0059107668 Right electrode charge = -0.0059107668 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99569 Bulk concentration of Na = 0.99577 ________________________________________________________________________ Average electrode charge 1 = 0.00792521602 Average electrode charge 2 = -0.00792521602 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332077 -0.510841 -0.502281 ________________________________________________________________________ Electrode charge exchange: 0.0781942822 Move Jump Cl: 0.93422 0.37109 Na: 0.93409 0.37052 ________________________________________________________________________ Create NaCl : 285590. / 779651. = 0.36630 Destroy NaCl : 285597. / 780056. = 0.36612 ________________________________________________________________________ Potential at left wall /kT = 1.14565782 Potential at right wall /kT = -1.17902363 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6162161 Potential at right wall /mV = -30.4787504 ________________________________________________________________________ Capacitance of left DL = 0.0359235753 Capacitance of right DL = 0.0349069551 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37652858 Capacitance of right DL [F/m2] = 3.28097441 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.42408386 Adsorption of ion 1 on right wall = -3.80990524 Adsorption of ion 2 on left wall = -3.6941123 Adsorption of ion 2 on right wall = 5.29120116 ------------------------------------------------------------------------ net charge in left DL = -9.11819616 6.76728869 net charge in right DL = 9.1011064 -6.76728869 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.801515068 Relative adsorption of ion 1 on right wall = -0.562988431 Relative adsorption of ion 2 on left wall = -0.545877747 Relative adsorption of ion 2 on right wall = 0.781879036 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 265------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00857595622 Right electrode charge = -0.00857595622 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99536 Bulk concentration of Na = 0.99546 ________________________________________________________________________ Average electrode charge 1 = 0.00793309949 Average electrode charge 2 = -0.00793309949 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331434 -0.510841 -0.501639 ________________________________________________________________________ Electrode charge exchange: 0.0782080213 Move Jump Cl: 0.93408 0.37104 Na: 0.93404 0.37036 ________________________________________________________________________ Create NaCl : 291070. / 794642. = 0.36629 Destroy NaCl : 291070. / 795184. = 0.36604 ________________________________________________________________________ Potential at left wall /kT = 1.1438213 Potential at right wall /kT = -1.17489481 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5687404 Potential at right wall /mV = -30.3720169 ________________________________________________________________________ Capacitance of left DL = 0.0522053522 Capacitance of right DL = 0.0508246295 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38194995 Capacitance of right DL [F/m2] = 3.29250442 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.45658299 Adsorption of ion 1 on right wall = -3.79338588 Adsorption of ion 2 on left wall = -3.66860132 Adsorption of ion 2 on right wall = 5.3133512 ------------------------------------------------------------------------ net charge in left DL = -9.1251843 9.81868742 net charge in right DL = 9.10673708 -9.81868742 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.555734464 Relative adsorption of ion 1 on right wall = -0.386343482 Relative adsorption of ion 2 on left wall = -0.373634597 Relative adsorption of ion 2 on right wall = 0.541146792 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 270------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00548947733 Right electrode charge = -0.00548947733 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99571 Bulk concentration of Na = 0.99572 ________________________________________________________________________ Average electrode charge 1 = 0.00794821958 Average electrode charge 2 = -0.00794821958 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332050 -0.510841 -0.502255 ________________________________________________________________________ Electrode charge exchange: 0.0782108176 Move Jump Cl: 0.93405 0.37090 Na: 0.93402 0.37033 ________________________________________________________________________ Create NaCl : 296466. / 809598. = 0.36619 Destroy NaCl : 296464. / 810113. = 0.36595 ________________________________________________________________________ Potential at left wall /kT = 1.14890269 Potential at right wall /kT = -1.17831319 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7000988 Potential at right wall /mV = -30.4603847 ________________________________________________________________________ Capacitance of left DL = 0.0332688969 Capacitance of right DL = 0.032438511 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36699217 Capacitance of right DL [F/m2] = 3.28295263 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.47975822 Adsorption of ion 1 on right wall = -3.81649301 Adsorption of ion 2 on left wall = -3.65621494 Adsorption of ion 2 on right wall = 5.31752272 ------------------------------------------------------------------------ net charge in left DL = -9.13597316 6.2849507 net charge in right DL = 9.13401573 -6.2849507 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.871885634 Relative adsorption of ion 1 on right wall = -0.607243111 Relative adsorption of ion 2 on left wall = -0.581741228 Relative adsorption of ion 2 on right wall = 0.846072304 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 275------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00539916783 Right electrode charge = -0.00539916783 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 206 -1.00 3.0000 1.5000 Na ion: 206 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99579 Bulk concentration of Na = 0.99576 ________________________________________________________________________ Average electrode charge 1 = 0.00794147781 Average electrode charge 2 = -0.00794147781 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332173 -0.510841 -0.502378 ________________________________________________________________________ Electrode charge exchange: 0.078201081 Move Jump Cl: 0.93406 0.37088 Na: 0.93412 0.37028 ________________________________________________________________________ Create NaCl : 301981. / 824609. = 0.36621 Destroy NaCl : 301975. / 825108. = 0.36598 ________________________________________________________________________ Potential at left wall /kT = 1.15048898 Potential at right wall /kT = -1.18051245 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7411056 Potential at right wall /mV = -30.5172375 ________________________________________________________________________ Capacitance of left DL = 0.0326764612 Capacitance of right DL = 0.0318454147 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36234978 Capacitance of right DL [F/m2] = 3.27683657 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.45417327 Adsorption of ion 1 on right wall = -3.79930673 Adsorption of ion 2 on left wall = -3.67199335 Adsorption of ion 2 on right wall = 5.33225695 ------------------------------------------------------------------------ net charge in left DL = -9.12616662 6.18155455 net charge in right DL = 9.13156368 -6.18155455 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.882330363 Relative adsorption of ion 1 on right wall = -0.614619947 Relative adsorption of ion 2 on left wall = -0.594024257 Relative adsorption of ion 2 on right wall = 0.862607765 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 280------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00862018506 Right electrode charge = -0.00862018506 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99540 Bulk concentration of Na = 0.99552 ________________________________________________________________________ Average electrode charge 1 = 0.00793795051 Average electrode charge 2 = -0.00793795051 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331535 -0.510841 -0.501740 ________________________________________________________________________ Electrode charge exchange: 0.0781869697 Move Jump Cl: 0.93393 0.37086 Na: 0.93402 0.37033 ________________________________________________________________________ Create NaCl : 307454. / 839524. = 0.36622 Destroy NaCl : 307476. / 840351. = 0.36589 ________________________________________________________________________ Potential at left wall /kT = 1.16685352 Potential at right wall /kT = -1.19500099 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1641427 Potential at right wall /mV = -30.8917785 ________________________________________________________________________ Capacitance of left DL = 0.0514388087 Capacitance of right DL = 0.0502272008 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3151945 Capacitance of right DL [F/m2] = 3.23710724 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.47432527 Adsorption of ion 1 on right wall = -3.76126104 Adsorption of ion 2 on left wall = -3.6709627 Adsorption of ion 2 on right wall = 5.36239861 ------------------------------------------------------------------------ net charge in left DL = -9.14528797 9.86932541 net charge in right DL = 9.12365965 -9.86932541 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.554680796 Relative adsorption of ion 1 on right wall = -0.381106194 Relative adsorption of ion 2 on left wall = -0.3719568 Relative adsorption of ion 2 on right wall = 0.543339934 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 285------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00644435182 Right electrode charge = -0.00644435182 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99519 Bulk concentration of Na = 0.99522 ________________________________________________________________________ Average electrode charge 1 = 0.00793243788 Average electrode charge 2 = -0.00793243788 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331019 -0.510841 -0.501223 ________________________________________________________________________ Electrode charge exchange: 0.0781706118 Move Jump Cl: 0.93392 0.37099 Na: 0.93408 0.37038 ________________________________________________________________________ Create NaCl : 313036. / 854307. = 0.36642 Destroy NaCl : 313058. / 855610. = 0.36589 ________________________________________________________________________ Potential at left wall /kT = 1.17456003 Potential at right wall /kT = -1.20526844 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3633625 Potential at right wall /mV = -31.1572007 ________________________________________________________________________ Capacitance of left DL = 0.0382027544 Capacitance of right DL = 0.0372294062 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.29344288 Capacitance of right DL [F/m2] = 3.20953095 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.46780152 Adsorption of ion 1 on right wall = -3.78436368 Adsorption of ion 2 on left wall = -3.6689292 Adsorption of ion 2 on right wall = 5.34667811 ------------------------------------------------------------------------ net charge in left DL = -9.13673072 7.37819486 net charge in right DL = 9.13104179 -7.37819486 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.741075782 Relative adsorption of ion 1 on right wall = -0.512911864 Relative adsorption of ion 2 on left wall = -0.497266509 Relative adsorption of ion 2 on right wall = 0.72465938 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 290------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00802988541 Right electrode charge = -0.00802988541 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 168 -1.00 3.0000 1.5000 Na ion: 168 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99511 Bulk concentration of Na = 0.99512 ________________________________________________________________________ Average electrode charge 1 = 0.00792852573 Average electrode charge 2 = -0.00792852573 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330844 -0.510841 -0.501049 ________________________________________________________________________ Electrode charge exchange: 0.0781999423 Move Jump Cl: 0.93391 0.37114 Na: 0.93402 0.37045 ________________________________________________________________________ Create NaCl : 318511. / 869309. = 0.36640 Destroy NaCl : 318543. / 870464. = 0.36595 ________________________________________________________________________ Potential at left wall /kT = 1.16738601 Potential at right wall /kT = -1.19879078 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1779079 Potential at right wall /mV = -30.9897476 ________________________________________________________________________ Capacitance of left DL = 0.0478944861 Capacitance of right DL = 0.0466397923 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.31368232 Capacitance of right DL [F/m2] = 3.22687365 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.45052226 Adsorption of ion 1 on right wall = -3.76846337 Adsorption of ion 2 on left wall = -3.67556222 Adsorption of ion 2 on right wall = 5.35581881 ------------------------------------------------------------------------ net charge in left DL = -9.12608449 9.19348616 net charge in right DL = 9.12428218 -9.19348616 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.592867838 Relative adsorption of ion 1 on right wall = -0.409905807 Relative adsorption of ion 2 on left wall = -0.399800702 Relative adsorption of ion 2 on right wall = 0.582566691 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 295------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00799283356 Right electrode charge = -0.00799283356 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99505 Bulk concentration of Na = 0.99508 ________________________________________________________________________ Average electrode charge 1 = 0.00792882321 Average electrode charge 2 = -0.00792882321 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330740 -0.510841 -0.500944 ________________________________________________________________________ Electrode charge exchange: 0.0782086263 Move Jump Cl: 0.93397 0.37119 Na: 0.93403 0.37038 ________________________________________________________________________ Create NaCl : 324022. / 884409. = 0.36637 Destroy NaCl : 324029. / 885372. = 0.36598 ________________________________________________________________________ Potential at left wall /kT = 1.16082752 Potential at right wall /kT = -1.18937871 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0083655 Potential at right wall /mV = -30.7464377 ________________________________________________________________________ Capacitance of left DL = 0.0479428368 Capacitance of right DL = 0.0467919629 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33240409 Capacitance of right DL [F/m2] = 3.25240931 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.44554867 Adsorption of ion 1 on right wall = -3.78758974 Adsorption of ion 2 on left wall = -3.67758555 Adsorption of ion 2 on right wall = 5.32986869 ------------------------------------------------------------------------ net charge in left DL = -9.12313422 9.15106518 net charge in right DL = 9.11745843 -9.15106518 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.595072658 Relative adsorption of ion 1 on right wall = -0.413896052 Relative adsorption of ion 2 on left wall = -0.401875134 Relative adsorption of ion 2 on right wall = 0.582431508 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 300------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00807762827 Right electrode charge = -0.00807762827 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99527 Bulk concentration of Na = 0.99527 ________________________________________________________________________ Average electrode charge 1 = 0.00792105023 Average electrode charge 2 = -0.00792105023 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331152 -0.510841 -0.501357 ________________________________________________________________________ Electrode charge exchange: 0.0782109549 Move Jump Cl: 0.93404 0.37121 Na: 0.93401 0.37046 ________________________________________________________________________ Create NaCl : 329389. / 899351. = 0.36625 Destroy NaCl : 329395. / 900186. = 0.36592 ________________________________________________________________________ Potential at left wall /kT = 1.15417957 Potential at right wall /kT = -1.18254944 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8365105 Potential at right wall /mV = -30.5698954 ________________________________________________________________________ Capacitance of left DL = 0.0487305298 Capacitance of right DL = 0.0475614634 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35159837 Capacitance of right DL [F/m2] = 3.27119209 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.44475147 Adsorption of ion 1 on right wall = -3.78635742 Adsorption of ion 2 on left wall = -3.66171681 Adsorption of ion 2 on right wall = 5.32129541 ------------------------------------------------------------------------ net charge in left DL = -9.10646828 9.24814738 net charge in right DL = 9.10765283 -9.24814738 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.588739695 Relative adsorption of ion 1 on right wall = -0.409417936 Relative adsorption of ion 2 on left wall = -0.395940577 Relative adsorption of ion 2 on right wall = 0.575390421 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 305------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00946231055 Right electrode charge = -0.00946231055 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 208 -1.00 3.0000 1.5000 Na ion: 208 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99498 Bulk concentration of Na = 0.99507 ________________________________________________________________________ Average electrode charge 1 = 0.00791812762 Average electrode charge 2 = -0.00791812762 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330659 -0.510841 -0.500863 ________________________________________________________________________ Electrode charge exchange: 0.0782214249 Move Jump Cl: 0.93402 0.37121 Na: 0.93400 0.37044 ________________________________________________________________________ Create NaCl : 334915. / 914384. = 0.36627 Destroy NaCl : 334907. / 915165. = 0.36595 ________________________________________________________________________ Potential at left wall /kT = 1.1359031 Potential at right wall /kT = -1.16588981 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3640485 Potential at right wall /mV = -30.1392301 ________________________________________________________________________ Capacitance of left DL = 0.0580024801 Capacitance of right DL = 0.0565106552 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40552496 Capacitance of right DL [F/m2] = 3.31793479 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.44733899 Adsorption of ion 1 on right wall = -3.75038588 Adsorption of ion 2 on left wall = -3.654149 Adsorption of ion 2 on right wall = 5.33289171 ------------------------------------------------------------------------ net charge in left DL = -9.10148799 10.8334823 net charge in right DL = 9.08327759 -10.8334823 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.502824379 Relative adsorption of ion 1 on right wall = -0.346184707 Relative adsorption of ion 2 on left wall = -0.337301425 Relative adsorption of ion 2 on right wall = 0.49226016 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 310------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.010246552 Right electrode charge = -0.010246552 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 210 -1.00 3.0000 1.5000 Na ion: 210 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99496 Bulk concentration of Na = 0.99500 ________________________________________________________________________ Average electrode charge 1 = 0.00790519373 Average electrode charge 2 = -0.00790519373 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330569 -0.510841 -0.500773 ________________________________________________________________________ Electrode charge exchange: 0.0782382083 Move Jump Cl: 0.93413 0.37120 Na: 0.93403 0.37051 ________________________________________________________________________ Create NaCl : 340549. / 929459. = 0.36639 Destroy NaCl : 340539. / 930409. = 0.36601 ________________________________________________________________________ Potential at left wall /kT = 1.12535827 Potential at right wall /kT = -1.15563904 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0914556 Potential at right wall /mV = -29.8742389 ________________________________________________________________________ Capacitance of left DL = 0.0633982975 Capacitance of right DL = 0.0617370962 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43743542 Capacitance of right DL [F/m2] = 3.34736562 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.42602099 Adsorption of ion 1 on right wall = -3.74412578 Adsorption of ion 2 on left wall = -3.65016546 Adsorption of ion 2 on right wall = 5.32365981 ------------------------------------------------------------------------ net charge in left DL = -9.07618645 11.7313672 net charge in right DL = 9.06778559 -11.7313672 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.462522476 Relative adsorption of ion 1 on right wall = -0.31915511 Relative adsorption of ion 2 on left wall = -0.311145786 Relative adsorption of ion 2 on right wall = 0.453797049 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 315------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00884651976 Right electrode charge = -0.00884651976 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99498 Bulk concentration of Na = 0.99494 ________________________________________________________________________ Average electrode charge 1 = 0.00789605486 Average electrode charge 2 = -0.00789605486 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.330534 -0.510841 -0.500738 ________________________________________________________________________ Electrode charge exchange: 0.0782352752 Move Jump Cl: 0.93408 0.37121 Na: 0.93399 0.37044 ________________________________________________________________________ Create NaCl : 346150. / 944413. = 0.36652 Destroy NaCl : 346164. / 945391. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.12187703 Potential at right wall /kT = -1.15181637 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0014628 Potential at right wall /mV = -29.7754197 ________________________________________________________________________ Capacitance of left DL = 0.0549057525 Capacitance of right DL = 0.053478579 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44810194 Capacitance of right DL [F/m2] = 3.35847491 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.43552102 Adsorption of ion 1 on right wall = -3.7742557 Adsorption of ion 2 on left wall = -3.6206444 Adsorption of ion 2 on right wall = 5.28879846 ------------------------------------------------------------------------ net charge in left DL = -9.05616542 10.128458 net charge in right DL = 9.06305416 -10.128458 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.536658298 Relative adsorption of ion 1 on right wall = -0.372638728 Relative adsorption of ion 2 on left wall = -0.357472421 Relative adsorption of ion 2 on right wall = 0.522172128 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 320------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00699346745 Right electrode charge = -0.00699346745 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99560 Bulk concentration of Na = 0.99554 ________________________________________________________________________ Average electrode charge 1 = 0.00789132192 Average electrode charge 2 = -0.00789132192 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331754 -0.510841 -0.501959 ________________________________________________________________________ Electrode charge exchange: 0.0782287198 Move Jump Cl: 0.93407 0.37116 Na: 0.93399 0.37051 ________________________________________________________________________ Create NaCl : 351636. / 959348. = 0.36654 Destroy NaCl : 351643. / 960119. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.12346222 Potential at right wall /kT = -1.15390884 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0424412 Potential at right wall /mV = -29.8295119 ________________________________________________________________________ Capacitance of left DL = 0.0433435758 Capacitance of right DL = 0.0421999279 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44323672 Capacitance of right DL [F/m2] = 3.35238472 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.37170421 Adsorption of ion 1 on right wall = -3.81969371 Adsorption of ion 2 on left wall = -3.67864783 Adsorption of ion 2 on right wall = 5.24129279 ------------------------------------------------------------------------ net charge in left DL = -9.05035204 8.00688215 net charge in right DL = 9.0609865 -8.00688215 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.670885884 Relative adsorption of ion 1 on right wall = -0.477051321 Relative adsorption of ion 2 on left wall = -0.459435741 Relative adsorption of ion 2 on right wall = 0.654598468 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 325------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.007532657 Right electrode charge = -0.007532657 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99572 Bulk concentration of Na = 0.99574 ________________________________________________________________________ Average electrode charge 1 = 0.00789078161 Average electrode charge 2 = -0.00789078161 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332081 -0.510841 -0.502285 ________________________________________________________________________ Electrode charge exchange: 0.0782103358 Move Jump Cl: 0.93414 0.37111 Na: 0.93397 0.37051 ________________________________________________________________________ Create NaCl : 357106. / 974282. = 0.36653 Destroy NaCl : 357114. / 975159. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.12677104 Potential at right wall /kT = -1.15802757 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1279771 Potential at right wall /mV = -29.9359844 ________________________________________________________________________ Capacitance of left DL = 0.0465482295 Capacitance of right DL = 0.0452918382 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43312547 Capacitance of right DL [F/m2] = 3.34046138 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.37209481 Adsorption of ion 1 on right wall = -3.79979954 Adsorption of ion 2 on left wall = -3.6878914 Adsorption of ion 2 on right wall = 5.25563937 ------------------------------------------------------------------------ net charge in left DL = -9.05998621 8.624205 net charge in right DL = 9.05543892 -8.624205 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.622908989 Relative adsorption of ion 1 on right wall = -0.440597081 Relative adsorption of ion 2 on left wall = -0.427621027 Relative adsorption of ion 2 on right wall = 0.609405664 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 330------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0110017171 Right electrode charge = -0.0110017171 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99568 Bulk concentration of Na = 0.99562 ________________________________________________________________________ Average electrode charge 1 = 0.00788986276 Average electrode charge 2 = -0.00788986276 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.331908 -0.510841 -0.502113 ________________________________________________________________________ Electrode charge exchange: 0.0782226255 Move Jump Cl: 0.93412 0.37099 Na: 0.93388 0.37052 ________________________________________________________________________ Create NaCl : 362573. / 989339. = 0.36648 Destroy NaCl : 362584. / 989961. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.12469932 Potential at right wall /kT = -1.15747599 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0744211 Potential at right wall /mV = -29.9217257 ________________________________________________________________________ Capacitance of left DL = 0.0681105984 Capacitance of right DL = 0.0661818854 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43944939 Capacitance of right DL [F/m2] = 3.34205323 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.42494877 Adsorption of ion 1 on right wall = -3.82059769 Adsorption of ion 2 on left wall = -3.62516048 Adsorption of ion 2 on right wall = 5.24136831 ------------------------------------------------------------------------ net charge in left DL = -9.05010926 12.5959623 net charge in right DL = 9.061966 -12.5959623 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.430689505 Relative adsorption of ion 1 on right wall = -0.303319238 Relative adsorption of ion 2 on left wall = -0.287803376 Relative adsorption of ion 2 on right wall = 0.416114956 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 335------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00518600816 Right electrode charge = -0.00518600816 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99577 Bulk concentration of Na = 0.99579 ________________________________________________________________________ Average electrode charge 1 = 0.00788396651 Average electrode charge 2 = -0.00788396651 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332178 -0.510841 -0.502383 ________________________________________________________________________ Electrode charge exchange: 0.0782257231 Move Jump Cl: 0.93414 0.37094 Na: 0.93387 0.37050 ________________________________________________________________________ Create NaCl : 368061. / 1004399. = 0.36645 Destroy NaCl : 368083. / 1004954. = 0.36627 ________________________________________________________________________ Potential at left wall /kT = 1.12308702 Potential at right wall /kT = -1.15518083 ------------------------------------------------------------------------ Potential at left wall /mV = 29.032742 Potential at right wall /mV = -29.8623939 ________________________________________________________________________ Capacitance of left DL = 0.0321521811 Capacitance of right DL = 0.0312589133 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44438703 Capacitance of right DL [F/m2] = 3.34869336 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.42382045 Adsorption of ion 1 on right wall = -3.80588627 Adsorption of ion 2 on left wall = -3.62512922 Adsorption of ion 2 on right wall = 5.24080535 ------------------------------------------------------------------------ net charge in left DL = -9.04894967 5.93750619 net charge in right DL = 9.04669163 -5.93750619 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.913484597 Relative adsorption of ion 1 on right wall = -0.640990704 Relative adsorption of ion 2 on left wall = -0.610547443 Relative adsorption of ion 2 on right wall = 0.882661035 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 340------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0084612023 Right electrode charge = -0.0084612023 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99602 Bulk concentration of Na = 0.99596 ________________________________________________________________________ Average electrode charge 1 = 0.00786834232 Average electrode charge 2 = -0.00786834232 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332600 -0.510841 -0.502804 ________________________________________________________________________ Electrode charge exchange: 0.0782335325 Move Jump Cl: 0.93411 0.37094 Na: 0.93396 0.37061 ________________________________________________________________________ Create NaCl : 373581. / 1019424. = 0.36646 Destroy NaCl : 373574. / 1019970. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.1242291 Potential at right wall /kT = -1.15537344 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0622656 Potential at right wall /mV = -29.8673729 ________________________________________________________________________ Capacitance of left DL = 0.0524044189 Capacitance of right DL = 0.0509918013 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44088796 Capacitance of right DL [F/m2] = 3.34813512 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.37535529 Adsorption of ion 1 on right wall = -3.82561186 Adsorption of ion 2 on left wall = -3.65045477 Adsorption of ion 2 on right wall = 5.21125944 ------------------------------------------------------------------------ net charge in left DL = -9.02581007 9.68730465 net charge in right DL = 9.0368713 -9.68730465 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.554886575 Relative adsorption of ion 1 on right wall = -0.394909833 Relative adsorption of ion 2 on left wall = -0.376828737 Relative adsorption of ion 2 on right wall = 0.537947306 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 345------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0118708643 Right electrode charge = -0.0118708643 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99590 Bulk concentration of Na = 0.99587 ________________________________________________________________________ Average electrode charge 1 = 0.00786822303 Average electrode charge 2 = -0.00786822303 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332388 -0.510841 -0.502592 ________________________________________________________________________ Electrode charge exchange: 0.078227997 Move Jump Cl: 0.93420 0.37098 Na: 0.93400 0.37064 ________________________________________________________________________ Create NaCl : 379094. / 1034354. = 0.36650 Destroy NaCl : 379102. / 1035001. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.13984092 Potential at right wall /kT = -1.17091492 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4658444 Potential at right wall /mV = -30.2691333 ________________________________________________________________________ Capacitance of left DL = 0.0725151497 Capacitance of right DL = 0.0705907267 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.39375986 Capacitance of right DL [F/m2] = 3.30369551 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.37363964 Adsorption of ion 1 on right wall = -3.81626761 Adsorption of ion 2 on left wall = -3.66483449 Adsorption of ion 2 on right wall = 5.22737034 ------------------------------------------------------------------------ net charge in left DL = -9.03847413 13.5910566 net charge in right DL = 9.04363795 -13.5910566 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.395380566 Relative adsorption of ion 1 on right wall = -0.280792563 Relative adsorption of ion 2 on left wall = -0.269650448 Relative adsorption of ion 2 on right wall = 0.384618394 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 350------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00747632648 Right electrode charge = -0.00747632648 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99591 Bulk concentration of Na = 0.99593 ________________________________________________________________________ Average electrode charge 1 = 0.00786418406 Average electrode charge 2 = -0.00786418406 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332464 -0.510841 -0.502669 ________________________________________________________________________ Electrode charge exchange: 0.0782494031 Move Jump Cl: 0.93424 0.37100 Na: 0.93398 0.37064 ________________________________________________________________________ Create NaCl : 384631. / 1049258. = 0.36657 Destroy NaCl : 384646. / 1050123. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 1.14829505 Potential at right wall /kT = -1.17835784 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6843906 Potential at right wall /mV = -30.4615391 ________________________________________________________________________ Capacitance of left DL = 0.0453341439 Capacitance of right DL = 0.0441775589 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36877389 Capacitance of right DL [F/m2] = 3.28282821 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.36858856 Adsorption of ion 1 on right wall = -3.81392144 Adsorption of ion 2 on left wall = -3.67485058 Adsorption of ion 2 on right wall = 5.2255018 ------------------------------------------------------------------------ net charge in left DL = -9.04343914 8.5597117 net charge in right DL = 9.03942324 -8.5597117 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.627192684 Relative adsorption of ion 1 on right wall = -0.445566577 Relative adsorption of ion 2 on left wall = -0.429319434 Relative adsorption of ion 2 on right wall = 0.610476378 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 355------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0065362557 Right electrode charge = -0.0065362557 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99613 Bulk concentration of Na = 0.99603 ________________________________________________________________________ Average electrode charge 1 = 0.00784961273 Average electrode charge 2 = -0.00784961273 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332787 -0.510841 -0.502992 ________________________________________________________________________ Electrode charge exchange: 0.0782291796 Move Jump Cl: 0.93428 0.37092 Na: 0.93399 0.37064 ________________________________________________________________________ Create NaCl : 390127. / 1064301. = 0.36656 Destroy NaCl : 390124. / 1064854. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.14536645 Potential at right wall /kT = -1.17695758 ------------------------------------------------------------------------ Potential at left wall /mV = 29.608684 Potential at right wall /mV = -30.4253411 ________________________________________________________________________ Capacitance of left DL = 0.0397351839 Capacitance of right DL = 0.0386686381 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37738753 Capacitance of right DL [F/m2] = 3.2867339 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32735544 Adsorption of ion 1 on right wall = -3.81998446 Adsorption of ion 2 on left wall = -3.68732968 Adsorption of ion 2 on right wall = 5.21378769 ------------------------------------------------------------------------ net charge in left DL = -9.01468512 7.48341642 net charge in right DL = 9.03377215 -7.48341642 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.711888147 Relative adsorption of ion 1 on right wall = -0.510459962 Relative adsorption of ion 2 on left wall = -0.492733462 Relative adsorption of ion 2 on right wall = 0.696712223 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 360------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00697306824 Right electrode charge = -0.00697306824 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99619 Bulk concentration of Na = 0.99609 ________________________________________________________________________ Average electrode charge 1 = 0.00784817279 Average electrode charge 2 = -0.00784817279 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.332900 -0.510841 -0.503105 ________________________________________________________________________ Electrode charge exchange: 0.0782226635 Move Jump Cl: 0.93431 0.37100 Na: 0.93396 0.37063 ________________________________________________________________________ Create NaCl : 395647. / 1079423. = 0.36654 Destroy NaCl : 395649. / 1079786. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.1469256 Potential at right wall /kT = -1.17715754 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6489892 Potential at right wall /mV = -30.4305102 ________________________________________________________________________ Capacitance of left DL = 0.0423330269 Capacitance of right DL = 0.0412458236 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37279627 Capacitance of right DL [F/m2] = 3.28617559 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31782798 Adsorption of ion 1 on right wall = -3.81202272 Adsorption of ion 2 on left wall = -3.69623787 Adsorption of ion 2 on right wall = 5.21987254 ------------------------------------------------------------------------ net charge in left DL = -9.01406585 7.98352693 net charge in right DL = 9.03189526 -7.98352693 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.666100087 Relative adsorption of ion 1 on right wall = -0.477486047 Relative adsorption of ion 2 on left wall = -0.462983078 Relative adsorption of ion 2 on right wall = 0.653830393 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 365------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806417395 Right electrode charge = -0.00806417395 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99665 Bulk concentration of Na = 0.99646 ________________________________________________________________________ Average electrode charge 1 = 0.00785432387 Average electrode charge 2 = -0.00785432387 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.333729 -0.510841 -0.503934 ________________________________________________________________________ Electrode charge exchange: 0.0782018657 Move Jump Cl: 0.93423 0.37091 Na: 0.93390 0.37051 ________________________________________________________________________ Create NaCl : 400998. / 1094364. = 0.36642 Destroy NaCl : 401005. / 1094782. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 1.14428332 Potential at right wall /kT = -1.17427224 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5806842 Potential at right wall /mV = -30.3559229 ________________________________________________________________________ Capacitance of left DL = 0.0490701031 Capacitance of right DL = 0.047816936 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38058441 Capacitance of right DL [F/m2] = 3.29425003 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.29878184 Adsorption of ion 1 on right wall = -3.81447501 Adsorption of ion 2 on left wall = -3.71092304 Adsorption of ion 2 on right wall = 5.23205116 ------------------------------------------------------------------------ net charge in left DL = -9.00970488 9.23274341 net charge in right DL = 9.04652617 -9.23274341 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.573911958 Relative adsorption of ion 1 on right wall = -0.413146433 Relative adsorption of ion 2 on left wall = -0.401930702 Relative adsorption of ion 2 on right wall = 0.566684346 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 370------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0083459701 Right electrode charge = -0.0083459701 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 208 -1.00 3.0000 1.5000 Na ion: 208 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99670 Bulk concentration of Na = 0.99657 ________________________________________________________________________ Average electrode charge 1 = 0.00785845482 Average electrode charge 2 = -0.00785845482 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.333893 -0.510841 -0.504098 ________________________________________________________________________ Electrode charge exchange: 0.0782272641 Move Jump Cl: 0.93422 0.37087 Na: 0.93387 0.37055 ________________________________________________________________________ Create NaCl : 406589. / 1109481. = 0.36647 Destroy NaCl : 406581. / 1109735. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.15709417 Potential at right wall /kT = -1.18726596 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9118552 Potential at right wall /mV = -30.6918215 ________________________________________________________________________ Capacitance of left DL = 0.0502225516 Capacitance of right DL = 0.048946254 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34315606 Capacitance of right DL [F/m2] = 3.25819697 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.27448269 Adsorption of ion 1 on right wall = -3.80698691 Adsorption of ion 2 on left wall = -3.75268681 Adsorption of ion 2 on right wall = 5.24706837 ------------------------------------------------------------------------ net charge in left DL = -9.0271695 9.5553743 net charge in right DL = 9.05405528 -9.5553743 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.551991217 Relative adsorption of ion 1 on right wall = -0.398413164 Relative adsorption of ion 2 on left wall = -0.392730488 Relative adsorption of ion 2 on right wall = 0.549122222 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 375------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00765789647 Right electrode charge = -0.00765789647 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99667 Bulk concentration of Na = 0.99656 ________________________________________________________________________ Average electrode charge 1 = 0.0078503977 Average electrode charge 2 = -0.0078503977 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.333852 -0.510841 -0.504057 ________________________________________________________________________ Electrode charge exchange: 0.0782191598 Move Jump Cl: 0.93423 0.37084 Na: 0.93391 0.37055 ________________________________________________________________________ Create NaCl : 412095. / 1124437. = 0.36649 Destroy NaCl : 412095. / 1124750. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.15348974 Potential at right wall /kT = -1.18215966 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8186779 Potential at right wall /mV = -30.5598193 ________________________________________________________________________ Capacitance of left DL = 0.0462260097 Capacitance of right DL = 0.0451049295 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35360274 Capacitance of right DL [F/m2] = 3.27227066 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.27741633 Adsorption of ion 1 on right wall = -3.83177167 Adsorption of ion 2 on left wall = -3.74184844 Adsorption of ion 2 on right wall = 5.20780889 ------------------------------------------------------------------------ net charge in left DL = -9.01926477 8.76759276 net charge in right DL = 9.03958057 -8.76759276 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.601923067 Relative adsorption of ion 1 on right wall = -0.437038053 Relative adsorption of ion 2 on left wall = -0.426781734 Relative adsorption of ion 2 on right wall = 0.593983894 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 380------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0104223537 Right electrode charge = -0.0104223537 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99692 Bulk concentration of Na = 0.99674 ________________________________________________________________________ Average electrode charge 1 = 0.00785080841 Average electrode charge 2 = -0.00785080841 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334284 -0.510841 -0.504488 ________________________________________________________________________ Electrode charge exchange: 0.078201838 Move Jump Cl: 0.93422 0.37080 Na: 0.93388 0.37053 ________________________________________________________________________ Create NaCl : 417517. / 1139362. = 0.36645 Destroy NaCl : 417527. / 1139730. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 1.1539079 Potential at right wall /kT = -1.18320051 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8294876 Potential at right wall /mV = -30.5867262 ________________________________________________________________________ Capacitance of left DL = 0.0628905386 Capacitance of right DL = 0.0613335513 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35238745 Capacitance of right DL [F/m2] = 3.26939207 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.28834957 Adsorption of ion 1 on right wall = -3.85969122 Adsorption of ion 2 on left wall = -3.7250209 Adsorption of ion 2 on right wall = 5.18735805 ------------------------------------------------------------------------ net charge in left DL = -9.01337047 11.9326441 net charge in right DL = 9.04704927 -11.9326441 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.443183382 Relative adsorption of ion 1 on right wall = -0.323456494 Relative adsorption of ion 2 on left wall = -0.31217062 Relative adsorption of ion 2 on right wall = 0.434719916 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 385------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00876051564 Right electrode charge = -0.00876051564 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99701 Bulk concentration of Na = 0.99685 ________________________________________________________________________ Average electrode charge 1 = 0.00785490531 Average electrode charge 2 = -0.00785490531 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334493 -0.510841 -0.504697 ________________________________________________________________________ Electrode charge exchange: 0.078208359 Move Jump Cl: 0.93427 0.37085 Na: 0.93385 0.37044 ________________________________________________________________________ Create NaCl : 423062. / 1154561. = 0.36643 Destroy NaCl : 423074. / 1154646. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.15915647 Potential at right wall /kT = -1.18791635 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9651675 Potential at right wall /mV = -30.7086345 ________________________________________________________________________ Capacitance of left DL = 0.0526233217 Capacitance of right DL = 0.0513492923 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33720811 Capacitance of right DL [F/m2] = 3.25641311 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.2601397 Adsorption of ion 1 on right wall = -3.83013541 Adsorption of ion 2 on left wall = -3.76182583 Adsorption of ion 2 on right wall = 5.22296357 ------------------------------------------------------------------------ net charge in left DL = -9.02196553 10.0299911 net charge in right DL = 9.05309898 -10.0299911 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.524441113 Relative adsorption of ion 1 on right wall = -0.381868275 Relative adsorption of ion 2 on left wall = -0.375057743 Relative adsorption of ion 2 on right wall = 0.520734616 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 390------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00866064358 Right electrode charge = -0.00866064358 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99707 Bulk concentration of Na = 0.99691 ________________________________________________________________________ Average electrode charge 1 = 0.00786741067 Average electrode charge 2 = -0.00786741067 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334605 -0.510841 -0.504809 ________________________________________________________________________ Electrode charge exchange: 0.0781836047 Move Jump Cl: 0.93431 0.37079 Na: 0.93382 0.37039 ________________________________________________________________________ Create NaCl : 428568. / 1169570. = 0.36643 Destroy NaCl : 428579. / 1169686. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.16985626 Potential at right wall /kT = -1.19956118 ------------------------------------------------------------------------ Potential at left wall /mV = 30.241766 Potential at right wall /mV = -31.0096632 ________________________________________________________________________ Capacitance of left DL = 0.0515475841 Capacitance of right DL = 0.0502711032 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3066852 Capacitance of right DL [F/m2] = 3.22480123 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.27193932 Adsorption of ion 1 on right wall = -3.8521626 Adsorption of ion 2 on left wall = -3.77014384 Adsorption of ion 2 on right wall = 5.22197176 ------------------------------------------------------------------------ net charge in left DL = -9.04208316 9.91564672 net charge in right DL = 9.07413436 -9.91564672 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.531678818 Relative adsorption of ion 1 on right wall = -0.388493329 Relative adsorption of ion 2 on left wall = -0.380221678 Relative adsorption of ion 2 on right wall = 0.526639554 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 395------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00802428378 Right electrode charge = -0.00802428378 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99697 Bulk concentration of Na = 0.99685 ________________________________________________________________________ Average electrode charge 1 = 0.00786442831 Average electrode charge 2 = -0.00786442831 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334442 -0.510841 -0.504646 ________________________________________________________________________ Electrode charge exchange: 0.0782116992 Move Jump Cl: 0.93435 0.37079 Na: 0.93380 0.37041 ________________________________________________________________________ Create NaCl : 434015. / 1184491. = 0.36641 Destroy NaCl : 434017. / 1184627. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.17648513 Potential at right wall /kT = -1.20549276 ------------------------------------------------------------------------ Potential at left wall /mV = 30.413128 Potential at right wall /mV = -31.1629996 ________________________________________________________________________ Capacitance of left DL = 0.0474909097 Capacitance of right DL = 0.0463481415 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.28805377 Capacitance of right DL [F/m2] = 3.20893372 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.28875117 Adsorption of ion 1 on right wall = -3.84449039 Adsorption of ion 2 on left wall = -3.75901407 Adsorption of ion 2 on right wall = 5.22580724 ------------------------------------------------------------------------ net charge in left DL = -9.04776524 9.18707281 net charge in right DL = 9.07029763 -9.18707281 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.575673153 Relative adsorption of ion 1 on right wall = -0.418467391 Relative adsorption of ion 2 on left wall = -0.409163413 Relative adsorption of ion 2 on right wall = 0.568821794 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 400------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00836703727 Right electrode charge = -0.00836703727 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99669 Bulk concentration of Na = 0.99651 ________________________________________________________________________ Average electrode charge 1 = 0.00786829132 Average electrode charge 2 = -0.00786829132 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.333822 -0.510841 -0.504027 ________________________________________________________________________ Electrode charge exchange: 0.0781902993 Move Jump Cl: 0.93432 0.37076 Na: 0.93380 0.37042 ________________________________________________________________________ Create NaCl : 439494. / 1199514. = 0.36639 Destroy NaCl : 439498. / 1199769. = 0.36632 ________________________________________________________________________ Potential at left wall /kT = 1.17325755 Potential at right wall /kT = -1.20447509 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3296921 Potential at right wall /mV = -31.1366918 ________________________________________________________________________ Capacitance of left DL = 0.0496556876 Capacitance of right DL = 0.0483687133 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.29709908 Capacitance of right DL [F/m2] = 3.21164498 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.29801773 Adsorption of ion 1 on right wall = -3.83079165 Adsorption of ion 2 on left wall = -3.74682214 Adsorption of ion 2 on right wall = 5.24843432 ------------------------------------------------------------------------ net charge in left DL = -9.04483987 9.57949428 net charge in right DL = 9.07922597 -9.57949428 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.553058186 Relative adsorption of ion 1 on right wall = -0.399894977 Relative adsorption of ion 2 on left wall = -0.39112943 Relative adsorption of ion 2 on right wall = 0.547882191 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 405------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00703997808 Right electrode charge = -0.00703997808 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 183 -1.00 3.0000 1.5000 Na ion: 183 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99675 Bulk concentration of Na = 0.99665 ________________________________________________________________________ Average electrode charge 1 = 0.00787512983 Average electrode charge 2 = -0.00787512983 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334023 -0.510841 -0.504228 ________________________________________________________________________ Electrode charge exchange: 0.0782136757 Move Jump Cl: 0.93427 0.37076 Na: 0.93381 0.37040 ________________________________________________________________________ Create NaCl : 444982. / 1214614. = 0.36636 Destroy NaCl : 444999. / 1214738. = 0.36633 ________________________________________________________________________ Potential at left wall /kT = 1.17213139 Potential at right wall /kT = -1.20208399 ------------------------------------------------------------------------ Potential at left wall /mV = 30.3005801 Potential at right wall /mV = -31.0748798 ________________________________________________________________________ Capacitance of left DL = 0.0418201573 Capacitance of right DL = 0.0407781152 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.30026685 Capacitance of right DL [F/m2] = 3.21803336 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.3073299 Adsorption of ion 1 on right wall = -3.82753327 Adsorption of ion 2 on left wall = -3.75119045 Adsorption of ion 2 on right wall = 5.25001017 ------------------------------------------------------------------------ net charge in left DL = -9.05852035 8.06013259 net charge in right DL = 9.07754343 -8.06013259 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.658466823 Relative adsorption of ion 1 on right wall = -0.474872246 Relative adsorption of ion 2 on left wall = -0.465400589 Relative adsorption of ion 2 on right wall = 0.651355311 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 410------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0107402538 Right electrode charge = -0.0107402538 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99699 Bulk concentration of Na = 0.99695 ________________________________________________________________________ Average electrode charge 1 = 0.00788264999 Average electrode charge 2 = -0.00788264999 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334575 -0.510841 -0.504780 ________________________________________________________________________ Electrode charge exchange: 0.0782152419 Move Jump Cl: 0.93426 0.37071 Na: 0.93379 0.37036 ________________________________________________________________________ Create NaCl : 450495. / 1229722. = 0.36634 Destroy NaCl : 450511. / 1229708. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.17608457 Potential at right wall /kT = -1.20668928 ------------------------------------------------------------------------ Potential at left wall /mV = 30.4027731 Potential at right wall /mV = -31.1939306 ________________________________________________________________________ Capacitance of left DL = 0.0635867522 Capacitance of right DL = 0.0619740303 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.28917364 Capacitance of right DL [F/m2] = 3.20575182 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32815588 Adsorption of ion 1 on right wall = -3.8634362 Adsorption of ion 2 on left wall = -3.74664857 Adsorption of ion 2 on right wall = 5.21936424 ------------------------------------------------------------------------ net charge in left DL = -9.07480444 12.2966106 net charge in right DL = 9.08280043 -12.2966106 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.433302804 Relative adsorption of ion 1 on right wall = -0.31418708 Relative adsorption of ion 2 on left wall = -0.304689534 Relative adsorption of ion 2 on right wall = 0.424455518 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 415------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00777462632 Right electrode charge = -0.00777462632 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99704 Bulk concentration of Na = 0.99702 ________________________________________________________________________ Average electrode charge 1 = 0.00788933081 Average electrode charge 2 = -0.00788933081 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334690 -0.510841 -0.504894 ________________________________________________________________________ Electrode charge exchange: 0.0782170017 Move Jump Cl: 0.93422 0.37069 Na: 0.93373 0.37030 ________________________________________________________________________ Create NaCl : 455959. / 1244707. = 0.36632 Destroy NaCl : 455955. / 1244626. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 1.1810443 Potential at right wall /kT = -1.21185197 ------------------------------------------------------------------------ Potential at left wall /mV = 30.5309864 Potential at right wall /mV = -31.3273905 ________________________________________________________________________ Capacitance of left DL = 0.0458357126 Capacitance of right DL = 0.0446704784 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.27536093 Capacitance of right DL [F/m2] = 3.19209479 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.36971379 Adsorption of ion 1 on right wall = -3.86876452 Adsorption of ion 2 on left wall = -3.71733133 Adsorption of ion 2 on right wall = 5.22221284 ------------------------------------------------------------------------ net charge in left DL = -9.08704512 8.90123779 net charge in right DL = 9.09097737 -8.90123779 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.603254728 Relative adsorption of ion 1 on right wall = -0.434632195 Relative adsorption of ion 2 on left wall = -0.417619596 Relative adsorption of ion 2 on right wall = 0.586683893 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 420------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0065308926 Right electrode charge = -0.0065308926 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 176 -1.00 3.0000 1.5000 Na ion: 176 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99711 Bulk concentration of Na = 0.99714 ________________________________________________________________________ Average electrode charge 1 = 0.00788215864 Average electrode charge 2 = -0.00788215864 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334876 -0.510841 -0.505081 ________________________________________________________________________ Electrode charge exchange: 0.07820506 Move Jump Cl: 0.93423 0.37071 Na: 0.93375 0.37035 ________________________________________________________________________ Create NaCl : 461501. / 1259806. = 0.36633 Destroy NaCl : 461525. / 1259631. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.16838515 Potential at right wall /kT = -1.19910624 ------------------------------------------------------------------------ Potential at left wall /mV = 30.2037365 Potential at right wall /mV = -30.9979027 ________________________________________________________________________ Capacitance of left DL = 0.0389203886 Capacitance of right DL = 0.0379232484 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.31084864 Capacitance of right DL [F/m2] = 3.22602471 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32077933 Adsorption of ion 1 on right wall = -3.85231789 Adsorption of ion 2 on left wall = -3.75611356 Adsorption of ion 2 on right wall = 5.21734954 ------------------------------------------------------------------------ net charge in left DL = -9.07689289 7.47727616 net charge in right DL = 9.06966743 -7.47727616 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.711593261 Relative adsorption of ion 1 on right wall = -0.515203372 Relative adsorption of ion 2 on left wall = -0.502337144 Relative adsorption of ion 2 on right wall = 0.697760712 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 425------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0063431222 Right electrode charge = -0.0063431222 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99683 Bulk concentration of Na = 0.99697 ________________________________________________________________________ Average electrode charge 1 = 0.00787491303 Average electrode charge 2 = -0.00787491303 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334431 -0.510841 -0.504636 ________________________________________________________________________ Electrode charge exchange: 0.0781762344 Move Jump Cl: 0.93427 0.37079 Na: 0.93376 0.37046 ________________________________________________________________________ Create NaCl : 467116. / 1274682. = 0.36646 Destroy NaCl : 467135. / 1274855. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.15554737 Potential at right wall /kT = -1.18564726 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8718693 Potential at right wall /mV = -30.6499768 ________________________________________________________________________ Capacitance of left DL = 0.038221346 Capacitance of right DL = 0.037251025 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34763115 Capacitance of right DL [F/m2] = 3.26264522 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32167047 Adsorption of ion 1 on right wall = -3.84585169 Adsorption of ion 2 on left wall = -3.74924029 Adsorption of ion 2 on right wall = 5.19799638 ------------------------------------------------------------------------ net charge in left DL = -9.07091076 7.26229618 net charge in right DL = 9.04384807 -7.26229618 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.732780699 Relative adsorption of ion 1 on right wall = -0.529564148 Relative adsorption of ion 2 on left wall = -0.516261 Relative adsorption of ion 2 on right wall = 0.715751086 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 430------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00244344357 Right electrode charge = -0.00244344357 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99706 Bulk concentration of Na = 0.99719 ________________________________________________________________________ Average electrode charge 1 = 0.00787476588 Average electrode charge 2 = -0.00787476588 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334883 -0.510841 -0.505087 ________________________________________________________________________ Electrode charge exchange: 0.0781650437 Move Jump Cl: 0.93423 0.37083 Na: 0.93375 0.37042 ________________________________________________________________________ Create NaCl : 472586. / 1289697. = 0.36643 Destroy NaCl : 472596. / 1289881. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.1550046 Potential at right wall /kT = -1.18476998 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8578381 Potential at right wall /mV = -30.6272982 ________________________________________________________________________ Capacitance of left DL = 0.0147302207 Capacitance of right DL = 0.0143601483 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34920431 Capacitance of right DL [F/m2] = 3.2650611 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31008162 Adsorption of ion 1 on right wall = -3.83315947 Adsorption of ion 2 on left wall = -3.75981374 Adsorption of ion 2 on right wall = 5.21088858 ------------------------------------------------------------------------ net charge in left DL = -9.06989536 2.79751995 net charge in right DL = 9.04404805 -2.79751995 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.89813896 Relative adsorption of ion 1 on right wall = -1.37019915 Relative adsorption of ion 2 on left wall = -1.34398103 Relative adsorption of ion 2 on right wall = 1.86268147 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 435------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00841780627 Right electrode charge = -0.00841780627 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99713 Bulk concentration of Na = 0.99722 ________________________________________________________________________ Average electrode charge 1 = 0.00788055908 Average electrode charge 2 = -0.00788055908 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334978 -0.510841 -0.505183 ________________________________________________________________________ Electrode charge exchange: 0.0781650011 Move Jump Cl: 0.93424 0.37081 Na: 0.93379 0.37039 ________________________________________________________________________ Create NaCl : 478178. / 1304901. = 0.36645 Destroy NaCl : 478167. / 1305156. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.15259107 Potential at right wall /kT = -1.18087228 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7954465 Potential at right wall /mV = -30.5265394 ________________________________________________________________________ Capacitance of left DL = 0.0508527364 Capacitance of right DL = 0.0496348429 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35621754 Capacitance of right DL [F/m2] = 3.27583807 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31022664 Adsorption of ion 1 on right wall = -3.82168294 Adsorption of ion 2 on left wall = -3.76037358 Adsorption of ion 2 on right wall = 5.2295816 ------------------------------------------------------------------------ net charge in left DL = -9.07060022 9.63762016 net charge in right DL = 9.05126454 -9.63762016 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55098941 Relative adsorption of ion 1 on right wall = -0.396538033 Relative adsorption of ion 2 on left wall = -0.39017657 Relative adsorption of ion 2 on right wall = 0.542621675 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 440------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0067059997 Right electrode charge = -0.0067059997 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99700 Bulk concentration of Na = 0.99699 ________________________________________________________________________ Average electrode charge 1 = 0.00787685355 Average electrode charge 2 = -0.00787685355 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334620 -0.510841 -0.504825 ________________________________________________________________________ Electrode charge exchange: 0.0781656448 Move Jump Cl: 0.93429 0.37083 Na: 0.93379 0.37048 ________________________________________________________________________ Create NaCl : 483659. / 1319790. = 0.36647 Destroy NaCl : 483678. / 1320182. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.15669032 Potential at right wall /kT = -1.18486122 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9014156 Potential at right wall /mV = -30.6296569 ________________________________________________________________________ Capacitance of left DL = 0.0403679857 Capacitance of right DL = 0.0394082089 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34432327 Capacitance of right DL [F/m2] = 3.26480967 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31376871 Adsorption of ion 1 on right wall = -3.82145819 Adsorption of ion 2 on left wall = -3.74426027 Adsorption of ion 2 on right wall = 5.23939276 ------------------------------------------------------------------------ net charge in left DL = -9.05802898 7.67775782 net charge in right DL = 9.06085094 -7.67775782 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.692099026 Relative adsorption of ion 1 on right wall = -0.497731015 Relative adsorption of ion 2 on left wall = -0.487676267 Relative adsorption of ion 2 on right wall = 0.682411829 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 445------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00954427973 Right electrode charge = -0.00954427973 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99707 Bulk concentration of Na = 0.99707 ________________________________________________________________________ Average electrode charge 1 = 0.00788122349 Average electrode charge 2 = -0.00788122349 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334762 -0.510841 -0.504966 ________________________________________________________________________ Electrode charge exchange: 0.07816992 Move Jump Cl: 0.93426 0.37081 Na: 0.93379 0.37044 ________________________________________________________________________ Create NaCl : 489136. / 1334627. = 0.36650 Destroy NaCl : 489135. / 1335254. = 0.36632 ________________________________________________________________________ Potential at left wall /kT = 1.14965829 Potential at right wall /kT = -1.17738345 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7196315 Potential at right wall /mV = -30.4363502 ________________________________________________________________________ Capacitance of left DL = 0.0578049511 Capacitance of right DL = 0.0564437533 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36477927 Capacitance of right DL [F/m2] = 3.28554505 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.31210108 Adsorption of ion 1 on right wall = -3.8185066 Adsorption of ion 2 on left wall = -3.74778642 Adsorption of ion 2 on right wall = 5.24067669 ------------------------------------------------------------------------ net charge in left DL = -9.0598875 10.9273295 net charge in right DL = 9.05918329 -10.9273295 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.486129853 Relative adsorption of ion 1 on right wall = -0.349445544 Relative adsorption of ion 2 on left wall = -0.342973681 Relative adsorption of ion 2 on right wall = 0.479593545 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 450------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00867405637 Right electrode charge = -0.00867405637 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99696 Bulk concentration of Na = 0.99693 ________________________________________________________________________ Average electrode charge 1 = 0.00787991585 Average electrode charge 2 = -0.00787991585 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334516 -0.510841 -0.504720 ________________________________________________________________________ Electrode charge exchange: 0.0781428122 Move Jump Cl: 0.93421 0.37075 Na: 0.93376 0.37045 ________________________________________________________________________ Create NaCl : 494595. / 1349497. = 0.36650 Destroy NaCl : 494593. / 1350311. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.15417629 Potential at right wall /kT = -1.18384982 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8364258 Potential at right wall /mV = -30.6035113 ________________________________________________________________________ Capacitance of left DL = 0.052328796 Capacitance of right DL = 0.0510171603 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35160789 Capacitance of right DL [F/m2] = 3.26759891 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.32016117 Adsorption of ion 1 on right wall = -3.81332309 Adsorption of ion 2 on left wall = -3.73935272 Adsorption of ion 2 on right wall = 5.2505208 ------------------------------------------------------------------------ net charge in left DL = -9.05951389 9.93100314 net charge in right DL = 9.06384389 -9.93100314 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.535712364 Relative adsorption of ion 1 on right wall = -0.383981662 Relative adsorption of ion 2 on left wall = -0.376533233 Relative adsorption of ion 2 on right wall = 0.528699943 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 455------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00822363908 Right electrode charge = -0.00822363908 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99687 Bulk concentration of Na = 0.99684 ________________________________________________________________________ Average electrode charge 1 = 0.00788313027 Average electrode charge 2 = -0.00788313027 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334337 -0.510841 -0.504541 ________________________________________________________________________ Electrode charge exchange: 0.0781330725 Move Jump Cl: 0.93426 0.37081 Na: 0.93383 0.37046 ________________________________________________________________________ Create NaCl : 500174. / 1364293. = 0.36662 Destroy NaCl : 500180. / 1365567. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.15227138 Potential at right wall /kT = -1.18125503 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7871822 Potential at right wall /mV = -30.5364338 ________________________________________________________________________ Capacitance of left DL = 0.0496935381 Capacitance of right DL = 0.0484742417 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3571487 Capacitance of right DL [F/m2] = 3.27477664 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.30900796 Adsorption of ion 1 on right wall = -3.83235504 Adsorption of ion 2 on left wall = -3.75260048 Adsorption of ion 2 on right wall = 5.23330172 ------------------------------------------------------------------------ net charge in left DL = -9.06160844 9.41531644 net charge in right DL = 9.06565676 -9.41531644 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.563869308 Relative adsorption of ion 1 on right wall = -0.40703412 Relative adsorption of ion 2 on left wall = -0.398563394 Relative adsorption of ion 2 on right wall = 0.555828554 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 460------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00840205528 Right electrode charge = -0.00840205528 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99702 Bulk concentration of Na = 0.99706 ________________________________________________________________________ Average electrode charge 1 = 0.00788036425 Average electrode charge 2 = -0.00788036425 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334709 -0.510841 -0.504913 ________________________________________________________________________ Electrode charge exchange: 0.0781197155 Move Jump Cl: 0.93429 0.37081 Na: 0.93393 0.37045 ________________________________________________________________________ Create NaCl : 505742. / 1379215. = 0.36669 Destroy NaCl : 505742. / 1380606. = 0.36632 ________________________________________________________________________ Potential at left wall /kT = 1.1562827 Potential at right wall /kT = -1.18667001 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8908782 Potential at right wall /mV = -30.6764156 ________________________________________________________________________ Capacitance of left DL = 0.0505955311 Capacitance of right DL = 0.0492999207 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34550225 Capacitance of right DL [F/m2] = 3.25983327 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.26847847 Adsorption of ion 1 on right wall = -3.80142642 Adsorption of ion 2 on left wall = -3.79880596 Adsorption of ion 2 on right wall = 5.25804567 ------------------------------------------------------------------------ net charge in left DL = -9.06728443 9.61958671 net charge in right DL = 9.05947209 -9.61958671 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.547682414 Relative adsorption of ion 1 on right wall = -0.395175649 Relative adsorption of ion 2 on left wall = -0.39490324 Relative adsorption of ion 2 on right wall = 0.546597877 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 465------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00775947609 Right electrode charge = -0.00775947609 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99705 Bulk concentration of Na = 0.99704 ________________________________________________________________________ Average electrode charge 1 = 0.00788103778 Average electrode charge 2 = -0.00788103778 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334709 -0.510841 -0.504914 ________________________________________________________________________ Electrode charge exchange: 0.0781296058 Move Jump Cl: 0.93426 0.37078 Na: 0.93390 0.37037 ________________________________________________________________________ Create NaCl : 511204. / 1394166. = 0.36667 Destroy NaCl : 511204. / 1395722. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15035139 Potential at right wall /kT = -1.18219303 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7375488 Potential at right wall /mV = -30.5606819 ________________________________________________________________________ Capacitance of left DL = 0.0469669686 Capacitance of right DL = 0.0457019423 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36275194 Capacitance of right DL [F/m2] = 3.27217829 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25104592 Adsorption of ion 1 on right wall = -3.795791 Adsorption of ion 2 on left wall = -3.8085107 Adsorption of ion 2 on right wall = 5.26584701 ------------------------------------------------------------------------ net charge in left DL = -9.05955662 8.88389216 net charge in right DL = 9.06163801 -8.88389216 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.591074928 Relative adsorption of ion 1 on right wall = -0.427266667 Relative adsorption of ion 2 on left wall = -0.428698438 Relative adsorption of ion 2 on right wall = 0.592740987 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 470------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00600340262 Right electrode charge = -0.00600340262 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 210 -1.00 3.0000 1.5000 Na ion: 210 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99726 Bulk concentration of Na = 0.99726 ________________________________________________________________________ Average electrode charge 1 = 0.00788010875 Average electrode charge 2 = -0.00788010875 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335150 -0.510841 -0.505354 ________________________________________________________________________ Electrode charge exchange: 0.0781473456 Move Jump Cl: 0.93421 0.37067 Na: 0.93390 0.37037 ________________________________________________________________________ Create NaCl : 516655. / 1409157. = 0.36664 Destroy NaCl : 516645. / 1410835. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.1551919 Potential at right wall /kT = -1.18676739 ------------------------------------------------------------------------ Potential at left wall /mV = 29.86268 Potential at right wall /mV = -30.6789329 ________________________________________________________________________ Capacitance of left DL = 0.0361854509 Capacitance of right DL = 0.0352226899 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34866127 Capacitance of right DL [F/m2] = 3.25956578 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24793481 Adsorption of ion 1 on right wall = -3.81790668 Adsorption of ion 2 on left wall = -3.81396578 Adsorption of ion 2 on right wall = 5.24519876 ------------------------------------------------------------------------ net charge in left DL = -9.06190059 6.87334826 net charge in right DL = 9.06310544 -6.87334826 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.76351941 Relative adsorption of ion 1 on right wall = -0.555465333 Relative adsorption of ion 2 on left wall = -0.554891974 Relative adsorption of ion 2 on right wall = 0.763121344 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 475------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00635535647 Right electrode charge = -0.00635535647 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99733 Bulk concentration of Na = 0.99729 ________________________________________________________________________ Average electrode charge 1 = 0.00788382048 Average electrode charge 2 = -0.00788382048 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335251 -0.510841 -0.505455 ________________________________________________________________________ Electrode charge exchange: 0.0781247858 Move Jump Cl: 0.93423 0.37067 Na: 0.93388 0.37035 ________________________________________________________________________ Create NaCl : 522140. / 1424184. = 0.36662 Destroy NaCl : 522149. / 1425684. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.1569949 Potential at right wall /kT = -1.18705355 ------------------------------------------------------------------------ Potential at left wall /mV = 29.909289 Potential at right wall /mV = -30.6863305 ________________________________________________________________________ Capacitance of left DL = 0.038247154 Capacitance of right DL = 0.0372786568 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3434429 Capacitance of right DL [F/m2] = 3.25878 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25237678 Adsorption of ion 1 on right wall = -3.81477235 Adsorption of ion 2 on left wall = -3.81150684 Adsorption of ion 2 on right wall = 5.25577211 ------------------------------------------------------------------------ net charge in left DL = -9.06388361 7.2763033 net charge in right DL = 9.07054446 -7.2763033 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.721846872 Relative adsorption of ion 1 on right wall = -0.52427341 Relative adsorption of ion 2 on left wall = -0.523824623 Relative adsorption of ion 2 on right wall = 0.722313501 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 480------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00946531335 Right electrode charge = -0.00946531335 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99749 Bulk concentration of Na = 0.99742 ________________________________________________________________________ Average electrode charge 1 = 0.00788357224 Average electrode charge 2 = -0.00788357224 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335541 -0.510841 -0.505746 ________________________________________________________________________ Electrode charge exchange: 0.0781214743 Move Jump Cl: 0.93424 0.37065 Na: 0.93387 0.37031 ________________________________________________________________________ Create NaCl : 527593. / 1439133. = 0.36660 Destroy NaCl : 527607. / 1440654. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15484492 Potential at right wall /kT = -1.18474721 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8537104 Potential at right wall /mV = -30.6267096 ________________________________________________________________________ Capacitance of left DL = 0.0570692255 Capacitance of right DL = 0.0556288337 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34966738 Capacitance of right DL [F/m2] = 3.26512386 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24238532 Adsorption of ion 1 on right wall = -3.81951434 Adsorption of ion 2 on left wall = -3.81725944 Adsorption of ion 2 on right wall = 5.25226903 ------------------------------------------------------------------------ net charge in left DL = -9.05964476 10.8369202 net charge in right DL = 9.07178337 -10.8369202 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.483752323 Relative adsorption of ion 1 on right wall = -0.352453859 Relative adsorption of ion 2 on left wall = -0.352245784 Relative adsorption of ion 2 on right wall = 0.484664364 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 485------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00863213277 Right electrode charge = -0.00863213277 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99717 Bulk concentration of Na = 0.99707 ________________________________________________________________________ Average electrode charge 1 = 0.00788801881 Average electrode charge 2 = -0.00788801881 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.334874 -0.510841 -0.505079 ________________________________________________________________________ Electrode charge exchange: 0.0781138675 Move Jump Cl: 0.93424 0.37069 Na: 0.93387 0.37025 ________________________________________________________________________ Create NaCl : 533124. / 1454030. = 0.36665 Destroy NaCl : 533122. / 1455704. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.14414498 Potential at right wall /kT = -1.17346246 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5771079 Potential at right wall /mV = -30.3349894 ________________________________________________________________________ Capacitance of left DL = 0.0525324558 Capacitance of right DL = 0.0512199986 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38099317 Capacitance of right DL [F/m2] = 3.29652332 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24819731 Adsorption of ion 1 on right wall = -3.7838642 Adsorption of ion 2 on left wall = -3.80528884 Adsorption of ion 2 on right wall = 5.28956718 ------------------------------------------------------------------------ net charge in left DL = -9.05348615 9.88300444 net charge in right DL = 9.07343138 -9.88300444 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.531032577 Relative adsorption of ion 1 on right wall = -0.38286578 Relative adsorption of ion 2 on left wall = -0.385033606 Relative adsorption of ion 2 on right wall = 0.535218537 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 490------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00574950868 Right electrode charge = -0.00574950868 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99740 Bulk concentration of Na = 0.99731 ________________________________________________________________________ Average electrode charge 1 = 0.00788824861 Average electrode charge 2 = -0.00788824861 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335344 -0.510841 -0.505549 ________________________________________________________________________ Electrode charge exchange: 0.0781254537 Move Jump Cl: 0.93420 0.37071 Na: 0.93388 0.37028 ________________________________________________________________________ Create NaCl : 538635. / 1469117. = 0.36664 Destroy NaCl : 538634. / 1470678. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.13314769 Potential at right wall /kT = -1.16311172 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2928188 Potential at right wall /mV = -30.067414 ________________________________________________________________________ Capacitance of left DL = 0.0353292866 Capacitance of right DL = 0.0344191353 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.41380598 Capacitance of right DL [F/m2] = 3.32585969 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.21640943 Adsorption of ion 1 on right wall = -3.78993921 Adsorption of ion 2 on left wall = -3.83186083 Adsorption of ion 2 on right wall = 5.27549971 ------------------------------------------------------------------------ net charge in left DL = -9.04827026 6.58266286 net charge in right DL = 9.06543892 -6.58266286 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.792446695 Relative adsorption of ion 1 on right wall = -0.575745604 Relative adsorption of ion 2 on left wall = -0.582114094 Relative adsorption of ion 2 on right wall = 0.801423349 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 495------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00701156528 Right electrode charge = -0.00701156528 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99740 Bulk concentration of Na = 0.99733 ________________________________________________________________________ Average electrode charge 1 = 0.00789243923 Average electrode charge 2 = -0.00789243923 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335361 -0.510841 -0.505565 ________________________________________________________________________ Electrode charge exchange: 0.0781309557 Move Jump Cl: 0.93421 0.37074 Na: 0.93389 0.37030 ________________________________________________________________________ Create NaCl : 544184. / 1484278. = 0.36663 Destroy NaCl : 544183. / 1485894. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.14576118 Potential at right wall /kT = -1.17542127 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6188879 Potential at right wall /mV = -30.3856263 ________________________________________________________________________ Capacitance of left DL = 0.0426099998 Capacitance of right DL = 0.0415347966 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37622399 Capacitance of right DL [F/m2] = 3.29102974 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.21387137 Adsorption of ion 1 on right wall = -3.79214479 Adsorption of ion 2 on left wall = -3.8488657 Adsorption of ion 2 on right wall = 5.28381982 ------------------------------------------------------------------------ net charge in left DL = -9.06273707 8.02760252 net charge in right DL = 9.07596461 -8.02760252 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.649492966 Relative adsorption of ion 1 on right wall = -0.472388211 Relative adsorption of ion 2 on left wall = -0.479453946 Relative adsorption of ion 2 on right wall = 0.658206458 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 500------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103515013 Right electrode charge = -0.0103515013 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99737 Bulk concentration of Na = 0.99731 ________________________________________________________________________ Average electrode charge 1 = 0.00789217844 Average electrode charge 2 = -0.00789217844 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335307 -0.510841 -0.505512 ________________________________________________________________________ Electrode charge exchange: 0.0781072613 Move Jump Cl: 0.93421 0.37073 Na: 0.93393 0.37027 ________________________________________________________________________ Create NaCl : 549677. / 1499368. = 0.36661 Destroy NaCl : 549673. / 1500918. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.14842238 Potential at right wall /kT = -1.17829016 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6876822 Potential at right wall /mV = -30.4597895 ________________________________________________________________________ Capacitance of left DL = 0.0627613602 Capacitance of right DL = 0.0611704595 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36840038 Capacitance of right DL [F/m2] = 3.28301678 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.23789364 Adsorption of ion 1 on right wall = -3.79769603 Adsorption of ion 2 on left wall = -3.82694166 Adsorption of ion 2 on right wall = 5.27950534 ------------------------------------------------------------------------ net charge in left DL = -9.0648353 11.8515245 net charge in right DL = 9.07720136 -11.8515245 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.441959482 Relative adsorption of ion 1 on right wall = -0.320439452 Relative adsorption of ion 2 on left wall = -0.322907121 Relative adsorption of ion 2 on right wall = 0.445470565 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 505------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00744082956 Right electrode charge = -0.00744082956 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99751 Bulk concentration of Na = 0.99741 ________________________________________________________________________ Average electrode charge 1 = 0.0079036063 Average electrode charge 2 = -0.0079036063 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335546 -0.510841 -0.505751 ________________________________________________________________________ Electrode charge exchange: 0.0780930669 Move Jump Cl: 0.93421 0.37072 Na: 0.93387 0.37022 ________________________________________________________________________ Create NaCl : 555168. / 1514317. = 0.36661 Destroy NaCl : 555186. / 1516066. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.14793872 Potential at right wall /kT = -1.17812548 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6751792 Potential at right wall /mV = -30.4555323 ________________________________________________________________________ Capacitance of left DL = 0.0451329068 Capacitance of right DL = 0.0439764797 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36981958 Capacitance of right DL [F/m2] = 3.28347569 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25442972 Adsorption of ion 1 on right wall = -3.82358794 Adsorption of ion 2 on left wall = -3.81927257 Adsorption of ion 2 on right wall = 5.26920483 ------------------------------------------------------------------------ net charge in left DL = -9.07370229 8.51907096 net charge in right DL = 9.09279276 -8.51907096 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.616784359 Relative adsorption of ion 1 on right wall = -0.448826868 Relative adsorption of ion 2 on left wall = -0.448320314 Relative adsorption of ion 2 on right wall = 0.618518715 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 510------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00503770255 Right electrode charge = -0.00503770255 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 208 -1.00 3.0000 1.5000 Na ion: 208 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99749 Bulk concentration of Na = 0.99742 ________________________________________________________________________ Average electrode charge 1 = 0.00789571062 Average electrode charge 2 = -0.00789571062 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335537 -0.510841 -0.505741 ________________________________________________________________________ Electrode charge exchange: 0.0780981818 Move Jump Cl: 0.93425 0.37077 Na: 0.93389 0.37023 ________________________________________________________________________ Create NaCl : 560676. / 1529141. = 0.36666 Destroy NaCl : 560668. / 1531205. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.14365065 Potential at right wall /kT = -1.17299031 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5643291 Potential at right wall /mV = -30.3227839 ________________________________________________________________________ Capacitance of left DL = 0.030671131 Capacitance of right DL = 0.0299039632 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38245456 Capacitance of right DL [F/m2] = 3.29785024 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25024291 Adsorption of ion 1 on right wall = -3.82924059 Adsorption of ion 2 on left wall = -3.81496117 Adsorption of ion 2 on right wall = 5.24858964 ------------------------------------------------------------------------ net charge in left DL = -9.06520408 5.76770979 net charge in right DL = 9.07783023 -5.76770979 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.910282087 Relative adsorption of ion 1 on right wall = -0.663910067 Relative adsorption of ion 2 on left wall = -0.661434315 Relative adsorption of ion 2 on right wall = 0.909995446 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 515------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0111108942 Right electrode charge = -0.0111108942 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99759 Bulk concentration of Na = 0.99750 ________________________________________________________________________ Average electrode charge 1 = 0.00789605791 Average electrode charge 2 = -0.00789605791 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335719 -0.510841 -0.505923 ________________________________________________________________________ Electrode charge exchange: 0.078103199 Move Jump Cl: 0.93433 0.37082 Na: 0.93394 0.37020 ________________________________________________________________________ Create NaCl : 566203. / 1543980. = 0.36672 Destroy NaCl : 566206. / 1546170. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.14773474 Potential at right wall /kT = -1.17739107 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6699061 Potential at right wall /mV = -30.4365473 ________________________________________________________________________ Capacitance of left DL = 0.0674059353 Capacitance of right DL = 0.0657081025 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37041849 Capacitance of right DL [F/m2] = 3.28552378 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25281771 Adsorption of ion 1 on right wall = -3.85788569 Adsorption of ion 2 on left wall = -3.813641 Adsorption of ion 2 on right wall = 5.22451256 ------------------------------------------------------------------------ net charge in left DL = -9.06645871 12.7209601 net charge in right DL = 9.08239825 -12.7209601 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.412926199 Relative adsorption of ion 1 on right wall = -0.303270009 Relative adsorption of ion 2 on left wall = -0.299791916 Relative adsorption of ion 2 on right wall = 0.410701119 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 520------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00528084422 Right electrode charge = -0.00528084422 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99775 Bulk concentration of Na = 0.99767 ________________________________________________________________________ Average electrode charge 1 = 0.00789947094 Average electrode charge 2 = -0.00789947094 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336058 -0.510841 -0.506263 ________________________________________________________________________ Electrode charge exchange: 0.0781121402 Move Jump Cl: 0.93428 0.37077 Na: 0.93396 0.37026 ________________________________________________________________________ Create NaCl : 571680. / 1559064. = 0.36668 Destroy NaCl : 571673. / 1561017. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.14383795 Potential at right wall /kT = -1.17403502 ------------------------------------------------------------------------ Potential at left wall /mV = 29.569171 Potential at right wall /mV = -30.3497905 ________________________________________________________________________ Capacitance of left DL = 0.03214619 Capacitance of right DL = 0.0313193657 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3819007 Capacitance of right DL [F/m2] = 3.29491566 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24793557 Adsorption of ion 1 on right wall = -3.86734231 Adsorption of ion 2 on left wall = -3.82015675 Adsorption of ion 2 on right wall = 5.21616216 ------------------------------------------------------------------------ net charge in left DL = -9.06809232 6.04608482 net charge in right DL = 9.08350447 -6.04608482 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.867989075 Relative adsorption of ion 1 on right wall = -0.639644072 Relative adsorption of ion 2 on left wall = -0.631839755 Relative adsorption of ion 2 on right wall = 0.862733871 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 525------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00655207345 Right electrode charge = -0.00655207345 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99782 Bulk concentration of Na = 0.99769 ________________________________________________________________________ Average electrode charge 1 = 0.00790090735 Average electrode charge 2 = -0.00790090735 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336143 -0.510841 -0.506347 ________________________________________________________________________ Electrode charge exchange: 0.0781146131 Move Jump Cl: 0.93428 0.37073 Na: 0.93396 0.37023 ________________________________________________________________________ Create NaCl : 577111. / 1574008. = 0.36665 Destroy NaCl : 577122. / 1576076. = 0.36618 ________________________________________________________________________ Potential at left wall /kT = 1.14263745 Potential at right wall /kT = -1.17405084 ------------------------------------------------------------------------ Potential at left wall /mV = 29.538137 Potential at right wall /mV = -30.3501994 ________________________________________________________________________ Capacitance of left DL = 0.0399264737 Capacitance of right DL = 0.0388581847 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38545386 Capacitance of right DL [F/m2] = 3.29487127 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.2562688 Adsorption of ion 1 on right wall = -3.85636723 Adsorption of ion 2 on left wall = -3.80857107 Adsorption of ion 2 on right wall = 5.23332306 ------------------------------------------------------------------------ net charge in left DL = -9.06483987 7.5015263 net charge in right DL = 9.08969029 -7.5015263 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.700693245 Relative adsorption of ion 1 on right wall = -0.514077679 Relative adsorption of ion 2 on left wall = -0.507706154 Relative adsorption of ion 2 on right wall = 0.697634435 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 530------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00613869568 Right electrode charge = -0.00613869568 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99771 Bulk concentration of Na = 0.99757 ________________________________________________________________________ Average electrode charge 1 = 0.00789912094 Average electrode charge 2 = -0.00789912094 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.335907 -0.510841 -0.506111 ________________________________________________________________________ Electrode charge exchange: 0.0781039508 Move Jump Cl: 0.93428 0.37069 Na: 0.93397 0.37027 ________________________________________________________________________ Create NaCl : 582703. / 1589016. = 0.36671 Destroy NaCl : 582710. / 1591259. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.14195727 Potential at right wall /kT = -1.17212798 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5205536 Potential at right wall /mV = -30.300492 ________________________________________________________________________ Capacitance of left DL = 0.0374297482 Capacitance of right DL = 0.0364663019 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38747035 Capacitance of right DL [F/m2] = 3.30027645 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.2443439 Adsorption of ion 1 on right wall = -3.84689777 Adsorption of ion 2 on left wall = -3.81611402 Adsorption of ion 2 on right wall = 5.24191098 ------------------------------------------------------------------------ net charge in left DL = -9.06045792 7.02824647 net charge in right DL = 9.08880874 -7.02824647 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.746180989 Relative adsorption of ion 1 on right wall = -0.547348159 Relative adsorption of ion 2 on left wall = -0.542968156 Relative adsorption of ion 2 on right wall = 0.745834825 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 535------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00679628397 Right electrode charge = -0.00679628397 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99788 Bulk concentration of Na = 0.99772 ________________________________________________________________________ Average electrode charge 1 = 0.00789806433 Average electrode charge 2 = -0.00789806433 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336224 -0.510841 -0.506429 ________________________________________________________________________ Electrode charge exchange: 0.0780939742 Move Jump Cl: 0.93432 0.37068 Na: 0.93399 0.37029 ________________________________________________________________________ Create NaCl : 588172. / 1603844. = 0.36673 Destroy NaCl : 588174. / 1606251. = 0.36618 ________________________________________________________________________ Potential at left wall /kT = 1.13541331 Potential at right wall /kT = -1.16562277 ------------------------------------------------------------------------ Potential at left wall /mV = 29.351387 Potential at right wall /mV = -30.1323267 ________________________________________________________________________ Capacitance of left DL = 0.0416781263 Capacitance of right DL = 0.040597954 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40699402 Capacitance of right DL [F/m2] = 3.31869493 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.22886848 Adsorption of ion 1 on right wall = -3.86439943 Adsorption of ion 2 on left wall = -3.82500393 Adsorption of ion 2 on right wall = 5.22032878 ------------------------------------------------------------------------ net charge in left DL = -9.05387241 7.78112506 net charge in right DL = 9.08472821 -7.78112506 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.671993888 Relative adsorption of ion 1 on right wall = -0.49663762 Relative adsorption of ion 2 on left wall = -0.491574663 Relative adsorption of ion 2 on right wall = 0.670896399 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 540------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00766017225 Right electrode charge = -0.00766017225 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99786 Bulk concentration of Na = 0.99776 ________________________________________________________________________ Average electrode charge 1 = 0.00790177611 Average electrode charge 2 = -0.00790177611 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336256 -0.510841 -0.506461 ________________________________________________________________________ Electrode charge exchange: 0.0780949339 Move Jump Cl: 0.93426 0.37076 Na: 0.93400 0.37021 ________________________________________________________________________ Create NaCl : 593725. / 1618856. = 0.36676 Destroy NaCl : 593714. / 1621261. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.13584561 Potential at right wall /kT = -1.16713034 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3625621 Potential at right wall /mV = -30.1712987 ________________________________________________________________________ Capacitance of left DL = 0.0469580318 Capacitance of right DL = 0.0456993297 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40569735 Capacitance of right DL [F/m2] = 3.31440821 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.23222782 Adsorption of ion 1 on right wall = -3.880789 Adsorption of ion 2 on left wall = -3.83220436 Adsorption of ion 2 on right wall = 5.20250413 ------------------------------------------------------------------------ net charge in left DL = -9.06443217 8.77019832 net charge in right DL = 9.08329313 -8.77019832 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.596591733 Relative adsorption of ion 1 on right wall = -0.442497291 Relative adsorption of ion 2 on left wall = -0.436957548 Relative adsorption of ion 2 on right wall = 0.593202564 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 545------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0085423445 Right electrode charge = -0.0085423445 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99800 Bulk concentration of Na = 0.99795 ________________________________________________________________________ Average electrode charge 1 = 0.00789927283 Average electrode charge 2 = -0.00789927283 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336582 -0.510841 -0.506787 ________________________________________________________________________ Electrode charge exchange: 0.0780934764 Move Jump Cl: 0.93426 0.37069 Na: 0.93395 0.37019 ________________________________________________________________________ Create NaCl : 599245. / 1634027. = 0.36673 Destroy NaCl : 599250. / 1636345. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.14470106 Potential at right wall /kT = -1.17656355 ------------------------------------------------------------------------ Potential at left wall /mV = 29.591483 Potential at right wall /mV = -30.4151552 ________________________________________________________________________ Capacitance of left DL = 0.0519607786 Capacitance of right DL = 0.0505536299 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37935074 Capacitance of right DL [F/m2] = 3.28783462 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.23190961 Adsorption of ion 1 on right wall = -3.89352173 Adsorption of ion 2 on left wall = -3.83980727 Adsorption of ion 2 on right wall = 5.18819502 ------------------------------------------------------------------------ net charge in left DL = -9.07171688 9.78020507 net charge in right DL = 9.08171676 -9.78020507 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.534948866 Relative adsorption of ion 1 on right wall = -0.398102259 Relative adsorption of ion 2 on left wall = -0.392610098 Relative adsorption of ion 2 on right wall = 0.530479166 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 550------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00650077509 Right electrode charge = -0.00650077509 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99801 Bulk concentration of Na = 0.99795 ________________________________________________________________________ Average electrode charge 1 = 0.00790211083 Average electrode charge 2 = -0.00790211083 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336593 -0.510841 -0.506798 ________________________________________________________________________ Electrode charge exchange: 0.0781130211 Move Jump Cl: 0.93424 0.37067 Na: 0.93399 0.37017 ________________________________________________________________________ Create NaCl : 604662. / 1649147. = 0.36665 Destroy NaCl : 604667. / 1651395. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.15075615 Potential at right wall /kT = -1.18257587 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7480121 Potential at right wall /mV = -30.5705787 ________________________________________________________________________ Capacitance of left DL = 0.0393343963 Capacitance of right DL = 0.0382760206 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36156915 Capacitance of right DL [F/m2] = 3.27111898 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24661384 Adsorption of ion 1 on right wall = -3.90516147 Adsorption of ion 2 on left wall = -3.83084883 Adsorption of ion 2 on right wall = 5.1845989 ------------------------------------------------------------------------ net charge in left DL = -9.07746266 7.44279436 net charge in right DL = 9.08976037 -7.44279436 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.704925272 Relative adsorption of ion 1 on right wall = -0.524690228 Relative adsorption of ion 2 on left wall = -0.51470572 Relative adsorption of ion 2 on right wall = 0.696593061 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 555------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00552721759 Right electrode charge = -0.00552721759 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99803 Bulk concentration of Na = 0.99799 ________________________________________________________________________ Average electrode charge 1 = 0.00790048976 Average electrode charge 2 = -0.00790048976 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336645 -0.510841 -0.506849 ________________________________________________________________________ Electrode charge exchange: 0.0781574173 Move Jump Cl: 0.93419 0.37058 Na: 0.93398 0.37016 ________________________________________________________________________ Create NaCl : 610106. / 1664165. = 0.36661 Destroy NaCl : 610114. / 1666371. = 0.36613 ________________________________________________________________________ Potential at left wall /kT = 1.15597646 Potential at right wall /kT = -1.18711527 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8829616 Potential at right wall /mV = -30.6879259 ________________________________________________________________________ Capacitance of left DL = 0.0332926392 Capacitance of right DL = 0.0324193516 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34638853 Capacitance of right DL [F/m2] = 3.25861058 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24314778 Adsorption of ion 1 on right wall = -3.91509786 Adsorption of ion 2 on left wall = -3.83766215 Adsorption of ion 2 on right wall = 5.17355947 ------------------------------------------------------------------------ net charge in left DL = -9.08080993 6.32815985 net charge in right DL = 9.08865733 -6.32815985 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.828542248 Relative adsorption of ion 1 on right wall = -0.618678725 Relative adsorption of ion 2 on left wall = -0.606442037 Relative adsorption of ion 2 on right wall = 0.817545637 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 560------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00983018236 Right electrode charge = -0.00983018236 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99807 Bulk concentration of Na = 0.99805 ________________________________________________________________________ Average electrode charge 1 = 0.0078972235 Average electrode charge 2 = -0.0078972235 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336748 -0.510841 -0.506952 ________________________________________________________________________ Electrode charge exchange: 0.0781462192 Move Jump Cl: 0.93420 0.37055 Na: 0.93401 0.37013 ________________________________________________________________________ Create NaCl : 615710. / 1679265. = 0.36665 Destroy NaCl : 615716. / 1681445. = 0.36618 ________________________________________________________________________ Potential at left wall /kT = 1.15590959 Potential at right wall /kT = -1.18576823 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8812328 Potential at right wall /mV = -30.6531038 ________________________________________________________________________ Capacitance of left DL = 0.0592145402 Capacitance of right DL = 0.0577234683 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34658213 Capacitance of right DL [F/m2] = 3.26231238 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24586894 Adsorption of ion 1 on right wall = -3.90821618 Adsorption of ion 2 on left wall = -3.83295412 Adsorption of ion 2 on right wall = 5.17469023 ------------------------------------------------------------------------ net charge in left DL = -9.07882305 11.2546619 net charge in right DL = 9.08290641 -11.2546619 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.466106311 Relative adsorption of ion 1 on right wall = -0.347253095 Relative adsorption of ion 2 on left wall = -0.340565905 Relative adsorption of ion 2 on right wall = 0.459781935 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 565------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00948274374 Right electrode charge = -0.00948274374 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99811 Bulk concentration of Na = 0.99803 ________________________________________________________________________ Average electrode charge 1 = 0.00790141313 Average electrode charge 2 = -0.00790141313 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336772 -0.510841 -0.506976 ________________________________________________________________________ Electrode charge exchange: 0.0781220356 Move Jump Cl: 0.93420 0.37055 Na: 0.93398 0.37010 ________________________________________________________________________ Create NaCl : 621230. / 1694357. = 0.36665 Destroy NaCl : 621252. / 1696490. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15409167 Potential at right wall /kT = -1.18352575 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8342381 Potential at right wall /mV = -30.5951338 ________________________________________________________________________ Capacitance of left DL = 0.0572116354 Capacitance of right DL = 0.0557887918 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35185366 Capacitance of right DL [F/m2] = 3.26849363 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25692225 Adsorption of ion 1 on right wall = -3.92345253 Adsorption of ion 2 on left wall = -3.82073994 Adsorption of ion 2 on right wall = 5.16797997 ------------------------------------------------------------------------ net charge in left DL = -9.0776622 10.8568764 net charge in right DL = 9.09143249 -10.8568764 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.484202091 Relative adsorption of ion 1 on right wall = -0.361379497 Relative adsorption of ion 2 on left wall = -0.351918895 Relative adsorption of ion 2 on right wall = 0.476009838 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 570------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00726212582 Right electrode charge = -0.00726212582 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99828 Bulk concentration of Na = 0.99815 ________________________________________________________________________ Average electrode charge 1 = 0.00790298209 Average electrode charge 2 = -0.00790298209 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337065 -0.510841 -0.507270 ________________________________________________________________________ Electrode charge exchange: 0.0781024449 Move Jump Cl: 0.93414 0.37056 Na: 0.93395 0.37010 ________________________________________________________________________ Create NaCl : 626654. / 1709473. = 0.36658 Destroy NaCl : 626673. / 1711338. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.15141239 Potential at right wall /kT = -1.18031729 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7649766 Potential at right wall /mV = -30.5121926 ________________________________________________________________________ Capacitance of left DL = 0.0439160755 Capacitance of right DL = 0.0428406105 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35965324 Capacitance of right DL [F/m2] = 3.27737837 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24100285 Adsorption of ion 1 on right wall = -3.92349422 Adsorption of ion 2 on left wall = -3.83077662 Adsorption of ion 2 on right wall = 5.17405466 ------------------------------------------------------------------------ net charge in left DL = -9.07177948 8.31447148 net charge in right DL = 9.09754889 -8.31447148 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.630347084 Relative adsorption of ion 1 on right wall = -0.471887388 Relative adsorption of ion 2 on left wall = -0.460736035 Relative adsorption of ion 2 on right wall = 0.622295076 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 575------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00963714592 Right electrode charge = -0.00963714592 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99831 Bulk concentration of Na = 0.99814 ________________________________________________________________________ Average electrode charge 1 = 0.0078991534 Average electrode charge 2 = -0.0078991534 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337082 -0.510841 -0.507286 ________________________________________________________________________ Electrode charge exchange: 0.0780898478 Move Jump Cl: 0.93413 0.37050 Na: 0.93398 0.37011 ________________________________________________________________________ Create NaCl : 632182. / 1724631. = 0.36656 Destroy NaCl : 632188. / 1726315. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.1553929 Potential at right wall /kT = -1.18495689 ------------------------------------------------------------------------ Potential at left wall /mV = 29.867876 Potential at right wall /mV = -30.63213 ________________________________________________________________________ Capacitance of left DL = 0.0580776981 Capacitance of right DL = 0.0566286929 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34807872 Capacitance of right DL [F/m2] = 3.26454608 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24696841 Adsorption of ion 1 on right wall = -3.89810507 Adsorption of ion 2 on left wall = -3.81967622 Adsorption of ion 2 on right wall = 5.2013616 ------------------------------------------------------------------------ net charge in left DL = -9.06664463 11.0336528 net charge in right DL = 9.09946667 -11.0336528 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.475542279 Relative adsorption of ion 1 on right wall = -0.353292345 Relative adsorption of ion 2 on left wall = -0.346184196 Relative adsorption of ion 2 on right wall = 0.471408852 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 580------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00730827374 Right electrode charge = -0.00730827374 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99815 Bulk concentration of Na = 0.99807 ________________________________________________________________________ Average electrode charge 1 = 0.00790107233 Average electrode charge 2 = -0.00790107233 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.336850 -0.510841 -0.507055 ________________________________________________________________________ Electrode charge exchange: 0.0780830539 Move Jump Cl: 0.93413 0.37051 Na: 0.93401 0.37012 ________________________________________________________________________ Create NaCl : 637739. / 1739588. = 0.36660 Destroy NaCl : 637754. / 1741412. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.1508096 Potential at right wall /kT = -1.18010644 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7493939 Potential at right wall /mV = -30.5067417 ________________________________________________________________________ Capacitance of left DL = 0.0442182939 Capacitance of right DL = 0.0431205488 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36141302 Capacitance of right DL [F/m2] = 3.27796397 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.25165519 Adsorption of ion 1 on right wall = -3.89600903 Adsorption of ion 2 on left wall = -3.82207544 Adsorption of ion 2 on right wall = 5.19455171 ------------------------------------------------------------------------ net charge in left DL = -9.07373063 8.36730663 net charge in right DL = 9.09056075 -8.36730663 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.627639863 Relative adsorption of ion 1 on right wall = -0.465622835 Relative adsorption of ion 2 on left wall = -0.456786826 Relative adsorption of ion 2 on right wall = 0.620815268 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 585------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00934935044 Right electrode charge = -0.00934935044 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99830 Bulk concentration of Na = 0.99822 ________________________________________________________________________ Average electrode charge 1 = 0.00790349904 Average electrode charge 2 = -0.00790349904 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337159 -0.510841 -0.507364 ________________________________________________________________________ Electrode charge exchange: 0.0780738387 Move Jump Cl: 0.93411 0.37046 Na: 0.93402 0.37009 ________________________________________________________________________ Create NaCl : 643184. / 1754559. = 0.36658 Destroy NaCl : 643175. / 1756259. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.14520459 Potential at right wall /kT = -1.17444872 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6044998 Potential at right wall /mV = -30.3604851 ________________________________________________________________________ Capacitance of left DL = 0.0568445732 Capacitance of right DL = 0.055429126 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37786488 Capacitance of right DL [F/m2] = 3.29375501 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.24184749 Adsorption of ion 1 on right wall = -3.9008971 Adsorption of ion 2 on left wall = -3.83161214 Adsorption of ion 2 on right wall = 5.18786179 ------------------------------------------------------------------------ net charge in left DL = -9.07345963 10.7041532 net charge in right DL = 9.08875889 -10.7041532 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.489702209 Relative adsorption of ion 1 on right wall = -0.364428369 Relative adsorption of ion 2 on left wall = -0.357955652 Relative adsorption of ion 2 on right wall = 0.484658774 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 590------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0078729294 Right electrode charge = -0.0078729294 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99823 ________________________________________________________________________ Average electrode charge 1 = 0.00790313596 Average electrode charge 2 = -0.00790313596 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337195 -0.510841 -0.507400 ________________________________________________________________________ Electrode charge exchange: 0.0780876962 Move Jump Cl: 0.93410 0.37055 Na: 0.93402 0.37008 ________________________________________________________________________ Create NaCl : 648816. / 1769716. = 0.36662 Destroy NaCl : 648827. / 1771184. = 0.36632 ________________________________________________________________________ Potential at left wall /kT = 1.14610329 Potential at right wall /kT = -1.17539056 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6277319 Potential at right wall /mV = -30.3848324 ________________________________________________________________________ Capacitance of left DL = 0.047830316 Capacitance of right DL = 0.0466385254 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37521618 Capacitance of right DL [F/m2] = 3.29111573 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.23017125 Adsorption of ion 1 on right wall = -3.87745488 Adsorption of ion 2 on left wall = -3.84157349 Adsorption of ion 2 on right wall = 5.21377015 ------------------------------------------------------------------------ net charge in left DL = -9.07174474 9.01378585 net charge in right DL = 9.09122504 -9.01378585 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.580241348 Relative adsorption of ion 1 on right wall = -0.430169404 Relative adsorption of ion 2 on left wall = -0.42618868 Relative adsorption of ion 2 on right wall = 0.578421791 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 595------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00966706329 Right electrode charge = -0.00966706329 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99822 ________________________________________________________________________ Average electrode charge 1 = 0.00790010342 Average electrode charge 2 = -0.00790010342 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337191 -0.510841 -0.507396 ________________________________________________________________________ Electrode charge exchange: 0.0780911956 Move Jump Cl: 0.93413 0.37050 Na: 0.93401 0.37005 ________________________________________________________________________ Create NaCl : 654270. / 1784618. = 0.36662 Destroy NaCl : 654270. / 1786206. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 1.14422022 Potential at right wall /kT = -1.17569649 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5790529 Potential at right wall /mV = -30.3927409 ________________________________________________________________________ Capacitance of left DL = 0.0588268504 Capacitance of right DL = 0.0572519118 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38077086 Capacitance of right DL [F/m2] = 3.29025935 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.22589517 Adsorption of ion 1 on right wall = -3.87294306 Adsorption of ion 2 on left wall = -3.84113811 Adsorption of ion 2 on right wall = 5.21543262 ------------------------------------------------------------------------ net charge in left DL = -9.06703328 11.0679055 net charge in right DL = 9.08837568 -11.0679055 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.47216659 Relative adsorption of ion 1 on right wall = -0.349925564 Relative adsorption of ion 2 on left wall = -0.347051944 Relative adsorption of ion 2 on right wall = 0.471221284 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 600------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00829040797 Right electrode charge = -0.00829040797 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99841 Bulk concentration of Na = 0.99828 ________________________________________________________________________ Average electrode charge 1 = 0.00791038024 Average electrode charge 2 = -0.00791038024 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337320 -0.510841 -0.507525 ________________________________________________________________________ Electrode charge exchange: 0.0780921631 Move Jump Cl: 0.93413 0.37047 Na: 0.93398 0.37004 ________________________________________________________________________ Create NaCl : 659806. / 1799738. = 0.36661 Destroy NaCl : 659793. / 1801036. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 1.14517656 Potential at right wall /kT = -1.17654953 ------------------------------------------------------------------------ Potential at left wall /mV = 29.603775 Potential at right wall /mV = -30.4147926 ________________________________________________________________________ Capacitance of left DL = 0.0504073778 Capacitance of right DL = 0.0490632533 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37794757 Capacitance of right DL [F/m2] = 3.2878738 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.20919583 Adsorption of ion 1 on right wall = -3.85680889 Adsorption of ion 2 on left wall = -3.86719426 Adsorption of ion 2 on right wall = 5.24582546 ------------------------------------------------------------------------ net charge in left DL = -9.0763901 9.49176073 net charge in right DL = 9.10263435 -9.49176073 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.548812384 Relative adsorption of ion 1 on right wall = -0.406332292 Relative adsorption of ion 2 on left wall = -0.407426438 Relative adsorption of ion 2 on right wall = 0.552671481 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 605------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00546563742 Right electrode charge = -0.00546563742 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99837 Bulk concentration of Na = 0.99822 ________________________________________________________________________ Average electrode charge 1 = 0.0079037917 Average electrode charge 2 = -0.0079037917 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337225 -0.510841 -0.507430 ________________________________________________________________________ Electrode charge exchange: 0.0781230921 Move Jump Cl: 0.93413 0.37042 Na: 0.93400 0.37004 ________________________________________________________________________ Create NaCl : 665299. / 1814772. = 0.36660 Destroy NaCl : 665299. / 1816018. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.14770672 Potential at right wall /kT = -1.17843376 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6691819 Potential at right wall /mV = -30.4635016 ________________________________________________________________________ Capacitance of left DL = 0.0331589329 Capacitance of right DL = 0.0322943312 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37050076 Capacitance of right DL [F/m2] = 3.28261673 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.19853602 Adsorption of ion 1 on right wall = -3.84911605 Adsorption of ion 2 on left wall = -3.86999967 Adsorption of ion 2 on right wall = 5.2500557 ------------------------------------------------------------------------ net charge in left DL = -9.06853568 6.25765617 net charge in right DL = 9.09917175 -6.25765617 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.830748106 Relative adsorption of ion 1 on right wall = -0.615105072 Relative adsorption of ion 2 on left wall = -0.618442362 Relative adsorption of ion 2 on right wall = 0.838981171 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 610------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00931848838 Right electrode charge = -0.00931848838 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99833 Bulk concentration of Na = 0.99823 ________________________________________________________________________ Average electrode charge 1 = 0.00790688047 Average electrode charge 2 = -0.00790688047 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337194 -0.510841 -0.507399 ________________________________________________________________________ Electrode charge exchange: 0.0781238371 Move Jump Cl: 0.93411 0.37038 Na: 0.93401 0.37002 ________________________________________________________________________ Create NaCl : 670855. / 1829904. = 0.36661 Destroy NaCl : 670858. / 1831078. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.15119198 Potential at right wall /kT = -1.18159566 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7592787 Potential at right wall /mV = -30.5452394 ________________________________________________________________________ Capacitance of left DL = 0.0563622558 Capacitance of right DL = 0.0549119965 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3602965 Capacitance of right DL [F/m2] = 3.27383259 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.20606698 Adsorption of ion 1 on right wall = -3.84167578 Adsorption of ion 2 on left wall = -3.87402175 Adsorption of ion 2 on right wall = 5.25625926 ------------------------------------------------------------------------ net charge in left DL = -9.08008874 10.668819 net charge in right DL = 9.09793504 -10.668819 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.487970317 Relative adsorption of ion 1 on right wall = -0.360084446 Relative adsorption of ion 2 on left wall = -0.363116269 Relative adsorption of ion 2 on right wall = 0.492674893 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 615------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00416969756 Right electrode charge = -0.00416969756 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99830 Bulk concentration of Na = 0.99824 ________________________________________________________________________ Average electrode charge 1 = 0.0079112587 Average electrode charge 2 = -0.0079112587 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337172 -0.510841 -0.507376 ________________________________________________________________________ Electrode charge exchange: 0.0781239792 Move Jump Cl: 0.93414 0.37041 Na: 0.93400 0.37002 ________________________________________________________________________ Create NaCl : 676343. / 1845022. = 0.36658 Destroy NaCl : 676362. / 1846026. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.14835718 Potential at right wall /kT = -1.17761684 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6859968 Potential at right wall /mV = -30.4423836 ________________________________________________________________________ Capacitance of left DL = 0.0252823953 Capacitance of right DL = 0.0246542162 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36859162 Capacitance of right DL [F/m2] = 3.28489389 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.20745576 Adsorption of ion 1 on right wall = -3.83424681 Adsorption of ion 2 on left wall = -3.87840927 Adsorption of ion 2 on right wall = 5.26305428 ------------------------------------------------------------------------ net charge in left DL = -9.08586503 4.77392327 net charge in right DL = 9.09730109 -4.77392327 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.09081262 Relative adsorption of ion 1 on right wall = -0.803164734 Relative adsorption of ion 2 on left wall = -0.812415502 Relative adsorption of ion 2 on right wall = 1.10245892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 620------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00835602062 Right electrode charge = -0.00835602062 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99842 Bulk concentration of Na = 0.99831 ________________________________________________________________________ Average electrode charge 1 = 0.00790858232 Average electrode charge 2 = -0.00790858232 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337359 -0.510841 -0.507564 ________________________________________________________________________ Electrode charge exchange: 0.0781431915 Move Jump Cl: 0.93414 0.37040 Na: 0.93399 0.36999 ________________________________________________________________________ Create NaCl : 681832. / 1860084. = 0.36656 Destroy NaCl : 681832. / 1861099. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.1602581 Potential at right wall /kT = -1.18805992 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9936455 Potential at right wall /mV = -30.7123459 ________________________________________________________________________ Capacitance of left DL = 0.0501459136 Capacitance of right DL = 0.0489724477 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33403954 Capacitance of right DL [F/m2] = 3.25601959 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.21924515 Adsorption of ion 1 on right wall = -3.84686601 Adsorption of ion 2 on left wall = -3.86587867 Adsorption of ion 2 on right wall = 5.25910883 ------------------------------------------------------------------------ net charge in left DL = -9.08512381 9.56688122 net charge in right DL = 9.10597484 -9.56688122 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.545553459 Relative adsorption of ion 1 on right wall = -0.402102412 Relative adsorption of ion 2 on left wall = -0.404089753 Relative adsorption of ion 2 on right wall = 0.549720302 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 625------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00953639099 Right electrode charge = -0.00953639099 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99847 Bulk concentration of Na = 0.99835 ________________________________________________________________________ Average electrode charge 1 = 0.0079041865 Average electrode charge 2 = -0.0079041865 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337456 -0.510841 -0.507661 ________________________________________________________________________ Electrode charge exchange: 0.0781521987 Move Jump Cl: 0.93416 0.37038 Na: 0.93399 0.36996 ________________________________________________________________________ Create NaCl : 687382. / 1875062. = 0.36659 Destroy NaCl : 687384. / 1876233. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.15476684 Potential at right wall /kT = -1.18221547 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8516918 Potential at right wall /mV = -30.561262 ________________________________________________________________________ Capacitance of left DL = 0.057501662 Capacitance of right DL = 0.0561665908 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34989389 Capacitance of right DL [F/m2] = 3.27211618 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.20363164 Adsorption of ion 1 on right wall = -3.8509717 Adsorption of ion 2 on left wall = -3.87194668 Adsorption of ion 2 on right wall = 5.24802039 ------------------------------------------------------------------------ net charge in left DL = -9.07557831 10.9182976 net charge in right DL = 9.09899209 -10.9182976 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.476597344 Relative adsorption of ion 1 on right wall = -0.352708072 Relative adsorption of ion 2 on left wall = -0.354629157 Relative adsorption of ion 2 on right wall = 0.480662882 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 630------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00486431442 Right electrode charge = -0.00486431442 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99838 Bulk concentration of Na = 0.99824 ________________________________________________________________________ Average electrode charge 1 = 0.00789780282 Average electrode charge 2 = -0.00789780282 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337257 -0.510841 -0.507462 ________________________________________________________________________ Electrode charge exchange: 0.0781514681 Move Jump Cl: 0.93419 0.37038 Na: 0.93401 0.36997 ________________________________________________________________________ Create NaCl : 692914. / 1890212. = 0.36658 Destroy NaCl : 692917. / 1891224. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.147775 Potential at right wall /kT = -1.17535211 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6709469 Potential at right wall /mV = -30.3838384 ________________________________________________________________________ Capacitance of left DL = 0.0295090706 Capacitance of right DL = 0.0288167037 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37030025 Capacitance of right DL [F/m2] = 3.29122341 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.21044352 Adsorption of ion 1 on right wall = -3.85134087 Adsorption of ion 2 on left wall = -3.85164242 Adsorption of ion 2 on right wall = 5.23854012 ------------------------------------------------------------------------ net charge in left DL = -9.06208594 5.5691962 net charge in right DL = 9.08988099 -5.5691962 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.935582682 Relative adsorption of ion 1 on right wall = -0.691543399 Relative adsorption of ion 2 on left wall = -0.691597545 Relative adsorption of ion 2 on right wall = 0.940627683 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 635------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00604358253 Right electrode charge = -0.00604358253 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99852 Bulk concentration of Na = 0.99835 ________________________________________________________________________ Average electrode charge 1 = 0.00789522179 Average electrode charge 2 = -0.00789522179 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337499 -0.510841 -0.507703 ________________________________________________________________________ Electrode charge exchange: 0.0781294084 Move Jump Cl: 0.93418 0.37038 Na: 0.93398 0.36995 ________________________________________________________________________ Create NaCl : 698392. / 1905161. = 0.36658 Destroy NaCl : 698399. / 1906167. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.14431401 Potential at right wall /kT = -1.17110133 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5814775 Potential at right wall /mV = -30.2739521 ________________________________________________________________________ Capacitance of left DL = 0.0367739172 Capacitance of right DL = 0.0359327649 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38049375 Capacitance of right DL [F/m2] = 3.30316965 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.19293074 Adsorption of ion 1 on right wall = -3.85305588 Adsorption of ion 2 on left wall = -3.86142636 Adsorption of ion 2 on right wall = 5.2341949 ------------------------------------------------------------------------ net charge in left DL = -9.0543571 6.91935059 net charge in right DL = 9.08725077 -6.91935059 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.750493947 Relative adsorption of ion 1 on right wall = -0.55685224 Relative adsorption of ion 2 on left wall = -0.558061962 Relative adsorption of ion 2 on right wall = 0.756457535 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 640------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00682157627 Right electrode charge = -0.00682157627 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99856 Bulk concentration of Na = 0.99840 ________________________________________________________________________ Average electrode charge 1 = 0.0078968376 Average electrode charge 2 = -0.0078968376 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337586 -0.510841 -0.507790 ________________________________________________________________________ Electrode charge exchange: 0.0781129403 Move Jump Cl: 0.93419 0.37038 Na: 0.93400 0.36995 ________________________________________________________________________ Create NaCl : 703890. / 1920364. = 0.36654 Destroy NaCl : 703886. / 1921175. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.14430057 Potential at right wall /kT = -1.171129 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5811299 Potential at right wall /mV = -30.2746674 ________________________________________________________________________ Capacitance of left DL = 0.0415083317 Capacitance of right DL = 0.0405574515 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38053348 Capacitance of right DL [F/m2] = 3.30309162 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.19971869 Adsorption of ion 1 on right wall = -3.85060865 Adsorption of ion 2 on left wall = -3.85711859 Adsorption of ion 2 on right wall = 5.23748428 ------------------------------------------------------------------------ net charge in left DL = -9.05683728 7.81008244 net charge in right DL = 9.08809293 -7.81008244 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.665770014 Relative adsorption of ion 1 on right wall = -0.493030474 Relative adsorption of ion 2 on left wall = -0.493864004 Relative adsorption of ion 2 on right wall = 0.670605505 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 645------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00879849836 Right electrode charge = -0.00879849836 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99867 Bulk concentration of Na = 0.99846 ________________________________________________________________________ Average electrode charge 1 = 0.00789488236 Average electrode charge 2 = -0.00789488236 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337765 -0.510841 -0.507969 ________________________________________________________________________ Electrode charge exchange: 0.0781000089 Move Jump Cl: 0.93415 0.37038 Na: 0.93397 0.36994 ________________________________________________________________________ Create NaCl : 709272. / 1935421. = 0.36647 Destroy NaCl : 709282. / 1935948. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.14735139 Potential at right wall /kT = -1.17451581 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6599963 Potential at right wall /mV = -30.3622194 ________________________________________________________________________ Capacitance of left DL = 0.0533952672 Capacitance of right DL = 0.0521603313 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37154459 Capacitance of right DL [F/m2] = 3.29356687 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.19245026 Adsorption of ion 1 on right wall = -3.87177725 Adsorption of ion 2 on left wall = -3.86016344 Adsorption of ion 2 on right wall = 5.22012739 ------------------------------------------------------------------------ net charge in left DL = -9.0526137 10.0734779 net charge in right DL = 9.09190464 -10.0734779 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.515457555 Relative adsorption of ion 1 on right wall = -0.384353578 Relative adsorption of ion 2 on left wall = -0.383200668 Relative adsorption of ion 2 on right wall = 0.518205079 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 650------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00798685605 Right electrode charge = -0.00798685605 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99870 Bulk concentration of Na = 0.99852 ________________________________________________________________________ Average electrode charge 1 = 0.00789123984 Average electrode charge 2 = -0.00789123984 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337856 -0.510841 -0.508060 ________________________________________________________________________ Electrode charge exchange: 0.078107142 Move Jump Cl: 0.93413 0.37039 Na: 0.93397 0.36994 ________________________________________________________________________ Create NaCl : 714705. / 1950479. = 0.36643 Destroy NaCl : 714703. / 1950955. = 0.36633 ________________________________________________________________________ Potential at left wall /kT = 1.14587724 Potential at right wall /kT = -1.17213221 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6218882 Potential at right wall /mV = -30.3006013 ________________________________________________________________________ Capacitance of left DL = 0.0485320255 Capacitance of right DL = 0.0474449408 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37588202 Capacitance of right DL [F/m2] = 3.30026454 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.17922487 Adsorption of ion 1 on right wall = -3.87163602 Adsorption of ion 2 on left wall = -3.86988271 Adsorption of ion 2 on right wall = 5.21375613 ------------------------------------------------------------------------ net charge in left DL = -9.04910759 9.14422148 net charge in right DL = 9.08539215 -9.14422148 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566393201 Relative adsorption of ion 1 on right wall = -0.423397009 Relative adsorption of ion 2 on left wall = -0.42320527 Relative adsorption of ion 2 on right wall = 0.570169494 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 655------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00678159765 Right electrode charge = -0.00678159765 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99865 Bulk concentration of Na = 0.99850 ________________________________________________________________________ Average electrode charge 1 = 0.00788955685 Average electrode charge 2 = -0.00788955685 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337784 -0.510841 -0.507988 ________________________________________________________________________ Electrode charge exchange: 0.0780842893 Move Jump Cl: 0.93411 0.37039 Na: 0.93396 0.36990 ________________________________________________________________________ Create NaCl : 720206. / 1965555. = 0.36641 Destroy NaCl : 720209. / 1965966. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 1.14642387 Potential at right wall /kT = -1.17441944 ------------------------------------------------------------------------ Potential at left wall /mV = 29.636019 Potential at right wall /mV = -30.3597282 ________________________________________________________________________ Capacitance of left DL = 0.0411886401 Capacitance of right DL = 0.0402067935 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37427237 Capacitance of right DL [F/m2] = 3.29383713 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.18865143 Adsorption of ion 1 on right wall = -3.86748966 Adsorption of ion 2 on left wall = -3.86315714 Adsorption of ion 2 on right wall = 5.21319973 ------------------------------------------------------------------------ net charge in left DL = -9.05180857 7.76431057 net charge in right DL = 9.08068939 -7.76431057 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.668269434 Relative adsorption of ion 1 on right wall = -0.49811115 Relative adsorption of ion 2 on left wall = -0.497553145 Relative adsorption of ion 2 on right wall = 0.671431118 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 660------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0057891065 Right electrode charge = -0.0057891065 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99857 Bulk concentration of Na = 0.99839 ________________________________________________________________________ Average electrode charge 1 = 0.00789425316 Average electrode charge 2 = -0.00789425316 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337593 -0.510841 -0.507798 ________________________________________________________________________ Electrode charge exchange: 0.0780781072 Move Jump Cl: 0.93405 0.37039 Na: 0.93392 0.36989 ________________________________________________________________________ Create NaCl : 725759. / 1980525. = 0.36645 Destroy NaCl : 725768. / 1980998. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.14414426 Potential at right wall /kT = -1.17103066 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5770893 Potential at right wall /mV = -30.2721253 ________________________________________________________________________ Capacitance of left DL = 0.0352307108 Capacitance of right DL = 0.0344218277 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3809953 Capacitance of right DL [F/m2] = 3.30336899 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1992735 Adsorption of ion 1 on right wall = -3.85955226 Adsorption of ion 2 on left wall = -3.8523874 Adsorption of ion 2 on right wall = 5.22780856 ------------------------------------------------------------------------ net charge in left DL = -9.0516609 6.62799876 net charge in right DL = 9.08736082 -6.62799876 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.784440928 Relative adsorption of ion 1 on right wall = -0.582310348 Relative adsorption of ion 2 on left wall = -0.581229349 Relative adsorption of ion 2 on right wall = 0.788746158 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 665------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00796341566 Right electrode charge = -0.00796341566 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99877 Bulk concentration of Na = 0.99854 ________________________________________________________________________ Average electrode charge 1 = 0.00788965508 Average electrode charge 2 = -0.00788965508 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.337940 -0.510841 -0.508145 ________________________________________________________________________ Electrode charge exchange: 0.0780661787 Move Jump Cl: 0.93402 0.37036 Na: 0.93392 0.36987 ________________________________________________________________________ Create NaCl : 731289. / 1995517. = 0.36647 Destroy NaCl : 731301. / 1996022. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.15085504 Potential at right wall /kT = -1.17738993 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7505686 Potential at right wall /mV = -30.4365177 ________________________________________________________________________ Capacitance of left DL = 0.0481802904 Capacitance of right DL = 0.0470944491 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36128029 Capacitance of right DL [F/m2] = 3.28552698 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.18100444 Adsorption of ion 1 on right wall = -3.87320871 Adsorption of ion 2 on left wall = -3.86531513 Adsorption of ion 2 on right wall = 5.21765292 ------------------------------------------------------------------------ net charge in left DL = -9.04631957 9.11738436 net charge in right DL = 9.09086163 -9.11738436 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.56825557 Relative adsorption of ion 1 on right wall = -0.424815776 Relative adsorption of ion 2 on left wall = -0.423950003 Relative adsorption of ion 2 on right wall = 0.572275195 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 670------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00705451702 Right electrode charge = -0.00705451702 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99884 Bulk concentration of Na = 0.99861 ________________________________________________________________________ Average electrode charge 1 = 0.00788945414 Average electrode charge 2 = -0.00788945414 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338076 -0.510841 -0.508281 ________________________________________________________________________ Electrode charge exchange: 0.0780679892 Move Jump Cl: 0.93401 0.37037 Na: 0.93391 0.36987 ________________________________________________________________________ Create NaCl : 736825. / 2010704. = 0.36645 Destroy NaCl : 736838. / 2011128. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.14718724 Potential at right wall /kT = -1.17331048 ------------------------------------------------------------------------ Potential at left wall /mV = 29.655753 Potential at right wall /mV = -30.3310606 ________________________________________________________________________ Capacitance of left DL = 0.042817729 Capacitance of right DL = 0.0418644112 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37202701 Capacitance of right DL [F/m2] = 3.29695032 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1724704 Adsorption of ion 1 on right wall = -3.87448296 Adsorption of ion 2 on left wall = -3.870922 Adsorption of ion 2 on right wall = 5.21398534 ------------------------------------------------------------------------ net charge in left DL = -9.0433924 8.07677835 net charge in right DL = 9.0884683 -8.07677835 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.640412572 Relative adsorption of ion 1 on right wall = -0.479706486 Relative adsorption of ion 2 on left wall = -0.479265597 Relative adsorption of ion 2 on right wall = 0.64555261 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 675------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00834436672 Right electrode charge = -0.00834436672 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99897 Bulk concentration of Na = 0.99874 ________________________________________________________________________ Average electrode charge 1 = 0.00788989181 Average electrode charge 2 = -0.00788989181 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338344 -0.510841 -0.508548 ________________________________________________________________________ Electrode charge exchange: 0.0780687983 Move Jump Cl: 0.93399 0.37031 Na: 0.93392 0.36986 ________________________________________________________________________ Create NaCl : 742303. / 2025716. = 0.36644 Destroy NaCl : 742316. / 2026119. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.15084892 Potential at right wall /kT = -1.17673877 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7504103 Potential at right wall /mV = -30.4196848 ________________________________________________________________________ Capacitance of left DL = 0.0504853908 Capacitance of right DL = 0.0493746433 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36129819 Capacitance of right DL [F/m2] = 3.28734504 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16481899 Adsorption of ion 1 on right wall = -3.87696348 Adsorption of ion 2 on left wall = -3.88175326 Adsorption of ion 2 on right wall = 5.21382575 ------------------------------------------------------------------------ net charge in left DL = -9.04657225 9.55353857 net charge in right DL = 9.09078923 -9.55353857 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.540618426 Relative adsorption of ion 1 on right wall = -0.405814396 Relative adsorption of ion 2 on left wall = -0.406315758 Relative adsorption of ion 2 on right wall = 0.545748124 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 680------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00580653884 Right electrode charge = -0.00580653884 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99901 Bulk concentration of Na = 0.99879 ________________________________________________________________________ Average electrode charge 1 = 0.00789024508 Average electrode charge 2 = -0.00789024508 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338429 -0.510841 -0.508634 ________________________________________________________________________ Electrode charge exchange: 0.0780684925 Move Jump Cl: 0.93397 0.37032 Na: 0.93391 0.36985 ________________________________________________________________________ Create NaCl : 747807. / 2040783. = 0.36643 Destroy NaCl : 747805. / 2041032. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.15015361 Potential at right wall /kT = -1.17529585 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7324359 Potential at right wall /mV = -30.382384 ________________________________________________________________________ Capacitance of left DL = 0.0351521702 Capacitance of right DL = 0.0344001855 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36333021 Capacitance of right DL [F/m2] = 3.29138095 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.17081234 Adsorption of ion 1 on right wall = -3.87332675 Adsorption of ion 2 on left wall = -3.87625613 Adsorption of ion 2 on right wall = 5.21652855 ------------------------------------------------------------------------ net charge in left DL = -9.04706847 6.64795719 net charge in right DL = 9.0898553 -6.64795719 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.777804699 Relative adsorption of ion 1 on right wall = -0.58263413 Relative adsorption of ion 2 on left wall = -0.583074773 Relative adsorption of ion 2 on right wall = 0.78468143 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 685------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0107212026 Right electrode charge = -0.0107212026 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99894 Bulk concentration of Na = 0.99870 ________________________________________________________________________ Average electrode charge 1 = 0.00789087042 Average electrode charge 2 = -0.00789087042 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338270 -0.510841 -0.508475 ________________________________________________________________________ Electrode charge exchange: 0.0780611077 Move Jump Cl: 0.93397 0.37025 Na: 0.93394 0.36987 ________________________________________________________________________ Create NaCl : 753349. / 2055751. = 0.36646 Destroy NaCl : 753368. / 2056017. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.14649729 Potential at right wall /kT = -1.1714506 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6379171 Potential at right wall /mV = -30.282981 ________________________________________________________________________ Capacitance of left DL = 0.0651120134 Capacitance of right DL = 0.0637250493 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37405627 Capacitance of right DL [F/m2] = 3.30218482 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.18907881 Adsorption of ion 1 on right wall = -3.89203093 Adsorption of ion 2 on left wall = -3.85490587 Adsorption of ion 2 on right wall = 5.19778707 ------------------------------------------------------------------------ net charge in left DL = -9.04398468 12.2747988 net charge in right DL = 9.089818 -12.2747988 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.422742472 Relative adsorption of ion 1 on right wall = -0.317074925 Relative adsorption of ion 2 on left wall = -0.314050431 Relative adsorption of ion 2 on right wall = 0.423451915 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 690------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00706882345 Right electrode charge = -0.00706882345 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99899 Bulk concentration of Na = 0.99878 ________________________________________________________________________ Average electrode charge 1 = 0.00789135995 Average electrode charge 2 = -0.00789135995 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338402 -0.510841 -0.508607 ________________________________________________________________________ Electrode charge exchange: 0.0780640959 Move Jump Cl: 0.93395 0.37019 Na: 0.93394 0.36987 ________________________________________________________________________ Create NaCl : 758916. / 2070725. = 0.36650 Destroy NaCl : 758929. / 2071066. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.14493676 Potential at right wall /kT = -1.16949658 ------------------------------------------------------------------------ Potential at left wall /mV = 29.597576 Potential at right wall /mV = -30.2324679 ________________________________________________________________________ Capacitance of left DL = 0.0429888958 Capacitance of right DL = 0.0420861146 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37865507 Capacitance of right DL [F/m2] = 3.30770218 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.19990205 Adsorption of ion 1 on right wall = -3.90781703 Adsorption of ion 2 on left wall = -3.84666047 Adsorption of ion 2 on right wall = 5.17821682 ------------------------------------------------------------------------ net charge in left DL = -9.04656252 8.09315791 net charge in right DL = 9.08603386 -8.09315791 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.642505943 Relative adsorption of ion 1 on right wall = -0.482854416 Relative adsorption of ion 2 on left wall = -0.47529784 Relative adsorption of ion 2 on right wall = 0.639826491 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 695------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00916235407 Right electrode charge = -0.00916235407 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99901 Bulk concentration of Na = 0.99882 ________________________________________________________________________ Average electrode charge 1 = 0.0078895487 Average electrode charge 2 = -0.0078895487 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338465 -0.510841 -0.508669 ________________________________________________________________________ Electrode charge exchange: 0.0780590941 Move Jump Cl: 0.93398 0.37018 Na: 0.93391 0.36984 ________________________________________________________________________ Create NaCl : 764435. / 2085731. = 0.36651 Destroy NaCl : 764436. / 2086063. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.13788042 Potential at right wall /kT = -1.16326071 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4151638 Potential at right wall /mV = -30.0712655 ________________________________________________________________________ Capacitance of left DL = 0.0560661969 Capacitance of right DL = 0.054842932 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.39960711 Capacitance of right DL [F/m2] = 3.32543372 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.20040627 Adsorption of ion 1 on right wall = -3.91890884 Adsorption of ion 2 on left wall = -3.84053623 Adsorption of ion 2 on right wall = 5.16066377 ------------------------------------------------------------------------ net charge in left DL = -9.0409425 10.4900595 net charge in right DL = 9.07957261 -10.4900595 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.49574612 Relative adsorption of ion 1 on right wall = -0.373583091 Relative adsorption of ion 2 on left wall = -0.36611196 Relative adsorption of ion 2 on right wall = 0.491957533 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 700------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00792179652 Right electrode charge = -0.00792179652 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99920 Bulk concentration of Na = 0.99897 ________________________________________________________________________ Average electrode charge 1 = 0.00788471084 Average electrode charge 2 = -0.00788471084 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338805 -0.510841 -0.509010 ________________________________________________________________________ Electrode charge exchange: 0.0780472253 Move Jump Cl: 0.93399 0.37019 Na: 0.93390 0.36982 ________________________________________________________________________ Create NaCl : 769958. / 2100601. = 0.36654 Destroy NaCl : 769959. / 2101132. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.13712804 Potential at right wall /kT = -1.16251617 ------------------------------------------------------------------------ Potential at left wall /mV = 29.395714 Potential at right wall /mV = -30.0520186 ________________________________________________________________________ Capacitance of left DL = 0.0485070616 Capacitance of right DL = 0.0474477183 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40185647 Capacitance of right DL [F/m2] = 3.32756349 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.17765236 Adsorption of ion 1 on right wall = -3.92270645 Adsorption of ion 2 on left wall = -3.85399952 Adsorption of ion 2 on right wall = 5.15511857 ------------------------------------------------------------------------ net charge in left DL = -9.03165188 9.06973424 net charge in right DL = 9.07782502 -9.06973424 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.570871453 Relative adsorption of ion 1 on right wall = -0.432505115 Relative adsorption of ion 2 on left wall = -0.424929708 Relative adsorption of ion 2 on right wall = 0.568386949 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 705------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00509163229 Right electrode charge = -0.00509163229 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99935 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00787902875 Average electrode charge 2 = -0.00787902875 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339071 -0.510841 -0.509276 ________________________________________________________________________ Electrode charge exchange: 0.0780316856 Move Jump Cl: 0.93401 0.37021 Na: 0.93390 0.36976 ________________________________________________________________________ Create NaCl : 775452. / 2115650. = 0.36653 Destroy NaCl : 775464. / 2115971. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.13663336 Potential at right wall /kT = -1.16189906 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3829263 Potential at right wall /mV = -30.0360657 ________________________________________________________________________ Capacitance of left DL = 0.0311908554 Capacitance of right DL = 0.0305126049 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40333699 Capacitance of right DL [F/m2] = 3.32933085 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16527211 Adsorption of ion 1 on right wall = -3.93454704 Adsorption of ion 2 on left wall = -3.85649352 Adsorption of ion 2 on right wall = 5.13993509 ------------------------------------------------------------------------ net charge in left DL = -9.02176563 5.82945442 net charge in right DL = 9.07448213 -5.82945442 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.886064413 Relative adsorption of ion 1 on right wall = -0.674942585 Relative adsorption of ion 2 on left wall = -0.661553078 Relative adsorption of ion 2 on right wall = 0.881718033 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 710------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00733400496 Right electrode charge = -0.00733400496 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99930 Bulk concentration of Na = 0.99902 ________________________________________________________________________ Average electrode charge 1 = 0.00787516166 Average electrode charge 2 = -0.00787516166 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338955 -0.510841 -0.509160 ________________________________________________________________________ Electrode charge exchange: 0.078041907 Move Jump Cl: 0.93402 0.37026 Na: 0.93391 0.36982 ________________________________________________________________________ Create NaCl : 780897. / 2130584. = 0.36652 Destroy NaCl : 780901. / 2130784. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.13737485 Potential at right wall /kT = -1.1626553 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4020943 Potential at right wall /mV = -30.0556151 ________________________________________________________________________ Capacitance of left DL = 0.0448981278 Capacitance of right DL = 0.0439218756 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40111826 Capacitance of right DL [F/m2] = 3.32716531 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16236514 Adsorption of ion 1 on right wall = -3.92911983 Adsorption of ion 2 on left wall = -3.85474454 Adsorption of ion 2 on right wall = 5.14267189 ------------------------------------------------------------------------ net charge in left DL = -9.01710968 8.39676654 net charge in right DL = 9.07179172 -8.39676654 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.614803939 Relative adsorption of ion 1 on right wall = -0.467932485 Relative adsorption of ion 2 on left wall = -0.459074874 Relative adsorption of ion 2 on right wall = 0.612458602 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 715------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00620544199 Right electrode charge = -0.00620544199 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99937 Bulk concentration of Na = 0.99907 ________________________________________________________________________ Average electrode charge 1 = 0.00787888866 Average electrode charge 2 = -0.00787888866 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339071 -0.510841 -0.509276 ________________________________________________________________________ Electrode charge exchange: 0.0780382787 Move Jump Cl: 0.93403 0.37023 Na: 0.93391 0.36978 ________________________________________________________________________ Create NaCl : 786284. / 2145725. = 0.36644 Destroy NaCl : 786289. / 2145840. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.1404657 Potential at right wall /kT = -1.16540609 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4819953 Potential at right wall /mV = -30.1267254 ________________________________________________________________________ Capacitance of left DL = 0.0378862086 Capacitance of right DL = 0.037075421 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.39190068 Capacitance of right DL [F/m2] = 3.31931197 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15238504 Adsorption of ion 1 on right wall = -3.9158758 Adsorption of ion 2 on left wall = -3.86840145 Adsorption of ion 2 on right wall = 5.16412582 ------------------------------------------------------------------------ net charge in left DL = -9.0207865 7.10466491 net charge in right DL = 9.08000162 -7.10466491 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.725211548 Relative adsorption of ion 1 on right wall = -0.551169668 Relative adsorption of ion 2 on left wall = -0.544487531 Relative adsorption of ion 2 on right wall = 0.726864093 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 720------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00541744996 Right electrode charge = -0.00541744996 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99948 Bulk concentration of Na = 0.99918 ________________________________________________________________________ Average electrode charge 1 = 0.00787478797 Average electrode charge 2 = -0.00787478797 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339296 -0.510841 -0.509500 ________________________________________________________________________ Electrode charge exchange: 0.0780390541 Move Jump Cl: 0.93407 0.37021 Na: 0.93393 0.36976 ________________________________________________________________________ Create NaCl : 791802. / 2160771. = 0.36644 Destroy NaCl : 791806. / 2160730. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.13456588 Potential at right wall /kT = -1.15900017 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3294802 Potential at right wall /mV = -29.9611271 ________________________________________________________________________ Capacitance of left DL = 0.0332472586 Capacitance of right DL = 0.0325463328 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40953877 Capacitance of right DL [F/m2] = 3.33765815 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14093253 Adsorption of ion 1 on right wall = -3.91772869 Adsorption of ion 2 on left wall = -3.87218711 Adsorption of ion 2 on right wall = 5.15334958 ------------------------------------------------------------------------ net charge in left DL = -9.01311964 6.20248593 net charge in right DL = 9.07107828 -6.20248593 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.828850334 Relative adsorption of ion 1 on right wall = -0.631638466 Relative adsorption of ion 2 on left wall = -0.624295993 Relative adsorption of ion 2 on right wall = 0.830852282 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 725------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00345354192 Right electrode charge = -0.00345354192 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99961 Bulk concentration of Na = 0.99929 ________________________________________________________________________ Average electrode charge 1 = 0.00787466225 Average electrode charge 2 = -0.00787466225 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339535 -0.510841 -0.509739 ________________________________________________________________________ Electrode charge exchange: 0.0780416466 Move Jump Cl: 0.93407 0.37022 Na: 0.93394 0.36976 ________________________________________________________________________ Create NaCl : 797356. / 2175830. = 0.36646 Destroy NaCl : 797366. / 2175720. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.13730768 Potential at right wall /kT = -1.16105955 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4003579 Potential at right wall /mV = -30.0143638 ________________________________________________________________________ Capacitance of left DL = 0.021143526 Capacitance of right DL = 0.0207109914 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40131914 Capacitance of right DL [F/m2] = 3.33173812 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13124263 Adsorption of ion 1 on right wall = -3.92677921 Adsorption of ion 2 on left wall = -3.88004191 Adsorption of ion 2 on right wall = 5.1485197 ------------------------------------------------------------------------ net charge in left DL = -9.01128454 3.95399041 net charge in right DL = 9.0752989 -3.95399041 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.29773775 Relative adsorption of ion 1 on right wall = -0.993118041 Relative adsorption of ion 2 on left wall = -0.981297755 Relative adsorption of ion 2 on right wall = 1.30210728 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 730------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00941707874 Right electrode charge = -0.00941707874 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99967 Bulk concentration of Na = 0.99938 ________________________________________________________________________ Average electrode charge 1 = 0.00787521346 Average electrode charge 2 = -0.00787521346 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339694 -0.510841 -0.509898 ________________________________________________________________________ Electrode charge exchange: 0.078025639 Move Jump Cl: 0.93405 0.37018 Na: 0.93391 0.36978 ________________________________________________________________________ Create NaCl : 802787. / 2190848. = 0.36643 Destroy NaCl : 802787. / 2190762. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.13321111 Potential at right wall /kT = -1.15725874 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2944582 Potential at right wall /mV = -29.9161095 ________________________________________________________________________ Capacitance of left DL = 0.057862345 Capacitance of right DL = 0.0566599761 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.41361493 Capacitance of right DL [F/m2] = 3.34268064 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12783658 Adsorption of ion 1 on right wall = -3.93102871 Adsorption of ion 2 on left wall = -3.88547434 Adsorption of ion 2 on right wall = 5.13843799 ------------------------------------------------------------------------ net charge in left DL = -9.01331093 10.781696 net charge in right DL = 9.0694667 -10.781696 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.475605749 Relative adsorption of ion 1 on right wall = -0.364602074 Relative adsorption of ion 2 on left wall = -0.360376916 Relative adsorption of ion 2 on right wall = 0.476589027 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 735------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00898224993 Right electrode charge = -0.00898224993 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99969 Bulk concentration of Na = 0.99939 ________________________________________________________________________ Average electrode charge 1 = 0.00787810164 Average electrode charge 2 = -0.00787810164 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339712 -0.510841 -0.509916 ________________________________________________________________________ Electrode charge exchange: 0.0780198473 Move Jump Cl: 0.93404 0.37016 Na: 0.93391 0.36974 ________________________________________________________________________ Create NaCl : 808279. / 2205973. = 0.36640 Destroy NaCl : 808267. / 2205631. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.13314773 Potential at right wall /kT = -1.15632817 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2928197 Potential at right wall /mV = -29.8920537 ________________________________________________________________________ Capacitance of left DL = 0.0551936678 Capacitance of right DL = 0.0540872226 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.41380587 Capacitance of right DL [F/m2] = 3.34537068 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14690799 Adsorption of ion 1 on right wall = -3.93000346 Adsorption of ion 2 on left wall = -3.86842173 Adsorption of ion 2 on right wall = 5.14345525 ------------------------------------------------------------------------ net charge in left DL = -9.01532972 10.2838566 net charge in right DL = 9.07345872 -10.2838566 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.500484221 Relative adsorption of ion 1 on right wall = -0.382152688 Relative adsorption of ion 2 on left wall = -0.376164494 Relative adsorption of ion 2 on right wall = 0.500148478 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 740------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00936506677 Right electrode charge = -0.00936506677 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99987 Bulk concentration of Na = 0.99958 ________________________________________________________________________ Average electrode charge 1 = 0.00787971377 Average electrode charge 2 = -0.00787971377 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340082 -0.510841 -0.510286 ________________________________________________________________________ Electrode charge exchange: 0.0780216944 Move Jump Cl: 0.93405 0.37015 Na: 0.93390 0.36967 ________________________________________________________________________ Create NaCl : 813688. / 2221060. = 0.36635 Destroy NaCl : 813698. / 2220443. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.12807713 Potential at right wall /kT = -1.15183001 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1617404 Potential at right wall /mV = -29.7757723 ________________________________________________________________________ Capacitance of left DL = 0.0578046448 Capacitance of right DL = 0.0566126054 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42915061 Capacitance of right DL [F/m2] = 3.35843514 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14796106 Adsorption of ion 1 on right wall = -3.94249288 Adsorption of ion 2 on left wall = -3.8663777 Adsorption of ion 2 on right wall = 5.12927737 ------------------------------------------------------------------------ net charge in left DL = -9.01433876 10.722147 net charge in right DL = 9.07177025 -10.722147 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.480124089 Relative adsorption of ion 1 on right wall = -0.367696216 Relative adsorption of ion 2 on left wall = -0.360597341 Relative adsorption of ion 2 on right wall = 0.478381557 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 745------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00539762896 Right electrode charge = -0.00539762896 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99992 Bulk concentration of Na = 0.99963 ________________________________________________________________________ Average electrode charge 1 = 0.00788355954 Average electrode charge 2 = -0.00788355954 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340186 -0.510841 -0.510391 ________________________________________________________________________ Electrode charge exchange: 0.0780232387 Move Jump Cl: 0.93403 0.37015 Na: 0.93388 0.36965 ________________________________________________________________________ Create NaCl : 819086. / 2235986. = 0.36632 Destroy NaCl : 819095. / 2235460. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.13427079 Potential at right wall /kT = -1.15779282 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3218518 Potential at right wall /mV = -29.929916 ________________________________________________________________________ Capacitance of left DL = 0.0331342337 Capacitance of right DL = 0.0324610698 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.4104258 Capacitance of right DL [F/m2] = 3.34113868 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15126071 Adsorption of ion 1 on right wall = -3.93343493 Adsorption of ion 2 on left wall = -3.87171664 Adsorption of ion 2 on right wall = 5.14580943 ------------------------------------------------------------------------ net charge in left DL = -9.02297734 6.17979268 net charge in right DL = 9.07924436 -6.17979268 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.833565294 Relative adsorption of ion 1 on right wall = -0.636499496 Relative adsorption of ion 2 on left wall = -0.626512382 Relative adsorption of ion 2 on right wall = 0.83268318 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 750------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00774365836 Right electrode charge = -0.00774365836 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99982 Bulk concentration of Na = 0.99958 ________________________________________________________________________ Average electrode charge 1 = 0.00788186979 Average electrode charge 2 = -0.00788186979 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340027 -0.510841 -0.510231 ________________________________________________________________________ Electrode charge exchange: 0.0780345516 Move Jump Cl: 0.93403 0.37020 Na: 0.93387 0.36963 ________________________________________________________________________ Create NaCl : 824643. / 2251047. = 0.36634 Destroy NaCl : 824651. / 2250476. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.12572094 Potential at right wall /kT = -1.14715542 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1008309 Potential at right wall /mV = -29.6549303 ________________________________________________________________________ Capacitance of left DL = 0.0478967553 Capacitance of right DL = 0.0470018092 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.436328 Capacitance of right DL [F/m2] = 3.37212055 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14108028 Adsorption of ion 1 on right wall = -3.91876627 Adsorption of ion 2 on left wall = -3.8789433 Adsorption of ion 2 on right wall = 5.14781703 ------------------------------------------------------------------------ net charge in left DL = -9.02002358 8.8657823 net charge in right DL = 9.06658331 -8.8657823 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.579878922 Relative adsorption of ion 1 on right wall = -0.442010207 Relative adsorption of ion 2 on left wall = -0.437518446 Relative adsorption of ion 2 on right wall = 0.580638781 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 755------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00688340498 Right electrode charge = -0.00688340498 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99986 Bulk concentration of Na = 0.99958 ________________________________________________________________________ Average electrode charge 1 = 0.00788333577 Average electrode charge 2 = -0.00788333577 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340080 -0.510841 -0.510285 ________________________________________________________________________ Electrode charge exchange: 0.0780253463 Move Jump Cl: 0.93403 0.37022 Na: 0.93386 0.36966 ________________________________________________________________________ Create NaCl : 830153. / 2266120. = 0.36633 Destroy NaCl : 830144. / 2265412. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.12384498 Potential at right wall /kT = -1.14571729 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0523358 Potential at right wall /mV = -29.6177533 ________________________________________________________________________ Capacitance of left DL = 0.0426469096 Capacitance of right DL = 0.041832759 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44206403 Capacitance of right DL [F/m2] = 3.37635333 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14678078 Adsorption of ion 1 on right wall = -3.92055035 Adsorption of ion 2 on left wall = -3.86993218 Adsorption of ion 2 on right wall = 5.15067709 ------------------------------------------------------------------------ net charge in left DL = -9.01671296 7.88087067 net charge in right DL = 9.07122744 -7.88087067 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.65307261 Relative adsorption of ion 1 on right wall = -0.497476803 Relative adsorption of ion 2 on left wall = -0.491053888 Relative adsorption of ion 2 on right wall = 0.653567011 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 760------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00894788608 Right electrode charge = -0.00894788608 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 175 -1.00 3.0000 1.5000 Na ion: 175 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99987 Bulk concentration of Na = 0.99961 ________________________________________________________________________ Average electrode charge 1 = 0.00788447252 Average electrode charge 2 = -0.00788447252 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340118 -0.510841 -0.510322 ________________________________________________________________________ Electrode charge exchange: 0.0780288988 Move Jump Cl: 0.93404 0.37023 Na: 0.93389 0.36963 ________________________________________________________________________ Create NaCl : 835642. / 2281009. = 0.36635 Destroy NaCl : 835667. / 2280485. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.12881808 Potential at right wall /kT = -1.15076197 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1808946 Potential at right wall /mV = -29.7481626 ________________________________________________________________________ Capacitance of left DL = 0.0551933994 Capacitance of right DL = 0.0541409159 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42689974 Capacitance of right DL [F/m2] = 3.36155215 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15064776 Adsorption of ion 1 on right wall = -3.93376649 Adsorption of ion 2 on left wall = -3.87183296 Adsorption of ion 2 on right wall = 5.14045257 ------------------------------------------------------------------------ net charge in left DL = -9.02248072 10.2445132 net charge in right DL = 9.07421906 -10.2445132 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.502771354 Relative adsorption of ion 1 on right wall = -0.383987646 Relative adsorption of ion 2 on left wall = -0.377942113 Relative adsorption of ion 2 on right wall = 0.501776168 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 765------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00901036035 Right electrode charge = -0.00901036035 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99989 Bulk concentration of Na = 0.99962 ________________________________________________________________________ Average electrode charge 1 = 0.00788798496 Average electrode charge 2 = -0.00788798496 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340146 -0.510841 -0.510350 ________________________________________________________________________ Electrode charge exchange: 0.078029176 Move Jump Cl: 0.93405 0.37025 Na: 0.93388 0.36967 ________________________________________________________________________ Create NaCl : 841172. / 2295905. = 0.36638 Destroy NaCl : 841173. / 2295490. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.13068869 Potential at right wall /kT = -1.15311484 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2292515 Potential at right wall /mV = -29.8089863 ________________________________________________________________________ Capacitance of left DL = 0.0554868109 Capacitance of right DL = 0.0544076856 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42123027 Capacitance of right DL [F/m2] = 3.35469308 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15064432 Adsorption of ion 1 on right wall = -3.94071124 Adsorption of ion 2 on left wall = -3.87737709 Adsorption of ion 2 on right wall = 5.13833228 ------------------------------------------------------------------------ net charge in left DL = -9.0280214 10.3160405 net charge in right DL = 9.07904352 -10.3160405 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.499285003 Relative adsorption of ion 1 on right wall = -0.381998426 Relative adsorption of ion 2 on left wall = -0.37585904 Relative adsorption of ion 2 on right wall = 0.498091519 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 770------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.006881708 Right electrode charge = -0.006881708 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99971 Bulk concentration of Na = 0.99950 ________________________________________________________________________ Average electrode charge 1 = 0.00788215237 Average electrode charge 2 = -0.00788215237 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339846 -0.510841 -0.510051 ________________________________________________________________________ Electrode charge exchange: 0.0780258496 Move Jump Cl: 0.93407 0.37025 Na: 0.93392 0.36967 ________________________________________________________________________ Create NaCl : 846764. / 2310977. = 0.36641 Destroy NaCl : 846777. / 2310571. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.12687216 Potential at right wall /kT = -1.14850832 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1305911 Potential at right wall /mV = -29.6899039 ________________________________________________________________________ Capacitance of left DL = 0.0425218589 Capacitance of right DL = 0.0417208115 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.4328174 Capacitance of right DL [F/m2] = 3.36814832 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15498888 Adsorption of ion 1 on right wall = -3.9353003 Adsorption of ion 2 on left wall = -3.86882509 Adsorption of ion 2 on right wall = 5.12960413 ------------------------------------------------------------------------ net charge in left DL = -9.02381397 7.87892778 net charge in right DL = 9.06490443 -7.87892778 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.654275432 Relative adsorption of ion 1 on right wall = -0.499471554 Relative adsorption of ion 2 on left wall = -0.491034466 Relative adsorption of ion 2 on right wall = 0.651053579 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 775------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00401787866 Right electrode charge = -0.00401787866 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99969 Bulk concentration of Na = 0.99945 ________________________________________________________________________ Average electrode charge 1 = 0.00787805449 Average electrode charge 2 = -0.00787805449 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339775 -0.510841 -0.509979 ________________________________________________________________________ Electrode charge exchange: 0.0780415751 Move Jump Cl: 0.93405 0.37026 Na: 0.93389 0.36968 ________________________________________________________________________ Create NaCl : 852272. / 2325809. = 0.36644 Destroy NaCl : 852274. / 2325649. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.12796764 Potential at right wall /kT = -1.1496354 ------------------------------------------------------------------------ Potential at left wall /mV = 29.15891 Potential at right wall /mV = -29.7190399 ________________________________________________________________________ Capacitance of left DL = 0.0248022357 Capacitance of right DL = 0.0243347753 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42948347 Capacitance of right DL [F/m2] = 3.36484625 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14803975 Adsorption of ion 1 on right wall = -3.93982874 Adsorption of ion 2 on left wall = -3.86976632 Adsorption of ion 2 on right wall = 5.12327465 ------------------------------------------------------------------------ net charge in left DL = -9.01780607 4.60010448 net charge in right DL = 9.06310339 -4.60010448 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.11911366 Relative adsorption of ion 1 on right wall = -0.856465056 Relative adsorption of ion 2 on left wall = -0.841234441 Relative adsorption of ion 2 on right wall = 1.11373006 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 780------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00646387667 Right electrode charge = -0.00646387667 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99949 ________________________________________________________________________ Average electrode charge 1 = 0.00787536112 Average electrode charge 2 = -0.00787536112 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339855 -0.510841 -0.510059 ________________________________________________________________________ Electrode charge exchange: 0.0780428945 Move Jump Cl: 0.93403 0.37024 Na: 0.93387 0.36965 ________________________________________________________________________ Create NaCl : 857698. / 2340718. = 0.36643 Destroy NaCl : 857711. / 2340566. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.13000799 Potential at right wall /kT = -1.15098074 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2116548 Potential at right wall /mV = -29.7538179 ________________________________________________________________________ Capacitance of left DL = 0.0398292566 Capacitance of right DL = 0.0391035025 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42329118 Capacitance of right DL [F/m2] = 3.36091322 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14220183 Adsorption of ion 1 on right wall = -3.93254165 Adsorption of ion 2 on left wall = -3.87263554 Adsorption of ion 2 on right wall = 5.12961265 ------------------------------------------------------------------------ net charge in left DL = -9.01483737 7.40054903 net charge in right DL = 9.0621543 -7.40054903 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.694840587 Relative adsorption of ion 1 on right wall = -0.531385122 Relative adsorption of ion 2 on left wall = -0.523290302 Relative adsorption of ion 2 on right wall = 0.693139472 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 785------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00771678055 Right electrode charge = -0.00771678055 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.00787148392 Average electrode charge 2 = -0.00787148392 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339808 -0.510841 -0.510013 ________________________________________________________________________ Electrode charge exchange: 0.0780463084 Move Jump Cl: 0.93401 0.37024 Na: 0.93389 0.36966 ________________________________________________________________________ Create NaCl : 863153. / 2355843. = 0.36639 Destroy NaCl : 863162. / 2355455. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.12428565 Potential at right wall /kT = -1.14471091 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0637275 Potential at right wall /mV = -29.5917376 ________________________________________________________________________ Capacitance of left DL = 0.0477914422 Capacitance of right DL = 0.0469386918 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44071489 Capacitance of right DL [F/m2] = 3.37932166 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14051282 Adsorption of ion 1 on right wall = -3.92796117 Adsorption of ion 2 on left wall = -3.86156146 Adsorption of ion 2 on right wall = 5.13120022 ------------------------------------------------------------------------ net charge in left DL = -9.00207428 8.83500966 net charge in right DL = 9.05916139 -8.83500966 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581834431 Relative adsorption of ion 1 on right wall = -0.444590478 Relative adsorption of ion 2 on left wall = -0.437074956 Relative adsorption of ion 2 on right wall = 0.580780375 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 790------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00752007224 Right electrode charge = -0.00752007224 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99978 Bulk concentration of Na = 0.99946 ________________________________________________________________________ Average electrode charge 1 = 0.00787097906 Average electrode charge 2 = -0.00787097906 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339869 -0.510841 -0.510074 ________________________________________________________________________ Electrode charge exchange: 0.0780503577 Move Jump Cl: 0.93402 0.37022 Na: 0.93391 0.36969 ________________________________________________________________________ Create NaCl : 868635. / 2370855. = 0.36638 Destroy NaCl : 868654. / 2370544. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.12114181 Potential at right wall /kT = -1.14212709 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9824567 Potential at right wall /mV = -29.5249437 ________________________________________________________________________ Capacitance of left DL = 0.0467037891 Capacitance of right DL = 0.0458456605 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.45036313 Capacitance of right DL [F/m2] = 3.38696666 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14618209 Adsorption of ion 1 on right wall = -3.93977698 Adsorption of ion 2 on left wall = -3.85075867 Adsorption of ion 2 on right wall = 5.11930947 ------------------------------------------------------------------------ net charge in left DL = -8.99694077 8.6097966 net charge in right DL = 9.05908645 -8.6097966 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.597712389 Relative adsorption of ion 1 on right wall = -0.457592341 Relative adsorption of ion 2 on left wall = -0.447253153 Relative adsorption of ion 2 on right wall = 0.594591221 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 795------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00787133525 Right electrode charge = -0.00787133525 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99984 Bulk concentration of Na = 0.99948 ________________________________________________________________________ Average electrode charge 1 = 0.00787112748 Average electrode charge 2 = -0.00787112748 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339955 -0.510841 -0.510160 ________________________________________________________________________ Electrode charge exchange: 0.0780616419 Move Jump Cl: 0.93403 0.37019 Na: 0.93394 0.36969 ________________________________________________________________________ Create NaCl : 874189. / 2385996. = 0.36638 Destroy NaCl : 874186. / 2385509. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.12473276 Potential at right wall /kT = -1.14530921 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0752857 Potential at right wall /mV = -29.6072041 ________________________________________________________________________ Capacitance of left DL = 0.0487292489 Capacitance of right DL = 0.0478537869 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43934711 Capacitance of right DL [F/m2] = 3.37755634 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14180112 Adsorption of ion 1 on right wall = -3.93833285 Adsorption of ion 2 on left wall = -3.8540344 Adsorption of ion 2 on right wall = 5.12628426 ------------------------------------------------------------------------ net charge in left DL = -8.99583552 9.01196069 net charge in right DL = 9.0646171 -9.01196069 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.57055299 Relative adsorption of ion 1 on right wall = -0.437011765 Relative adsorption of ion 2 on left wall = -0.427657702 Relative adsorption of ion 2 on right wall = 0.568831182 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 800------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0087727906 Right electrode charge = -0.0087727906 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99979 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.00787069778 Average electrode charge 2 = -0.00787069778 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339869 -0.510841 -0.510073 ________________________________________________________________________ Electrode charge exchange: 0.0780516359 Move Jump Cl: 0.93402 0.37021 Na: 0.93395 0.36966 ________________________________________________________________________ Create NaCl : 879665. / 2400913. = 0.36639 Destroy NaCl : 879673. / 2400672. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.12471566 Potential at right wall /kT = -1.14519028 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0748436 Potential at right wall /mV = -29.6041299 ________________________________________________________________________ Capacitance of left DL = 0.0543107344 Capacitance of right DL = 0.0533397236 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43939942 Capacitance of right DL [F/m2] = 3.37790708 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13559119 Adsorption of ion 1 on right wall = -3.91960017 Adsorption of ion 2 on left wall = -3.86078051 Adsorption of ion 2 on right wall = 5.14361938 ------------------------------------------------------------------------ net charge in left DL = -8.9963717 10.0440448 net charge in right DL = 9.06321955 -10.0440448 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.511307075 Relative adsorption of ion 1 on right wall = -0.390241206 Relative adsorption of ion 2 on left wall = -0.384385034 Relative adsorption of ion 2 on right wall = 0.512106375 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 805------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00771886658 Right electrode charge = -0.00771886658 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99984 Bulk concentration of Na = 0.99942 ________________________________________________________________________ Average electrode charge 1 = 0.00786877782 Average electrode charge 2 = -0.00786877782 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339893 -0.510841 -0.510098 ________________________________________________________________________ Electrode charge exchange: 0.0780360295 Move Jump Cl: 0.93404 0.37020 Na: 0.93394 0.36969 ________________________________________________________________________ Create NaCl : 885173. / 2415895. = 0.36640 Destroy NaCl : 885182. / 2415569. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.12735754 Potential at right wall /kT = -1.14714249 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1431384 Potential at right wall /mV = -29.6545959 ________________________________________________________________________ Capacitance of left DL = 0.0476741012 Capacitance of right DL = 0.0468518584 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43133944 Capacitance of right DL [F/m2] = 3.37215858 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12951642 Adsorption of ion 1 on right wall = -3.92521815 Adsorption of ion 2 on left wall = -3.8589458 Adsorption of ion 2 on right wall = 5.14476621 ------------------------------------------------------------------------ net charge in left DL = -8.98846222 8.83739797 net charge in right DL = 9.06998436 -8.83739797 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.580432887 Relative adsorption of ion 1 on right wall = -0.44415994 Relative adsorption of ion 2 on left wall = -0.43666086 Relative adsorption of ion 2 on right wall = 0.582158484 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 810------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00556503393 Right electrode charge = -0.00556503393 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99991 Bulk concentration of Na = 0.99947 ________________________________________________________________________ Average electrode charge 1 = 0.007868038 Average electrode charge 2 = -0.007868038 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340016 -0.510841 -0.510221 ________________________________________________________________________ Electrode charge exchange: 0.0780307241 Move Jump Cl: 0.93401 0.37018 Na: 0.93394 0.36968 ________________________________________________________________________ Create NaCl : 890606. / 2430842. = 0.36638 Destroy NaCl : 890612. / 2430509. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.12764059 Potential at right wall /kT = -1.1468227 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1504555 Potential at right wall /mV = -29.6463291 ________________________________________________________________________ Capacitance of left DL = 0.0343627388 Capacitance of right DL = 0.033787977 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43047813 Capacitance of right DL [F/m2] = 3.37309889 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11658543 Adsorption of ion 1 on right wall = -3.91424183 Adsorption of ion 2 on left wall = -3.86822322 Adsorption of ion 2 on right wall = 5.15769479 ------------------------------------------------------------------------ net charge in left DL = -8.98480865 6.3714561 net charge in right DL = 9.07193662 -6.3714561 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.803048055 Relative adsorption of ion 1 on right wall = -0.614340233 Relative adsorption of ion 2 on left wall = -0.607117612 Relative adsorption of ion 2 on right wall = 0.809500168 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 815------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00647570715 Right electrode charge = -0.00647570715 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99994 Bulk concentration of Na = 0.99948 ________________________________________________________________________ Average electrode charge 1 = 0.00787335052 Average electrode charge 2 = -0.00787335052 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340055 -0.510841 -0.510259 ________________________________________________________________________ Electrode charge exchange: 0.0780325467 Move Jump Cl: 0.93398 0.37018 Na: 0.93393 0.36966 ________________________________________________________________________ Create NaCl : 896113. / 2445914. = 0.36637 Destroy NaCl : 896133. / 2445585. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.12696545 Potential at right wall /kT = -1.1458244 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1330026 Potential at right wall /mV = -29.6205223 ________________________________________________________________________ Capacitance of left DL = 0.0400098804 Capacitance of right DL = 0.0393513638 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43253325 Capacitance of right DL [F/m2] = 3.37603771 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11736179 Adsorption of ion 1 on right wall = -3.92271847 Adsorption of ion 2 on left wall = -3.87158492 Adsorption of ion 2 on right wall = 5.15588144 ------------------------------------------------------------------------ net charge in left DL = -8.98894671 7.41409386 net charge in right DL = 9.07859991 -7.41409386 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.6902208 Relative adsorption of ion 1 on right wall = -0.5290894 Relative adsorption of ion 2 on left wall = -0.522192596 Relative adsorption of ion 2 on right wall = 0.695416263 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 820------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00555291563 Right electrode charge = -0.00555291563 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99989 Bulk concentration of Na = 0.99946 ________________________________________________________________________ Average electrode charge 1 = 0.00786733812 Average electrode charge 2 = -0.00786733812 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339983 -0.510841 -0.510188 ________________________________________________________________________ Electrode charge exchange: 0.0780383984 Move Jump Cl: 0.93397 0.37020 Na: 0.93390 0.36967 ________________________________________________________________________ Create NaCl : 901583. / 2460986. = 0.36635 Destroy NaCl : 901587. / 2460489. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.12816931 Potential at right wall /kT = -1.14672385 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1641235 Potential at right wall /mV = -29.6437738 ________________________________________________________________________ Capacitance of left DL = 0.0342718419 Capacitance of right DL = 0.0337173073 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42887041 Capacitance of right DL [F/m2] = 3.37338966 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11381376 Adsorption of ion 1 on right wall = -3.91850545 Adsorption of ion 2 on left wall = -3.87186257 Adsorption of ion 2 on right wall = 5.1517729 ------------------------------------------------------------------------ net charge in left DL = -8.98567633 6.35758176 net charge in right DL = 9.07027835 -6.35758176 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.804364607 Relative adsorption of ion 1 on right wall = -0.616351562 Relative adsorption of ion 2 on left wall = -0.609014987 Relative adsorption of ion 2 on right wall = 0.810335295 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 825------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00990008645 Right electrode charge = -0.00990008645 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99986 Bulk concentration of Na = 0.99942 ________________________________________________________________________ Average electrode charge 1 = 0.00786499204 Average electrode charge 2 = -0.00786499204 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339912 -0.510841 -0.510117 ________________________________________________________________________ Electrode charge exchange: 0.0780546635 Move Jump Cl: 0.93396 0.37020 Na: 0.93390 0.36970 ________________________________________________________________________ Create NaCl : 907122. / 2476011. = 0.36636 Destroy NaCl : 907124. / 2475424. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.13126105 Potential at right wall /kT = -1.14951422 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2440475 Potential at right wall /mV = -29.7159072 ________________________________________________________________________ Capacitance of left DL = 0.0609349986 Capacitance of right DL = 0.05996741 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.4194993 Capacitance of right DL [F/m2] = 3.36520098 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11802026 Adsorption of ion 1 on right wall = -3.91775964 Adsorption of ion 2 on left wall = -3.86627788 Adsorption of ion 2 on right wall = 5.15254727 ------------------------------------------------------------------------ net charge in left DL = -8.98429814 11.3346957 net charge in right DL = 9.07030691 -11.3346957 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.451535744 Relative adsorption of ion 1 on right wall = -0.345643124 Relative adsorption of ion 2 on left wall = -0.341101162 Relative adsorption of ion 2 on right wall = 0.454581878 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 830------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00735979548 Right electrode charge = -0.00735979548 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99986 Bulk concentration of Na = 0.99943 ________________________________________________________________________ Average electrode charge 1 = 0.00786519971 Average electrode charge 2 = -0.00786519971 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339923 -0.510841 -0.510128 ________________________________________________________________________ Electrode charge exchange: 0.078060602 Move Jump Cl: 0.93397 0.37019 Na: 0.93391 0.36972 ________________________________________________________________________ Create NaCl : 912608. / 2491100. = 0.36635 Destroy NaCl : 912607. / 2490405. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.13147882 Potential at right wall /kT = -1.15014591 ------------------------------------------------------------------------ Potential at left wall /mV = 29.249677 Potential at right wall /mV = -29.7322371 ________________________________________________________________________ Capacitance of left DL = 0.0452907978 Capacitance of right DL = 0.0445557192 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.41884118 Capacitance of right DL [F/m2] = 3.36335271 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1165628 Adsorption of ion 1 on right wall = -3.92110165 Adsorption of ion 2 on left wall = -3.86926012 Adsorption of ion 2 on right wall = 5.14879289 ------------------------------------------------------------------------ net charge in left DL = -8.98582293 8.42629433 net charge in right DL = 9.06989454 -8.42629433 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.607213871 Relative adsorption of ion 1 on right wall = -0.465341169 Relative adsorption of ion 2 on left wall = -0.459188817 Relative adsorption of ion 2 on right wall = 0.611038813 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 835------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0068764765 Right electrode charge = -0.0068764765 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99985 Bulk concentration of Na = 0.99943 ________________________________________________________________________ Average electrode charge 1 = 0.00786474255 Average electrode charge 2 = -0.00786474255 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339915 -0.510841 -0.510120 ________________________________________________________________________ Electrode charge exchange: 0.0780563144 Move Jump Cl: 0.93399 0.37017 Na: 0.93393 0.36974 ________________________________________________________________________ Create NaCl : 918000. / 2506110. = 0.36630 Destroy NaCl : 918009. / 2505215. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.12948755 Potential at right wall /kT = -1.14850886 ------------------------------------------------------------------------ Potential at left wall /mV = 29.198201 Potential at right wall /mV = -29.6899179 ________________________________________________________________________ Capacitance of left DL = 0.042391147 Capacitance of right DL = 0.0416890756 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42486854 Capacitance of right DL [F/m2] = 3.36814674 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.10411949 Adsorption of ion 1 on right wall = -3.90702402 Adsorption of ion 2 on left wall = -3.88083969 Adsorption of ion 2 on right wall = 5.1607178 ------------------------------------------------------------------------ net charge in left DL = -8.98495918 7.87293819 net charge in right DL = 9.06774182 -7.87293819 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.648311897 Relative adsorption of ion 1 on right wall = -0.496259964 Relative adsorption of ion 2 on left wall = -0.492934098 Relative adsorption of ion 2 on right wall = 0.655500866 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 840------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00896165038 Right electrode charge = -0.00896165038 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99975 Bulk concentration of Na = 0.99933 ________________________________________________________________________ Average electrode charge 1 = 0.00785989547 Average electrode charge 2 = -0.00785989547 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339714 -0.510841 -0.509919 ________________________________________________________________________ Electrode charge exchange: 0.0780583258 Move Jump Cl: 0.93399 0.37019 Na: 0.93392 0.36970 ________________________________________________________________________ Create NaCl : 923539. / 2521205. = 0.36631 Destroy NaCl : 923540. / 2520401. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.12364302 Potential at right wall /kT = -1.14303249 ------------------------------------------------------------------------ Potential at left wall /mV = 29.047115 Potential at right wall /mV = -29.5483491 ________________________________________________________________________ Capacitance of left DL = 0.0555328921 Capacitance of right DL = 0.0545908775 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44268269 Capacitance of right DL [F/m2] = 3.38428383 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.10504236 Adsorption of ion 1 on right wall = -3.90464603 Adsorption of ion 2 on left wall = -3.87149525 Adsorption of ion 2 on right wall = 5.15392092 ------------------------------------------------------------------------ net charge in left DL = -8.97653761 10.260272 net charge in right DL = 9.05856695 -10.260272 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.497554289 Relative adsorption of ion 1 on right wall = -0.380559698 Relative adsorption of ion 2 on left wall = -0.377328714 Relative adsorption of ion 2 on right wall = 0.502318155 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 845------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00975672361 Right electrode charge = -0.00975672361 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99980 Bulk concentration of Na = 0.99937 ________________________________________________________________________ Average electrode charge 1 = 0.00786086759 Average electrode charge 2 = -0.00786086759 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339803 -0.510841 -0.510008 ________________________________________________________________________ Electrode charge exchange: 0.0780666886 Move Jump Cl: 0.93399 0.37018 Na: 0.93395 0.36967 ________________________________________________________________________ Create NaCl : 929016. / 2536176. = 0.36631 Destroy NaCl : 929021. / 2535308. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.12285906 Potential at right wall /kT = -1.14248852 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0268489 Potential at right wall /mV = -29.534287 ________________________________________________________________________ Capacitance of left DL = 0.060501955 Capacitance of right DL = 0.0594624515 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44508631 Capacitance of right DL [F/m2] = 3.38589518 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.102895 Adsorption of ion 1 on right wall = -3.90288764 Adsorption of ion 2 on left wall = -3.87430303 Adsorption of ion 2 on right wall = 5.15673977 ------------------------------------------------------------------------ net charge in left DL = -8.97719803 11.1705584 net charge in right DL = 9.05962741 -11.1705584 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.456816467 Relative adsorption of ion 1 on right wall = -0.34939056 Relative adsorption of ion 2 on left wall = -0.346831636 Relative adsorption of ion 2 on right wall = 0.461636707 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 850------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00556996475 Right electrode charge = -0.00556996475 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99969 Bulk concentration of Na = 0.99925 ________________________________________________________________________ Average electrode charge 1 = 0.00785178708 Average electrode charge 2 = -0.00785178708 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339583 -0.510841 -0.509788 ________________________________________________________________________ Electrode charge exchange: 0.07808288 Move Jump Cl: 0.93398 0.37016 Na: 0.93394 0.36966 ________________________________________________________________________ Create NaCl : 934517. / 2551239. = 0.36630 Destroy NaCl : 934525. / 2550229. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.12286437 Potential at right wall /kT = -1.14232897 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0269863 Potential at right wall /mV = -29.5301626 ________________________________________________________________________ Capacitance of left DL = 0.0345394801 Capacitance of right DL = 0.0339509481 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44507001 Capacitance of right DL [F/m2] = 3.38636808 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.10021691 Adsorption of ion 1 on right wall = -3.89031279 Adsorption of ion 2 on left wall = -3.86544125 Adsorption of ion 2 on right wall = 5.16119787 ------------------------------------------------------------------------ net charge in left DL = -8.96565816 6.37710144 net charge in right DL = 9.05151066 -6.37710144 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.799770391 Relative adsorption of ion 1 on right wall = -0.61004405 Relative adsorption of ion 2 on left wall = -0.606143917 Relative adsorption of ion 2 on right wall = 0.809332879 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 855------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00474000149 Right electrode charge = -0.00474000149 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99959 Bulk concentration of Na = 0.99915 ________________________________________________________________________ Average electrode charge 1 = 0.00784917058 Average electrode charge 2 = -0.00784917058 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339380 -0.510841 -0.509584 ________________________________________________________________________ Electrode charge exchange: 0.0781022453 Move Jump Cl: 0.93395 0.37014 Na: 0.93391 0.36965 ________________________________________________________________________ Create NaCl : 940046. / 2566324. = 0.36630 Destroy NaCl : 940065. / 2565292. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.12414463 Potential at right wall /kT = -1.14396818 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0600819 Potential at right wall /mV = -29.5725373 ________________________________________________________________________ Capacitance of left DL = 0.0293593842 Capacitance of right DL = 0.0288506225 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44114653 Capacitance of right DL [F/m2] = 3.38151572 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09284053 Adsorption of ion 1 on right wall = -3.87645362 Adsorption of ion 2 on left wall = -3.8704844 Adsorption of ion 2 on right wall = 5.17353197 ------------------------------------------------------------------------ net charge in left DL = -8.96332493 5.42686924 net charge in right DL = 9.04998559 -5.42686924 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.938449096 Relative adsorption of ion 1 on right wall = -0.714307542 Relative adsorption of ion 2 on left wall = -0.713207604 Relative adsorption of ion 2 on right wall = 0.953317971 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 860------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00855158725 Right electrode charge = -0.00855158725 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99953 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00784435063 Average electrode charge 2 = -0.00784435063 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339216 -0.510841 -0.509420 ________________________________________________________________________ Electrode charge exchange: 0.0781021726 Move Jump Cl: 0.93393 0.37018 Na: 0.93389 0.36964 ________________________________________________________________________ Create NaCl : 945632. / 2581358. = 0.36633 Destroy NaCl : 945644. / 2580336. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.12206508 Potential at right wall /kT = -1.14168038 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0063238 Potential at right wall /mV = -29.5133958 ________________________________________________________________________ Capacitance of left DL = 0.0530663649 Capacitance of right DL = 0.0521546274 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44752408 Capacitance of right DL [F/m2] = 3.3882919 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09007093 Adsorption of ion 1 on right wall = -3.87260281 Adsorption of ion 2 on left wall = -3.8642508 Adsorption of ion 2 on right wall = 5.17319135 ------------------------------------------------------------------------ net charge in left DL = -8.95432174 9.79078718 net charge in right DL = 9.04579415 -9.79078718 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519883728 Relative adsorption of ion 1 on right wall = -0.395535388 Relative adsorption of ion 2 on left wall = -0.394682341 Relative adsorption of ion 2 on right wall = 0.528373384 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 865------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00574582292 Right electrode charge = -0.00574582292 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99967 Bulk concentration of Na = 0.99919 ________________________________________________________________________ Average electrode charge 1 = 0.00784872559 Average electrode charge 2 = -0.00784872559 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339491 -0.510841 -0.509696 ________________________________________________________________________ Electrode charge exchange: 0.0781011394 Move Jump Cl: 0.93393 0.37018 Na: 0.93390 0.36961 ________________________________________________________________________ Create NaCl : 951083. / 2596431. = 0.36630 Destroy NaCl : 951096. / 2595160. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.12097764 Potential at right wall /kT = -1.1409326 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9782128 Potential at right wall /mV = -29.4940652 ________________________________________________________________________ Capacitance of left DL = 0.03568995 Capacitance of right DL = 0.0350657312 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.45086844 Capacitance of right DL [F/m2] = 3.39051261 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09597211 Adsorption of ion 1 on right wall = -3.88513945 Adsorption of ion 2 on left wall = -3.8619893 Adsorption of ion 2 on right wall = 5.16549664 ------------------------------------------------------------------------ net charge in left DL = -8.95796141 6.578443 net charge in right DL = 9.05063609 -6.578443 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.774647147 Relative adsorption of ion 1 on right wall = -0.590586473 Relative adsorption of ion 2 on left wall = -0.58706738 Relative adsorption of ion 2 on right wall = 0.785215686 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 870------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0091316187 Right electrode charge = -0.0091316187 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 208 -1.00 3.0000 1.5000 Na ion: 208 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99922 ________________________________________________________________________ Average electrode charge 1 = 0.00784793048 Average electrode charge 2 = -0.00784793048 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339589 -0.510841 -0.509794 ________________________________________________________________________ Electrode charge exchange: 0.0780694272 Move Jump Cl: 0.93393 0.37016 Na: 0.93389 0.36956 ________________________________________________________________________ Create NaCl : 956662. / 2611542. = 0.36632 Destroy NaCl : 956654. / 2610193. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.11710202 Potential at right wall /kT = -1.13753596 ------------------------------------------------------------------------ Potential at left wall /mV = 28.8780247 Potential at right wall /mV = -29.4062593 ________________________________________________________________________ Capacitance of left DL = 0.0569174696 Capacitance of right DL = 0.0558950418 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.46284073 Capacitance of right DL [F/m2] = 3.40063654 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08551594 Adsorption of ion 1 on right wall = -3.88286011 Adsorption of ion 2 on left wall = -3.86584547 Adsorption of ion 2 on right wall = 5.16842561 ------------------------------------------------------------------------ net charge in left DL = -8.95136141 10.4548703 net charge in right DL = 9.05128572 -10.4548703 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.486425543 Relative adsorption of ion 1 on right wall = -0.371392472 Relative adsorption of ion 2 on left wall = -0.369765035 Relative adsorption of ion 2 on right wall = 0.494355786 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 875------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0127614862 Right electrode charge = -0.0127614862 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00784350722 Average electrode charge 2 = -0.00784350722 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339618 -0.510841 -0.509822 ________________________________________________________________________ Electrode charge exchange: 0.0780763008 Move Jump Cl: 0.93393 0.37016 Na: 0.93389 0.36957 ________________________________________________________________________ Create NaCl : 962245. / 2626675. = 0.36634 Destroy NaCl : 962244. / 2625010. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.11878964 Potential at right wall /kT = -1.13852269 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9216511 Potential at right wall /mV = -29.4317669 ________________________________________________________________________ Capacitance of left DL = 0.0794224849 Capacitance of right DL = 0.0780459225 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.45761726 Capacitance of right DL [F/m2] = 3.39768932 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08698183 Adsorption of ion 1 on right wall = -3.87492083 Adsorption of ion 2 on left wall = -3.86477595 Adsorption of ion 2 on right wall = 5.16841377 ------------------------------------------------------------------------ net charge in left DL = -8.95175778 14.6107373 net charge in right DL = 9.0433346 -14.6107373 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.348167359 Relative adsorption of ion 1 on right wall = -0.265210492 Relative adsorption of ion 2 on left wall = -0.264516147 Relative adsorption of ion 2 on right wall = 0.35374079 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 880------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0073940229 Right electrode charge = -0.0073940229 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 179 -1.00 3.0000 1.5000 Na ion: 179 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00784453298 Average electrode charge 2 = -0.00784453298 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339549 -0.510841 -0.509753 ________________________________________________________________________ Electrode charge exchange: 0.0780882764 Move Jump Cl: 0.93395 0.37020 Na: 0.93389 0.36955 ________________________________________________________________________ Create NaCl : 967719. / 2641522. = 0.36635 Destroy NaCl : 967740. / 2640027. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.12154195 Potential at right wall /kT = -1.14089586 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9928006 Potential at right wall /mV = -29.4931153 ________________________________________________________________________ Capacitance of left DL = 0.0459045697 Capacitance of right DL = 0.0451258548 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44913212 Capacitance of right DL [F/m2] = 3.39062181 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08924307 Adsorption of ion 1 on right wall = -3.86913723 Adsorption of ion 2 on left wall = -3.86770871 Adsorption of ion 2 on right wall = 5.17444356 ------------------------------------------------------------------------ net charge in left DL = -8.95695178 8.4654816 net charge in right DL = 9.04358079 -8.4654816 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.601175847 Relative adsorption of ion 1 on right wall = -0.457048684 Relative adsorption of ion 2 on left wall = -0.456879938 Relative adsorption of ion 2 on right wall = 0.611240306 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 885------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00761386475 Right electrode charge = -0.00761386475 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99954 Bulk concentration of Na = 0.99912 ________________________________________________________________________ Average electrode charge 1 = 0.00784634191 Average electrode charge 2 = -0.00784634191 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339293 -0.510841 -0.509498 ________________________________________________________________________ Electrode charge exchange: 0.0780733361 Move Jump Cl: 0.93397 0.37022 Na: 0.93391 0.36957 ________________________________________________________________________ Create NaCl : 973264. / 2656320. = 0.36640 Destroy NaCl : 973264. / 2655197. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.12410294 Potential at right wall /kT = -1.14317009 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0590044 Potential at right wall /mV = -29.5519062 ________________________________________________________________________ Capacitance of left DL = 0.0471617299 Capacitance of right DL = 0.0463751105 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44127413 Capacitance of right DL [F/m2] = 3.38387647 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09450778 Adsorption of ion 1 on right wall = -3.86492169 Adsorption of ion 2 on left wall = -3.86893547 Adsorption of ion 2 on right wall = 5.1790328 ------------------------------------------------------------------------ net charge in left DL = -8.96344325 8.71718046 net charge in right DL = 9.04395449 -8.71718046 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.584421512 Relative adsorption of ion 1 on right wall = -0.443368324 Relative adsorption of ion 2 on left wall = -0.443828768 Relative adsorption of ion 2 on right wall = 0.594117883 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 890------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00274229741 Right electrode charge = -0.00274229741 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99946 Bulk concentration of Na = 0.99903 ________________________________________________________________________ Average electrode charge 1 = 0.00785084136 Average electrode charge 2 = -0.00785084136 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339133 -0.510841 -0.509338 ________________________________________________________________________ Electrode charge exchange: 0.0780776695 Move Jump Cl: 0.93399 0.37023 Na: 0.93388 0.36958 ________________________________________________________________________ Create NaCl : 978732. / 2671120. = 0.36641 Destroy NaCl : 978733. / 2670394. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.12709332 Potential at right wall /kT = -1.14515155 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1363083 Potential at right wall /mV = -29.6031286 ________________________________________________________________________ Capacitance of left DL = 0.0169412452 Capacitance of right DL = 0.0166740938 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43214381 Capacitance of right DL [F/m2] = 3.37802133 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08838062 Adsorption of ion 1 on right wall = -3.86263512 Adsorption of ion 2 on left wall = -3.8799815 Adsorption of ion 2 on right wall = 5.18928367 ------------------------------------------------------------------------ net charge in left DL = -8.96836211 3.13968033 net charge in right DL = 9.05191879 -3.13968033 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.62066837 Relative adsorption of ion 1 on right wall = -1.23026382 Relative adsorption of ion 2 on left wall = -1.23578871 Relative adsorption of ion 2 on right wall = 1.65280638 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 895------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00703734958 Right electrode charge = -0.00703734958 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99945 Bulk concentration of Na = 0.99904 ________________________________________________________________________ Average electrode charge 1 = 0.00784891288 Average electrode charge 2 = -0.00784891288 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339122 -0.510841 -0.509326 ________________________________________________________________________ Electrode charge exchange: 0.0780772781 Move Jump Cl: 0.93397 0.37023 Na: 0.93388 0.36959 ________________________________________________________________________ Create NaCl : 984290. / 2686345. = 0.36640 Destroy NaCl : 984300. / 2685351. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.12895668 Potential at right wall /kT = -1.1464833 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1844775 Potential at right wall /mV = -29.6375554 ________________________________________________________________________ Capacitance of left DL = 0.0434032751 Capacitance of right DL = 0.0427397566 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42647902 Capacitance of right DL [F/m2] = 3.37409744 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08396135 Adsorption of ion 1 on right wall = -3.86134684 Adsorption of ion 2 on left wall = -3.88530523 Adsorption of ion 2 on right wall = 5.18762904 ------------------------------------------------------------------------ net charge in left DL = -8.96926658 8.05712319 net charge in right DL = 9.04897588 -8.05712319 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.630989651 Relative adsorption of ion 1 on right wall = -0.479246345 Relative adsorption of ion 2 on left wall = -0.482219911 Relative adsorption of ion 2 on right wall = 0.643856239 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 900------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00795183951 Right electrode charge = -0.00795183951 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99957 Bulk concentration of Na = 0.99915 ________________________________________________________________________ Average electrode charge 1 = 0.00784508783 Average electrode charge 2 = -0.00784508783 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339348 -0.510841 -0.509553 ________________________________________________________________________ Electrode charge exchange: 0.0780794762 Move Jump Cl: 0.93398 0.37024 Na: 0.93388 0.36955 ________________________________________________________________________ Create NaCl : 989829. / 2701491. = 0.36640 Destroy NaCl : 989820. / 2700351. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.12756521 Potential at right wall /kT = -1.14497531 ------------------------------------------------------------------------ Potential at left wall /mV = 29.148507 Potential at right wall /mV = -29.5985725 ________________________________________________________________________ Capacitance of left DL = 0.0491039683 Capacitance of right DL = 0.0483573105 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43070745 Capacitance of right DL [F/m2] = 3.37854131 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08503705 Adsorption of ion 1 on right wall = -3.86851563 Adsorption of ion 2 on left wall = -3.87821614 Adsorption of ion 2 on right wall = 5.17634395 ------------------------------------------------------------------------ net charge in left DL = -8.9632532 9.10413073 net charge in right DL = 9.04485958 -9.10413073 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.558541744 Relative adsorption of ion 1 on right wall = -0.424918726 Relative adsorption of ion 2 on left wall = -0.425984233 Relative adsorption of ion 2 on right wall = 0.568570916 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 905------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00659517208 Right electrode charge = -0.00659517208 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 179 -1.00 3.0000 1.5000 Na ion: 179 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99967 Bulk concentration of Na = 0.99928 ________________________________________________________________________ Average electrode charge 1 = 0.00784301131 Average electrode charge 2 = -0.00784301131 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339579 -0.510841 -0.509784 ________________________________________________________________________ Electrode charge exchange: 0.0780865039 Move Jump Cl: 0.93399 0.37020 Na: 0.93389 0.36954 ________________________________________________________________________ Create NaCl : 995381. / 2716547. = 0.36641 Destroy NaCl : 995402. / 2715410. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.12926228 Potential at right wall /kT = -1.14720238 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1923777 Potential at right wall /mV = -29.6561442 ________________________________________________________________________ Capacitance of left DL = 0.040665111 Capacitance of right DL = 0.0400291848 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42555174 Capacitance of right DL [F/m2] = 3.37198252 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07726717 Adsorption of ion 1 on right wall = -3.87638219 Adsorption of ion 2 on left wall = -3.88792952 Adsorption of ion 2 on right wall = 5.16426256 ------------------------------------------------------------------------ net charge in left DL = -8.96519669 7.5508703 net charge in right DL = 9.04064475 -7.5508703 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.672408208 Relative adsorption of ion 1 on right wall = -0.513368927 Relative adsorption of ion 2 on left wall = -0.514898199 Relative adsorption of ion 2 on right wall = 0.683929449 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 910------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0073219397 Right electrode charge = -0.0073219397 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99967 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00784268534 Average electrode charge 2 = -0.00784268534 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339535 -0.510841 -0.509740 ________________________________________________________________________ Electrode charge exchange: 0.0781035381 Move Jump Cl: 0.93398 0.37021 Na: 0.93386 0.36954 ________________________________________________________________________ Create NaCl : 1000874. / 2731468. = 0.36642 Destroy NaCl : 1000877. / 2730493. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.12692575 Potential at right wall /kT = -1.14564815 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1319764 Potential at right wall /mV = -29.6159661 ________________________________________________________________________ Capacitance of left DL = 0.0452398856 Capacitance of right DL = 0.0445005668 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43265417 Capacitance of right DL [F/m2] = 3.37655708 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07786707 Adsorption of ion 1 on right wall = -3.88118155 Adsorption of ion 2 on left wall = -3.8808655 Adsorption of ion 2 on right wall = 5.16298148 ------------------------------------------------------------------------ net charge in left DL = -8.95873257 8.38295292 net charge in right DL = 9.04416303 -8.38295292 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.605737277 Relative adsorption of ion 1 on right wall = -0.462985011 Relative adsorption of ion 2 on left wall = -0.46294731 Relative adsorption of ion 2 on right wall = 0.615890549 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 915------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00555487038 Right electrode charge = -0.00555487038 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99974 Bulk concentration of Na = 0.99929 ________________________________________________________________________ Average electrode charge 1 = 0.00784375303 Average electrode charge 2 = -0.00784375303 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339673 -0.510841 -0.509878 ________________________________________________________________________ Electrode charge exchange: 0.0781016352 Move Jump Cl: 0.93394 0.37023 Na: 0.93385 0.36952 ________________________________________________________________________ Create NaCl : 1006374. / 2746392. = 0.36643 Destroy NaCl : 1006363. / 2745454. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.12275865 Potential at right wall /kT = -1.14138865 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0242534 Potential at right wall /mV = -29.5058543 ________________________________________________________________________ Capacitance of left DL = 0.0344491231 Capacitance of right DL = 0.0338868371 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.4453944 Capacitance of right DL [F/m2] = 3.38915792 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07842045 Adsorption of ion 1 on right wall = -3.88161088 Adsorption of ion 2 on left wall = -3.87766231 Adsorption of ion 2 on right wall = 5.16251291 ------------------------------------------------------------------------ net charge in left DL = -8.95608276 6.35981977 net charge in right DL = 9.0441238 -6.35981977 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.798516409 Relative adsorption of ion 1 on right wall = -0.610333472 Relative adsorption of ion 2 on left wall = -0.609712611 Relative adsorption of ion 2 on right wall = 0.81173887 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 920------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00891811201 Right electrode charge = -0.00891811201 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99929 ________________________________________________________________________ Average electrode charge 1 = 0.00784705862 Average electrode charge 2 = -0.00784705862 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339652 -0.510841 -0.509856 ________________________________________________________________________ Electrode charge exchange: 0.0780920383 Move Jump Cl: 0.93394 0.37023 Na: 0.93385 0.36951 ________________________________________________________________________ Create NaCl : 1011936. / 2761412. = 0.36646 Destroy NaCl : 1011932. / 2760536. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.12429567 Potential at right wall /kT = -1.14191257 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0639866 Potential at right wall /mV = -29.5193982 ________________________________________________________________________ Capacitance of left DL = 0.0552310166 Capacitance of right DL = 0.054378938 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44068422 Capacitance of right DL [F/m2] = 3.38760293 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07410867 Adsorption of ion 1 on right wall = -3.87815981 Adsorption of ion 2 on left wall = -3.88725634 Adsorption of ion 2 on right wall = 5.16901811 ------------------------------------------------------------------------ net charge in left DL = -8.96136501 10.2104246 net charge in right DL = 9.04717792 -10.2104246 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.496953739 Relative adsorption of ion 1 on right wall = -0.379823559 Relative adsorption of ion 2 on left wall = -0.380714466 Relative adsorption of ion 2 on right wall = 0.506249086 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 925------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00776483107 Right electrode charge = -0.00776483107 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99969 Bulk concentration of Na = 0.99927 ________________________________________________________________________ Average electrode charge 1 = 0.00784893276 Average electrode charge 2 = -0.00784893276 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339595 -0.510841 -0.509800 ________________________________________________________________________ Electrode charge exchange: 0.0780673436 Move Jump Cl: 0.93395 0.37022 Na: 0.93384 0.36949 ________________________________________________________________________ Create NaCl : 1017403. / 2776387. = 0.36645 Destroy NaCl : 1017402. / 2775518. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.12515832 Potential at right wall /kT = -1.14321682 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0862868 Potential at right wall /mV = -29.5531141 ________________________________________________________________________ Capacitance of left DL = 0.04805173 Capacitance of right DL = 0.0472926947 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43804627 Capacitance of right DL [F/m2] = 3.38373817 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07779784 Adsorption of ion 1 on right wall = -3.87359459 Adsorption of ion 2 on left wall = -3.88898249 Adsorption of ion 2 on right wall = 5.17352543 ------------------------------------------------------------------------ net charge in left DL = -8.96678034 8.89002313 net charge in right DL = 9.04712002 -8.89002313 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.571179374 Relative adsorption of ion 1 on right wall = -0.435723792 Relative adsorption of ion 2 on left wall = -0.437454711 Relative adsorption of ion 2 on right wall = 0.581947354 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 930------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00654265201 Right electrode charge = -0.00654265201 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 174 -1.00 3.0000 1.5000 Na ion: 174 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99931 ________________________________________________________________________ Average electrode charge 1 = 0.00784497752 Average electrode charge 2 = -0.00784497752 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339631 -0.510841 -0.509836 ________________________________________________________________________ Electrode charge exchange: 0.0780602706 Move Jump Cl: 0.93392 0.37021 Na: 0.93381 0.36949 ________________________________________________________________________ Create NaCl : 1022855. / 2791260. = 0.36645 Destroy NaCl : 1022881. / 2790585. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.12502946 Potential at right wall /kT = -1.1420829 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0829557 Potential at right wall /mV = -29.5238014 ________________________________________________________________________ Capacitance of left DL = 0.0404930584 Capacitance of right DL = 0.0398884211 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43844007 Capacitance of right DL [F/m2] = 3.38709771 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.064016 Adsorption of ion 1 on right wall = -3.86738991 Adsorption of ion 2 on left wall = -3.90253896 Adsorption of ion 2 on right wall = 5.17061964 ------------------------------------------------------------------------ net charge in left DL = -8.96655496 7.49073962 net charge in right DL = 9.03800955 -7.49073962 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.676036849 Relative adsorption of ion 1 on right wall = -0.51628946 Relative adsorption of ion 2 on left wall = -0.520981793 Relative adsorption of ion 2 on right wall = 0.690268239 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 935------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00896277337 Right electrode charge = -0.00896277337 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99948 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00784704163 Average electrode charge 2 = -0.00784704163 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339254 -0.510841 -0.509458 ________________________________________________________________________ Electrode charge exchange: 0.0780657953 Move Jump Cl: 0.93391 0.37021 Na: 0.93382 0.36952 ________________________________________________________________________ Create NaCl : 1028319. / 2806008. = 0.36647 Destroy NaCl : 1028308. / 2805593. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.12304473 Potential at right wall /kT = -1.14010324 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0316488 Potential at right wall /mV = -29.4726256 ________________________________________________________________________ Capacitance of left DL = 0.0555694391 Capacitance of right DL = 0.0547379951 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44451673 Capacitance of right DL [F/m2] = 3.392979 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07898875 Adsorption of ion 1 on right wall = -3.85951891 Adsorption of ion 2 on left wall = -3.89098897 Adsorption of ion 2 on right wall = 5.1773743 ------------------------------------------------------------------------ net charge in left DL = -8.96997773 10.2615578 net charge in right DL = 9.03689322 -10.2615578 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.494952996 Relative adsorption of ion 1 on right wall = -0.376114329 Relative adsorption of ion 2 on left wall = -0.379181121 Relative adsorption of ion 2 on right wall = 0.504540775 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 940------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00894697095 Right electrode charge = -0.00894697095 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99963 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00785110048 Average electrode charge 2 = -0.00785110048 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339527 -0.510841 -0.509732 ________________________________________________________________________ Electrode charge exchange: 0.0780730253 Move Jump Cl: 0.93390 0.37019 Na: 0.93381 0.36951 ________________________________________________________________________ Create NaCl : 1033824. / 2821163. = 0.36645 Destroy NaCl : 1033817. / 2820595. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.12364783 Potential at right wall /kT = -1.14018735 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0472395 Potential at right wall /mV = -29.4747998 ________________________________________________________________________ Capacitance of left DL = 0.0554416901 Capacitance of right DL = 0.054637455 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44266794 Capacitance of right DL [F/m2] = 3.39272872 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.06912457 Adsorption of ion 1 on right wall = -3.86429324 Adsorption of ion 2 on left wall = -3.90236284 Adsorption of ion 2 on right wall = 5.18040782 ------------------------------------------------------------------------ net charge in left DL = -8.97148741 10.2434654 net charge in right DL = 9.04470106 -10.2434654 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.494864225 Relative adsorption of ion 1 on right wall = -0.37724472 Relative adsorption of ion 2 on left wall = -0.380961196 Relative adsorption of ion 2 on right wall = 0.505728052 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 945------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00900483059 Right electrode charge = -0.00900483059 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99975 Bulk concentration of Na = 0.99937 ________________________________________________________________________ Average electrode charge 1 = 0.00784978409 Average electrode charge 2 = -0.00784978409 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339752 -0.510841 -0.509957 ________________________________________________________________________ Electrode charge exchange: 0.0780667139 Move Jump Cl: 0.93391 0.37017 Na: 0.93378 0.36948 ________________________________________________________________________ Create NaCl : 1039310. / 2836166. = 0.36645 Destroy NaCl : 1039303. / 2835646. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.12463474 Potential at right wall /kT = -1.14016657 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0727518 Potential at right wall /mV = -29.4742627 ________________________________________________________________________ Capacitance of left DL = 0.0557512623 Capacitance of right DL = 0.0549917949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43964688 Capacitance of right DL [F/m2] = 3.39279055 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.05637957 Adsorption of ion 1 on right wall = -3.86507431 Adsorption of ion 2 on left wall = -3.91393335 Adsorption of ion 2 on right wall = 5.17832582 ------------------------------------------------------------------------ net charge in left DL = -8.97031292 10.3097094 net charge in right DL = 9.04340013 -10.3097094 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.49044831 Relative adsorption of ion 1 on right wall = -0.374896532 Relative adsorption of ion 2 on left wall = -0.37963566 Relative adsorption of ion 2 on right wall = 0.502276601 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 950------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00807605003 Right electrode charge = -0.00807605003 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 0.99925 ________________________________________________________________________ Average electrode charge 1 = 0.00785226479 Average electrode charge 2 = -0.00785226479 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339533 -0.510841 -0.509738 ________________________________________________________________________ Electrode charge exchange: 0.0780716384 Move Jump Cl: 0.93391 0.37020 Na: 0.93378 0.36950 ________________________________________________________________________ Create NaCl : 1044846. / 2851070. = 0.36648 Destroy NaCl : 1044856. / 2850759. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.12619979 Potential at right wall /kT = -1.14126308 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1132097 Potential at right wall /mV = -29.5026083 ________________________________________________________________________ Capacitance of left DL = 0.0499314537 Capacitance of right DL = 0.0492724193 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.43486688 Capacitance of right DL [F/m2] = 3.38953082 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.0555951 Adsorption of ion 1 on right wall = -3.86399183 Adsorption of ion 2 on left wall = -3.91579856 Adsorption of ion 2 on right wall = 5.18529644 ------------------------------------------------------------------------ net charge in left DL = -8.97139367 9.24634044 net charge in right DL = 9.04928826 -9.24634044 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.546767138 Relative adsorption of ion 1 on right wall = -0.417894177 Relative adsorption of ion 2 on left wall = -0.423497122 Relative adsorption of ion 2 on right wall = 0.560794454 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 955------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00738566701 Right electrode charge = -0.00738566701 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99954 Bulk concentration of Na = 0.99918 ________________________________________________________________________ Average electrode charge 1 = 0.00785311566 Average electrode charge 2 = -0.00785311566 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339356 -0.510841 -0.509561 ________________________________________________________________________ Electrode charge exchange: 0.0780726433 Move Jump Cl: 0.93386 0.37020 Na: 0.93377 0.36951 ________________________________________________________________________ Create NaCl : 1050285. / 2865953. = 0.36647 Destroy NaCl : 1050284. / 2865857. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.12559987 Potential at right wall /kT = -1.14068324 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0977013 Potential at right wall /mV = -29.4876189 ________________________________________________________________________ Capacitance of left DL = 0.0456873893 Capacitance of right DL = 0.0450832605 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.4366976 Capacitance of right DL [F/m2] = 3.39125381 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.05689446 Adsorption of ion 1 on right wall = -3.84598381 Adsorption of ion 2 on left wall = -3.91817785 Adsorption of ion 2 on right wall = 5.20073934 ------------------------------------------------------------------------ net charge in left DL = -8.97507231 8.45591488 net charge in right DL = 9.04672316 -8.45591488 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.598030436 Relative adsorption of ion 1 on right wall = -0.454827641 Relative adsorption of ion 2 on left wall = -0.463365337 Relative adsorption of ion 2 on right wall = 0.615041591 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 960------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00674689783 Right electrode charge = -0.00674689783 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99951 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00785362623 Average electrode charge 2 = -0.00785362623 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339313 -0.510841 -0.509518 ________________________________________________________________________ Electrode charge exchange: 0.0780876373 Move Jump Cl: 0.93385 0.37022 Na: 0.93377 0.36950 ________________________________________________________________________ Create NaCl : 1055786. / 2881005. = 0.36646 Destroy NaCl : 1055800. / 2880862. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.12168279 Potential at right wall /kT = -1.13686416 ------------------------------------------------------------------------ Potential at left wall /mV = 28.9964415 Potential at right wall /mV = -29.3888927 ________________________________________________________________________ Capacitance of left DL = 0.0418817412 Capacitance of right DL = 0.041322464 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44869904 Capacitance of right DL [F/m2] = 3.40264607 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.05729117 Adsorption of ion 1 on right wall = -3.83941455 Adsorption of ion 2 on left wall = -3.91755698 Adsorption of ion 2 on right wall = 5.20373538 ------------------------------------------------------------------------ net charge in left DL = -8.97484815 7.72458244 net charge in right DL = 9.04314994 -7.72458244 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.654700913 Relative adsorption of ion 1 on right wall = -0.497038459 Relative adsorption of ion 2 on left wall = -0.50715453 Relative adsorption of ion 2 on right wall = 0.673659117 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 965------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0078681162 Right electrode charge = -0.0078681162 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99947 Bulk concentration of Na = 0.99912 ________________________________________________________________________ Average electrode charge 1 = 0.00785029698 Average electrode charge 2 = -0.00785029698 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339233 -0.510841 -0.509437 ________________________________________________________________________ Electrode charge exchange: 0.0781029596 Move Jump Cl: 0.93384 0.37023 Na: 0.93379 0.36952 ________________________________________________________________________ Create NaCl : 1061268. / 2896020. = 0.36646 Destroy NaCl : 1061269. / 2895932. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.12393945 Potential at right wall /kT = -1.13954999 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0547779 Potential at right wall /mV = -29.4583236 ________________________________________________________________________ Capacitance of left DL = 0.0487437013 Capacitance of right DL = 0.0480759678 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44177472 Capacitance of right DL [F/m2] = 3.3946263 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.05810232 Adsorption of ion 1 on right wall = -3.83844354 Adsorption of ion 2 on left wall = -3.9148084 Adsorption of ion 2 on right wall = 5.20258374 ------------------------------------------------------------------------ net charge in left DL = -8.97291072 9.00827517 net charge in right DL = 9.04102728 -9.00827517 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.561495094 Relative adsorption of ion 1 on right wall = -0.426101941 Relative adsorption of ion 2 on left wall = -0.434579132 Relative adsorption of ion 2 on right wall = 0.577533838 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 970------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00812801157 Right electrode charge = -0.00812801157 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99941 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00784975749 Average electrode charge 2 = -0.00784975749 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339093 -0.510841 -0.509298 ________________________________________________________________________ Electrode charge exchange: 0.0781171736 Move Jump Cl: 0.93387 0.37022 Na: 0.93380 0.36953 ________________________________________________________________________ Create NaCl : 1066784. / 2911034. = 0.36646 Destroy NaCl : 1066806. / 2910854. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.1226477 Potential at right wall /kT = -1.13871229 ------------------------------------------------------------------------ Potential at left wall /mV = 29.0213851 Potential at right wall /mV = -29.4366683 ________________________________________________________________________ Capacitance of left DL = 0.0504117154 Capacitance of right DL = 0.0497005229 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.44573491 Capacitance of right DL [F/m2] = 3.39712358 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.06525884 Adsorption of ion 1 on right wall = -3.83629975 Adsorption of ion 2 on left wall = -3.90599158 Adsorption of ion 2 on right wall = 5.20390911 ------------------------------------------------------------------------ net charge in left DL = -8.97125042 9.30583166 net charge in right DL = 9.04020886 -9.30583166 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.544310173 Relative adsorption of ion 1 on right wall = -0.412246846 Relative adsorption of ion 2 on left wall = -0.419735895 Relative adsorption of ion 2 on right wall = 0.559209461 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 975------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00918793027 Right electrode charge = -0.00918793027 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99943 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00784797621 Average electrode charge 2 = -0.00784797621 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339165 -0.510841 -0.509370 ________________________________________________________________________ Electrode charge exchange: 0.0781177091 Move Jump Cl: 0.93387 0.37022 Na: 0.93382 0.36954 ________________________________________________________________________ Create NaCl : 1072409. / 2926144. = 0.36649 Destroy NaCl : 1072416. / 2925989. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.13029072 Potential at right wall /kT = -1.14671143 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2189636 Potential at right wall /mV = -29.6434528 ________________________________________________________________________ Capacitance of left DL = 0.0566002283 Capacitance of right DL = 0.0557897226 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42243488 Capacitance of right DL [F/m2] = 3.37342619 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.06325906 Adsorption of ion 1 on right wall = -3.84027487 Adsorption of ion 2 on left wall = -3.91323626 Adsorption of ion 2 on right wall = 5.20050741 ------------------------------------------------------------------------ net charge in left DL = -8.97649532 10.5193419 net charge in right DL = 9.04078229 -10.5193419 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.481328502 Relative adsorption of ion 1 on right wall = -0.365067979 Relative adsorption of ion 2 on left wall = -0.372003906 Relative adsorption of ion 2 on right wall = 0.494375739 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 980------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00807740484 Right electrode charge = -0.00807740484 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99960 Bulk concentration of Na = 0.99931 ________________________________________________________________________ Average electrode charge 1 = 0.00784461934 Average electrode charge 2 = -0.00784461934 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339546 -0.510841 -0.509750 ________________________________________________________________________ Electrode charge exchange: 0.0781339162 Move Jump Cl: 0.93385 0.37024 Na: 0.93381 0.36948 ________________________________________________________________________ Create NaCl : 1077893. / 2941253. = 0.36647 Destroy NaCl : 1077882. / 2940945. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.1294602 Potential at right wall /kT = -1.14523079 ------------------------------------------------------------------------ Potential at left wall /mV = 29.1974941 Potential at right wall /mV = -29.6051769 ________________________________________________________________________ Capacitance of left DL = 0.0497956688 Capacitance of right DL = 0.0491099496 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.42495146 Capacitance of right DL [F/m2] = 3.37778762 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.04234902 Adsorption of ion 1 on right wall = -3.83820939 Adsorption of ion 2 on left wall = -3.93409427 Adsorption of ion 2 on right wall = 5.19376041 ------------------------------------------------------------------------ net charge in left DL = -8.9764433 9.24789157 net charge in right DL = 9.0319698 -9.24789157 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.545243095 Relative adsorption of ion 1 on right wall = -0.415036159 Relative adsorption of ion 2 on left wall = -0.425404455 Relative adsorption of ion 2 on right wall = 0.561615625 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 985------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0071144133 Right electrode charge = -0.0071144133 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99966 Bulk concentration of Na = 0.99939 ________________________________________________________________________ Average electrode charge 1 = 0.00784804827 Average electrode charge 2 = -0.00784804827 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339684 -0.510841 -0.509888 ________________________________________________________________________ Electrode charge exchange: 0.0781353063 Move Jump Cl: 0.93384 0.37022 Na: 0.93385 0.36947 ________________________________________________________________________ Create NaCl : 1083382. / 2956224. = 0.36647 Destroy NaCl : 1083389. / 2955994. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.13287676 Potential at right wall /kT = -1.14891305 ------------------------------------------------------------------------ Potential at left wall /mV = 29.2858149 Potential at right wall /mV = -29.7003666 ________________________________________________________________________ Capacitance of left DL = 0.0437267377 Capacitance of right DL = 0.0431164087 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.41462242 Capacitance of right DL [F/m2] = 3.3669618 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.04888346 Adsorption of ion 1 on right wall = -3.84964768 Adsorption of ion 2 on left wall = -3.93511335 Adsorption of ion 2 on right wall = 5.18677176 ------------------------------------------------------------------------ net charge in left DL = -8.9839968 8.14535412 net charge in right DL = 9.03641944 -8.14535412 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.619848245 Relative adsorption of ion 1 on right wall = -0.472618823 Relative adsorption of ion 2 on left wall = -0.483111389 Relative adsorption of ion 2 on right wall = 0.636776706 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 990------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00761528656 Right electrode charge = -0.00761528656 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99958 Bulk concentration of Na = 0.99933 ________________________________________________________________________ Average electrode charge 1 = 0.0078520982 Average electrode charge 2 = -0.0078520982 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339545 -0.510841 -0.509749 ________________________________________________________________________ Electrode charge exchange: 0.0781318592 Move Jump Cl: 0.93385 0.37024 Na: 0.93387 0.36949 ________________________________________________________________________ Create NaCl : 1088853. / 2971150. = 0.36648 Destroy NaCl : 1088862. / 2971049. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.13768065 Potential at right wall /kT = -1.15307231 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4099995 Potential at right wall /mV = -29.8078869 ________________________________________________________________________ Capacitance of left DL = 0.0466075777 Capacitance of right DL = 0.0459854414 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.40020407 Capacitance of right DL [F/m2] = 3.35481681 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.05256467 Adsorption of ion 1 on right wall = -3.84110461 Adsorption of ion 2 on left wall = -3.9397762 Adsorption of ion 2 on right wall = 5.20130789 ------------------------------------------------------------------------ net charge in left DL = -8.99234087 8.7188083 net charge in right DL = 9.0424125 -8.7188083 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.57950175 Relative adsorption of ion 1 on right wall = -0.440553855 Relative adsorption of ion 2 on left wall = -0.451870951 Relative adsorption of ion 2 on right wall = 0.59656179 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 995------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0109791172 Right electrode charge = -0.0109791172 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99965 Bulk concentration of Na = 0.99934 ________________________________________________________________________ Average electrode charge 1 = 0.0078579056 Average electrode charge 2 = -0.0078579056 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339622 -0.510841 -0.509827 ________________________________________________________________________ Electrode charge exchange: 0.078136033 Move Jump Cl: 0.93389 0.37025 Na: 0.93384 0.36947 ________________________________________________________________________ Create NaCl : 1094299. / 2986123. = 0.36646 Destroy NaCl : 1094290. / 2986053. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.13845538 Potential at right wall /kT = -1.15350499 ------------------------------------------------------------------------ Potential at left wall /mV = 29.4300271 Potential at right wall /mV = -29.819072 ________________________________________________________________________ Capacitance of left DL = 0.0671493879 Capacitance of right DL = 0.0662732999 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.39789018 Capacitance of right DL [F/m2] = 3.35355842 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.05388184 Adsorption of ion 1 on right wall = -3.84633323 Adsorption of ion 2 on left wall = -3.94055555 Adsorption of ion 2 on right wall = 5.20747041 ------------------------------------------------------------------------ net charge in left DL = -8.99443739 12.5700875 net charge in right DL = 9.05380364 -12.5700875 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.402056219 Relative adsorption of ion 1 on right wall = -0.305990968 Relative adsorption of ion 2 on left wall = -0.313486725 Relative adsorption of ion 2 on right wall = 0.414274795 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1000------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00665230848 Right electrode charge = -0.00665230848 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99929 ________________________________________________________________________ Average electrode charge 1 = 0.00786017558 Average electrode charge 2 = -0.00786017558 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339547 -0.510841 -0.509752 ________________________________________________________________________ Electrode charge exchange: 0.0781389897 Move Jump Cl: 0.93388 0.37024 Na: 0.93385 0.36949 ________________________________________________________________________ Create NaCl : 1099727. / 3001045. = 0.36645 Destroy NaCl : 1099740. / 3001007. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.14223915 Potential at right wall /kT = -1.15669531 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5278406 Potential at right wall /mV = -29.9015444 ________________________________________________________________________ Capacitance of left DL = 0.040551413 Capacitance of right DL = 0.0400446091 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38663438 Capacitance of right DL [F/m2] = 3.34430886 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.0583267 Adsorption of ion 1 on right wall = -3.8462778 Adsorption of ion 2 on left wall = -3.93859347 Adsorption of ion 2 on right wall = 5.21441403 ------------------------------------------------------------------------ net charge in left DL = -8.99692017 7.61628627 net charge in right DL = 9.06069183 -7.61628627 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.664146085 Relative adsorption of ion 1 on right wall = -0.505006989 Relative adsorption of ion 2 on left wall = -0.517127814 Relative adsorption of ion 2 on right wall = 0.684639974 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1005------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00602288812 Right electrode charge = -0.00602288812 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99948 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.0078656658 Average electrode charge 2 = -0.0078656658 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339220 -0.510841 -0.509425 ________________________________________________________________________ Electrode charge exchange: 0.0781410851 Move Jump Cl: 0.93389 0.37021 Na: 0.93384 0.36953 ________________________________________________________________________ Create NaCl : 1105168. / 3015923. = 0.36644 Destroy NaCl : 1105181. / 3016131. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.1444233 Potential at right wall /kT = -1.15907994 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5843028 Potential at right wall /mV = -29.9631892 ________________________________________________________________________ Capacitance of left DL = 0.0366444963 Capacitance of right DL = 0.0361811244 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38017093 Capacitance of right DL [F/m2] = 3.33742845 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07538313 Adsorption of ion 1 on right wall = -3.84523412 Adsorption of ion 2 on left wall = -3.92491436 Adsorption of ion 2 on right wall = 5.22698 ------------------------------------------------------------------------ net charge in left DL = -9.00029748 6.89565739 net charge in right DL = 9.07221412 -6.89565739 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.736026001 Relative adsorption of ion 1 on right wall = -0.55763126 Relative adsorption of ion 2 on left wall = -0.569186393 Relative adsorption of ion 2 on right wall = 0.758010399 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1010------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00764686841 Right electrode charge = -0.00764686841 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99934 Bulk concentration of Na = 0.99897 ________________________________________________________________________ Average electrode charge 1 = 0.00787051071 Average electrode charge 2 = -0.00787051071 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338942 -0.510841 -0.509146 ________________________________________________________________________ Electrode charge exchange: 0.0781487161 Move Jump Cl: 0.93390 0.37023 Na: 0.93383 0.36954 ________________________________________________________________________ Create NaCl : 1110677. / 3030650. = 0.36648 Destroy NaCl : 1110687. / 3031174. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.1456588 Potential at right wall /kT = -1.16008674 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6162414 Potential at right wall /mV = -29.9892158 ________________________________________________________________________ Capacitance of left DL = 0.0464749546 Capacitance of right DL = 0.0458969478 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37652569 Capacitance of right DL [F/m2] = 3.334532 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08530404 Adsorption of ion 1 on right wall = -3.84259142 Adsorption of ion 2 on left wall = -3.92098035 Adsorption of ion 2 on right wall = 5.23554234 ------------------------------------------------------------------------ net charge in left DL = -9.00628439 8.75496665 net charge in right DL = 9.07813377 -8.75496665 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.580847905 Relative adsorption of ion 1 on right wall = -0.438904176 Relative adsorption of ion 2 on left wall = -0.447857828 Relative adsorption of ion 2 on right wall = 0.598008257 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1015------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0086125531 Right electrode charge = -0.0086125531 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99947 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00787330651 Average electrode charge 2 = -0.00787330651 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339204 -0.510841 -0.509408 ________________________________________________________________________ Electrode charge exchange: 0.0781424526 Move Jump Cl: 0.93389 0.37018 Na: 0.93382 0.36951 ________________________________________________________________________ Create NaCl : 1116083. / 3045720. = 0.36644 Destroy NaCl : 1116072. / 3046099. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.14302984 Potential at right wall /kT = -1.15805656 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5482807 Potential at right wall /mV = -29.936734 ________________________________________________________________________ Capacitance of left DL = 0.0524644344 Capacitance of right DL = 0.051783666 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38429166 Capacitance of right DL [F/m2] = 3.34037775 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08192054 Adsorption of ion 1 on right wall = -3.84843036 Adsorption of ion 2 on left wall = -3.925789 Adsorption of ion 2 on right wall = 5.23159688 ------------------------------------------------------------------------ net charge in left DL = -9.00770954 9.8605875 net charge in right DL = 9.08002724 -9.8605875 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.515377055 Relative adsorption of ion 1 on right wall = -0.390284084 Relative adsorption of ion 2 on left wall = -0.39812932 Relative adsorption of ion 2 on right wall = 0.530556306 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1020------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00981949158 Right electrode charge = -0.00981949158 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99952 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00787176666 Average electrode charge 2 = -0.00787176666 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339319 -0.510841 -0.509523 ________________________________________________________________________ Electrode charge exchange: 0.0781365755 Move Jump Cl: 0.93388 0.37016 Na: 0.93382 0.36952 ________________________________________________________________________ Create NaCl : 1121485. / 3060827. = 0.36640 Destroy NaCl : 1121484. / 3061101. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.14574704 Potential at right wall /kT = -1.16067546 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6185224 Potential at right wall /mV = -30.0044347 ________________________________________________________________________ Capacitance of left DL = 0.0596747917 Capacitance of right DL = 0.0589072639 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37626565 Capacitance of right DL [F/m2] = 3.33284066 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08283268 Adsorption of ion 1 on right wall = -3.84485106 Adsorption of ion 2 on left wall = -3.92601373 Adsorption of ion 2 on right wall = 5.23423357 ------------------------------------------------------------------------ net charge in left DL = -9.00884641 11.2424219 net charge in right DL = 9.07908463 -11.2424219 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.452111894 Relative adsorption of ion 1 on right wall = -0.341994908 Relative adsorption of ion 2 on left wall = -0.34921423 Relative adsorption of ion 2 on right wall = 0.465578823 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1025------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00623557726 Right electrode charge = -0.00623557726 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99961 Bulk concentration of Na = 0.99925 ________________________________________________________________________ Average electrode charge 1 = 0.00787128438 Average electrode charge 2 = -0.00787128438 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339490 -0.510841 -0.509694 ________________________________________________________________________ Electrode charge exchange: 0.0781347527 Move Jump Cl: 0.93387 0.37017 Na: 0.93384 0.36950 ________________________________________________________________________ Create NaCl : 1126922. / 3075760. = 0.36639 Destroy NaCl : 1126925. / 3076033. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.14782381 Potential at right wall /kT = -1.16207981 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6722086 Potential at right wall /mV = -30.0407382 ________________________________________________________________________ Capacitance of left DL = 0.0378261456 Capacitance of right DL = 0.0373621072 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37015695 Capacitance of right DL [F/m2] = 3.328813 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.0794542 Adsorption of ion 1 on right wall = -3.86215792 Adsorption of ion 2 on left wall = -3.92966503 Adsorption of ion 2 on right wall = 5.21772871 ------------------------------------------------------------------------ net charge in left DL = -9.00911923 7.13916703 net charge in right DL = 9.07988663 -7.13916703 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.711491155 Relative adsorption of ion 1 on right wall = -0.540981587 Relative adsorption of ion 2 on left wall = -0.550437468 Relative adsorption of ion 2 on right wall = 0.730859593 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1030------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00616565279 Right electrode charge = -0.00616565279 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99955 Bulk concentration of Na = 0.99919 ________________________________________________________________________ Average electrode charge 1 = 0.00786890796 Average electrode charge 2 = -0.00786890796 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339373 -0.510841 -0.509578 ________________________________________________________________________ Electrode charge exchange: 0.0781378071 Move Jump Cl: 0.93387 0.37015 Na: 0.93385 0.36950 ________________________________________________________________________ Create NaCl : 1132431. / 3090766. = 0.36639 Destroy NaCl : 1132441. / 3091185. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.14597017 Potential at right wall /kT = -1.16002781 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6242905 Potential at right wall /mV = -29.9876923 ________________________________________________________________________ Capacitance of left DL = 0.0374624698 Capacitance of right DL = 0.0370084859 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37560827 Capacitance of right DL [F/m2] = 3.33470142 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08207442 Adsorption of ion 1 on right wall = -3.86267874 Adsorption of ion 2 on left wall = -3.92348327 Adsorption of ion 2 on right wall = 5.21311584 ------------------------------------------------------------------------ net charge in left DL = -9.00555769 7.0591099 net charge in right DL = 9.07579457 -7.0591099 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.719931335 Relative adsorption of ion 1 on right wall = -0.547190622 Relative adsorption of ion 2 on left wall = -0.555804248 Relative adsorption of ion 2 on right wall = 0.738494783 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1035------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00769736096 Right electrode charge = -0.00769736096 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99927 ________________________________________________________________________ Average electrode charge 1 = 0.00786938504 Average electrode charge 2 = -0.00786938504 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339529 -0.510841 -0.509734 ________________________________________________________________________ Electrode charge exchange: 0.0781331175 Move Jump Cl: 0.93390 0.37016 Na: 0.93384 0.36949 ________________________________________________________________________ Create NaCl : 1137959. / 3105966. = 0.36638 Destroy NaCl : 1137975. / 3106102. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.14356749 Potential at right wall /kT = -1.15749626 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5621794 Potential at right wall /mV = -29.9222497 ________________________________________________________________________ Capacitance of left DL = 0.0468673829 Capacitance of right DL = 0.0463034029 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38270053 Capacitance of right DL [F/m2] = 3.3419947 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08881261 Adsorption of ion 1 on right wall = -3.86719818 Adsorption of ion 2 on left wall = -3.91627264 Adsorption of ion 2 on right wall = 5.20702543 ------------------------------------------------------------------------ net charge in left DL = -9.00508525 8.81277601 net charge in right DL = 9.07422361 -8.81277601 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.577435828 Relative adsorption of ion 1 on right wall = -0.438817256 Relative adsorption of ion 2 on left wall = -0.444385814 Relative adsorption of ion 2 on right wall = 0.590849628 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1040------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0109571104 Right electrode charge = -0.0109571104 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99936 ________________________________________________________________________ Average electrode charge 1 = 0.0078721582 Average electrode charge 2 = -0.0078721582 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339739 -0.510841 -0.509943 ________________________________________________________________________ Electrode charge exchange: 0.0781268116 Move Jump Cl: 0.93390 0.37016 Na: 0.93381 0.36947 ________________________________________________________________________ Create NaCl : 1143455. / 3121027. = 0.36637 Destroy NaCl : 1143462. / 3121065. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.1484985 Potential at right wall /kT = -1.16265274 ------------------------------------------------------------------------ Potential at left wall /mV = 29.68965 Potential at right wall /mV = -30.055549 ________________________________________________________________________ Capacitance of left DL = 0.0664287773 Capacitance of right DL = 0.0656200674 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36817712 Capacitance of right DL [F/m2] = 3.32717263 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08048065 Adsorption of ion 1 on right wall = -3.86832985 Adsorption of ion 2 on left wall = -3.92847774 Adsorption of ion 2 on right wall = 5.21461481 ------------------------------------------------------------------------ net charge in left DL = -9.00895839 12.5448917 net charge in right DL = 9.08294465 -12.5448917 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.404984018 Relative adsorption of ion 1 on right wall = -0.308358966 Relative adsorption of ion 2 on left wall = -0.313153579 Relative adsorption of ion 2 on right wall = 0.41567635 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1045------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00784321158 Right electrode charge = -0.00784321158 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99979 Bulk concentration of Na = 0.99941 ________________________________________________________________________ Average electrode charge 1 = 0.00787205313 Average electrode charge 2 = -0.00787205313 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339835 -0.510841 -0.510040 ________________________________________________________________________ Electrode charge exchange: 0.0781358896 Move Jump Cl: 0.93391 0.37017 Na: 0.93381 0.36947 ________________________________________________________________________ Create NaCl : 1149016. / 3136090. = 0.36638 Destroy NaCl : 1149007. / 3136095. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.14718894 Potential at right wall /kT = -1.16162585 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6557969 Potential at right wall /mV = -30.0290029 ________________________________________________________________________ Capacitance of left DL = 0.047604678 Capacitance of right DL = 0.0470130381 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37202202 Capacitance of right DL [F/m2] = 3.3301139 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08447355 Adsorption of ion 1 on right wall = -3.87506305 Adsorption of ion 2 on left wall = -3.92319025 Adsorption of ion 2 on right wall = 5.20744029 ------------------------------------------------------------------------ net charge in left DL = -9.0076638 8.97976166 net charge in right DL = 9.08250334 -8.97976166 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566214755 Relative adsorption of ion 1 on right wall = -0.431532951 Relative adsorption of ion 2 on left wall = -0.43689247 Relative adsorption of ion 2 on right wall = 0.579908519 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1050------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00912912718 Right electrode charge = -0.00912912718 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99972 Bulk concentration of Na = 0.99932 ________________________________________________________________________ Average electrode charge 1 = 0.00787043171 Average electrode charge 2 = -0.00787043171 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339676 -0.510841 -0.509881 ________________________________________________________________________ Electrode charge exchange: 0.0781557566 Move Jump Cl: 0.93392 0.37016 Na: 0.93380 0.36946 ________________________________________________________________________ Create NaCl : 1154579. / 3150882. = 0.36643 Destroy NaCl : 1154589. / 3151338. = 0.36638 ________________________________________________________________________ Potential at left wall /kT = 1.14930108 Potential at right wall /kT = -1.16389065 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7103975 Potential at right wall /mV = -30.0875501 ________________________________________________________________________ Capacitance of left DL = 0.0553077631 Capacitance of right DL = 0.0546144709 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36582504 Capacitance of right DL [F/m2] = 3.32363385 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07387036 Adsorption of ion 1 on right wall = -3.87244631 Adsorption of ion 2 on left wall = -3.93243768 Adsorption of ion 2 on right wall = 5.210632 ------------------------------------------------------------------------ net charge in left DL = -9.00630804 10.4520177 net charge in right DL = 9.08307831 -10.4520177 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.485444103 Relative adsorption of ion 1 on right wall = -0.370497489 Relative adsorption of ion 2 on left wall = -0.376237182 Relative adsorption of ion 2 on right wall = 0.498528815 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1055------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00542376886 Right electrode charge = -0.00542376886 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99967 Bulk concentration of Na = 0.99925 ________________________________________________________________________ Average electrode charge 1 = 0.00786986802 Average electrode charge 2 = -0.00786986802 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339554 -0.510841 -0.509759 ________________________________________________________________________ Electrode charge exchange: 0.0781435658 Move Jump Cl: 0.93392 0.37016 Na: 0.93381 0.36945 ________________________________________________________________________ Create NaCl : 1160127. / 3165950. = 0.36644 Destroy NaCl : 1160115. / 3166379. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.14872134 Potential at right wall /kT = -1.16318462 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6954108 Potential at right wall /mV = -30.0692985 ________________________________________________________________________ Capacitance of left DL = 0.032875861 Capacitance of right DL = 0.0324670759 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36752372 Capacitance of right DL [F/m2] = 3.32565125 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08065006 Adsorption of ion 1 on right wall = -3.87007396 Adsorption of ion 2 on left wall = -3.92273307 Adsorption of ion 2 on right wall = 5.21372522 ------------------------------------------------------------------------ net charge in left DL = -9.00338313 6.20972049 net charge in right DL = 9.08379918 -6.20972049 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.818176931 Relative adsorption of ion 1 on right wall = -0.623228366 Relative adsorption of ion 2 on left wall = -0.631708477 Relative adsorption of ion 2 on right wall = 0.839607069 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1060------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100453946 Right electrode charge = -0.0100453946 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 215 -1.00 3.0000 1.5000 Na ion: 215 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99959 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00787138879 Average electrode charge 2 = -0.00787138879 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339380 -0.510841 -0.509585 ________________________________________________________________________ Electrode charge exchange: 0.0781483118 Move Jump Cl: 0.93392 0.37018 Na: 0.93381 0.36945 ________________________________________________________________________ Create NaCl : 1165649. / 3181097. = 0.36643 Destroy NaCl : 1165634. / 3181326. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.15071711 Potential at right wall /kT = -1.1645977 ------------------------------------------------------------------------ Potential at left wall /mV = 29.747003 Potential at right wall /mV = -30.1058279 ________________________________________________________________________ Capacitance of left DL = 0.0607839733 Capacitance of right DL = 0.0600595021 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3616832 Capacitance of right DL [F/m2] = 3.32161601 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08340085 Adsorption of ion 1 on right wall = -3.86017785 Adsorption of ion 2 on left wall = -3.92071124 Adsorption of ion 2 on right wall = 5.2284621 ------------------------------------------------------------------------ net charge in left DL = -9.00411209 11.5010603 net charge in right DL = 9.08863995 -11.5010603 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.441994103 Relative adsorption of ion 1 on right wall = -0.335636692 Relative adsorption of ion 2 on left wall = -0.34089998 Relative adsorption of ion 2 on right wall = 0.454606962 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1065------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00678349541 Right electrode charge = -0.00678349541 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99959 Bulk concentration of Na = 0.99917 ________________________________________________________________________ Average electrode charge 1 = 0.00787117515 Average electrode charge 2 = -0.00787117515 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339392 -0.510841 -0.509596 ________________________________________________________________________ Electrode charge exchange: 0.0781451491 Move Jump Cl: 0.93389 0.37017 Na: 0.93381 0.36948 ________________________________________________________________________ Create NaCl : 1171105. / 3195862. = 0.36644 Destroy NaCl : 1171111. / 3196352. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.14422983 Potential at right wall /kT = -1.15862623 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5793013 Potential at right wall /mV = -29.9514604 ________________________________________________________________________ Capacitance of left DL = 0.0412791669 Capacitance of right DL = 0.0407662564 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38074247 Capacitance of right DL [F/m2] = 3.33873536 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08564984 Adsorption of ion 1 on right wall = -3.86250094 Adsorption of ion 2 on left wall = -3.91544851 Adsorption of ion 2 on right wall = 5.22067098 ------------------------------------------------------------------------ net charge in left DL = -9.00109835 7.76648333 net charge in right DL = 9.08317191 -7.76648333 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.654820158 Relative adsorption of ion 1 on right wall = -0.497329457 Relative adsorption of ion 2 on left wall = -0.504146902 Relative adsorption of ion 2 on right wall = 0.672205264 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1070------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0114006506 Right electrode charge = -0.0114006506 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99956 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00787200447 Average electrode charge 2 = -0.00787200447 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339334 -0.510841 -0.509539 ________________________________________________________________________ Electrode charge exchange: 0.0781290316 Move Jump Cl: 0.93389 0.37015 Na: 0.93384 0.36947 ________________________________________________________________________ Create NaCl : 1176588. / 3210736. = 0.36645 Destroy NaCl : 1176586. / 3211463. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.14629868 Potential at right wall /kT = -1.16017801 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6327829 Potential at right wall /mV = -29.9915751 ________________________________________________________________________ Capacitance of left DL = 0.0692504333 Capacitance of right DL = 0.0684219834 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37464086 Capacitance of right DL [F/m2] = 3.33426969 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08375021 Adsorption of ion 1 on right wall = -3.8651804 Adsorption of ion 2 on left wall = -3.92004397 Adsorption of ion 2 on right wall = 5.21936763 ------------------------------------------------------------------------ net charge in left DL = -9.00379418 13.0527048 net charge in right DL = 9.08454803 -13.0527048 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.38947868 Relative adsorption of ion 1 on right wall = -0.296121032 Relative adsorption of ion 2 on left wall = -0.300324266 Relative adsorption of ion 2 on right wall = 0.399868666 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1075------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00972711361 Right electrode charge = -0.00972711361 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99970 Bulk concentration of Na = 0.99933 ________________________________________________________________________ Average electrode charge 1 = 0.00787065851 Average electrode charge 2 = -0.00787065851 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339671 -0.510841 -0.509875 ________________________________________________________________________ Electrode charge exchange: 0.078136375 Move Jump Cl: 0.93388 0.37012 Na: 0.93383 0.36944 ________________________________________________________________________ Create NaCl : 1182049. / 3225772. = 0.36644 Destroy NaCl : 1182061. / 3226230. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.15134371 Potential at right wall /kT = -1.16512813 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7632011 Potential at right wall /mV = -30.11954 ________________________________________________________________________ Capacitance of left DL = 0.0588260448 Capacitance of right DL = 0.0581300842 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35985366 Capacitance of right DL [F/m2] = 3.32010382 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08166592 Adsorption of ion 1 on right wall = -3.8831564 Adsorption of ion 2 on left wall = -3.92788772 Adsorption of ion 2 on right wall = 5.19896515 ------------------------------------------------------------------------ net charge in left DL = -9.00955364 11.1366576 net charge in right DL = 9.08212155 -11.1366576 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.456300814 Relative adsorption of ion 1 on right wall = -0.348682391 Relative adsorption of ion 2 on left wall = -0.352698975 Relative adsorption of ion 2 on right wall = 0.466833528 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1080------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.011390647 Right electrode charge = -0.011390647 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 181 -1.00 3.0000 1.5000 Na ion: 181 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99980 Bulk concentration of Na = 0.99942 ________________________________________________________________________ Average electrode charge 1 = 0.00786948671 Average electrode charge 2 = -0.00786948671 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339861 -0.510841 -0.510066 ________________________________________________________________________ Electrode charge exchange: 0.0781302567 Move Jump Cl: 0.93387 0.37010 Na: 0.93381 0.36943 ________________________________________________________________________ Create NaCl : 1187581. / 3240832. = 0.36644 Destroy NaCl : 1187600. / 3241244. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.14676542 Potential at right wall /kT = -1.16118751 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6448485 Potential at right wall /mV = -30.0176715 ________________________________________________________________________ Capacitance of left DL = 0.0691615084 Capacitance of right DL = 0.0683025142 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37326737 Capacitance of right DL [F/m2] = 3.33137098 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08016347 Adsorption of ion 1 on right wall = -3.88672634 Adsorption of ion 2 on left wall = -3.92494253 Adsorption of ion 2 on right wall = 5.19200763 ------------------------------------------------------------------------ net charge in left DL = -9.005106 13.0412515 net charge in right DL = 9.07873397 -13.0412515 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.389545701 Relative adsorption of ion 1 on right wall = -0.298033232 Relative adsorption of ion 2 on left wall = -0.30096364 Relative adsorption of ion 2 on right wall = 0.398121884 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1085------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00743252036 Right electrode charge = -0.00743252036 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 174 -1.00 3.0000 1.5000 Na ion: 174 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99982 Bulk concentration of Na = 0.99943 ________________________________________________________________________ Average electrode charge 1 = 0.007870228 Average electrode charge 2 = -0.007870228 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339876 -0.510841 -0.510081 ________________________________________________________________________ Electrode charge exchange: 0.0781375437 Move Jump Cl: 0.93389 0.37010 Na: 0.93382 0.36942 ________________________________________________________________________ Create NaCl : 1193043. / 3255843. = 0.36643 Destroy NaCl : 1193069. / 3256307. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.15179725 Potential at right wall /kT = -1.16589099 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7749255 Potential at right wall /mV = -30.1392606 ________________________________________________________________________ Capacitance of left DL = 0.04493148 Capacitance of right DL = 0.0443883307 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35853066 Capacitance of right DL [F/m2] = 3.31793143 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08109252 Adsorption of ion 1 on right wall = -3.89805149 Adsorption of ion 2 on left wall = -3.92679172 Adsorption of ion 2 on right wall = 5.18572786 ------------------------------------------------------------------------ net charge in left DL = -9.00788424 8.50955769 net charge in right DL = 9.08377935 -8.50955769 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.597104186 Relative adsorption of ion 1 on right wall = -0.458079214 Relative adsorption of ion 2 on left wall = -0.461456619 Relative adsorption of ion 2 on right wall = 0.609400401 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1090------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00854963967 Right electrode charge = -0.00854963967 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99970 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00786954288 Average electrode charge 2 = -0.00786954288 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339598 -0.510841 -0.509803 ________________________________________________________________________ Electrode charge exchange: 0.0781234293 Move Jump Cl: 0.93388 0.37012 Na: 0.93383 0.36943 ________________________________________________________________________ Create NaCl : 1198631. / 3270871. = 0.36646 Destroy NaCl : 1198644. / 3271385. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.14988645 Potential at right wall /kT = -1.16385686 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7255298 Potential at right wall /mV = -30.0866766 ________________________________________________________________________ Capacitance of left DL = 0.0517706367 Capacitance of right DL = 0.0511492056 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36411161 Capacitance of right DL [F/m2] = 3.32373035 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08042969 Adsorption of ion 1 on right wall = -3.8932093 Adsorption of ion 2 on left wall = -3.91990421 Adsorption of ion 2 on right wall = 5.19416368 ------------------------------------------------------------------------ net charge in left DL = -9.0003339 9.78855737 net charge in right DL = 9.08737298 -9.78855737 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519017206 Relative adsorption of ion 1 on right wall = -0.397730651 Relative adsorption of ion 2 on left wall = -0.400457806 Relative adsorption of ion 2 on right wall = 0.530636281 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1095------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00792773056 Right electrode charge = -0.00792773056 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99971 Bulk concentration of Na = 0.99927 ________________________________________________________________________ Average electrode charge 1 = 0.00787074607 Average electrode charge 2 = -0.00787074607 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339619 -0.510841 -0.509823 ________________________________________________________________________ Electrode charge exchange: 0.0781214891 Move Jump Cl: 0.93388 0.37012 Na: 0.93382 0.36943 ________________________________________________________________________ Create NaCl : 1204150. / 3285792. = 0.36647 Destroy NaCl : 1204154. / 3286371. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.15138396 Potential at right wall /kT = -1.16494663 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7642416 Potential at right wall /mV = -30.1148479 ________________________________________________________________________ Capacitance of left DL = 0.0479423545 Capacitance of right DL = 0.0473841949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3597362 Capacitance of right DL [F/m2] = 3.32062112 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07290398 Adsorption of ion 1 on right wall = -3.88510248 Adsorption of ion 2 on left wall = -3.92971011 Adsorption of ion 2 on right wall = 5.20432573 ------------------------------------------------------------------------ net charge in left DL = -9.0026141 9.07652817 net charge in right DL = 9.08942822 -9.07652817 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.558903568 Relative adsorption of ion 1 on right wall = -0.428038388 Relative adsorption of ion 2 on left wall = -0.432953001 Relative adsorption of ion 2 on right wall = 0.573382865 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0107128858 Right electrode charge = -0.0107128858 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99975 Bulk concentration of Na = 0.99932 ________________________________________________________________________ Average electrode charge 1 = 0.00787280004 Average electrode charge 2 = -0.00787280004 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339704 -0.510841 -0.509909 ________________________________________________________________________ Electrode charge exchange: 0.0781130972 Move Jump Cl: 0.93387 0.37012 Na: 0.93382 0.36944 ________________________________________________________________________ Create NaCl : 1209744. / 3300938. = 0.36648 Destroy NaCl : 1209748. / 3301343. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.15023799 Potential at right wall /kT = -1.16391325 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7346174 Potential at right wall /mV = -30.0881342 ________________________________________________________________________ Capacitance of left DL = 0.0648499161 Capacitance of right DL = 0.0640879701 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36308346 Capacitance of right DL [F/m2] = 3.32356933 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.06246392 Adsorption of ion 1 on right wall = -3.88839237 Adsorption of ion 2 on left wall = -3.94364093 Adsorption of ion 2 on right wall = 5.20069611 ------------------------------------------------------------------------ net charge in left DL = -9.00610485 12.2652768 net charge in right DL = 9.08908848 -12.2652768 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.412747629 Relative adsorption of ion 1 on right wall = -0.317024429 Relative adsorption of ion 2 on left wall = -0.321528898 Relative adsorption of ion 2 on right wall = 0.424017835 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00791606609 Right electrode charge = -0.00791606609 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99932 ________________________________________________________________________ Average electrode charge 1 = 0.00787293658 Average electrode charge 2 = -0.00787293658 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339693 -0.510841 -0.509898 ________________________________________________________________________ Electrode charge exchange: 0.0781041339 Move Jump Cl: 0.93386 0.37012 Na: 0.93383 0.36944 ________________________________________________________________________ Create NaCl : 1215206. / 3315943. = 0.36647 Destroy NaCl : 1215199. / 3316369. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.15181504 Potential at right wall /kT = -1.1648963 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7753853 Potential at right wall /mV = -30.1135469 ________________________________________________________________________ Capacitance of left DL = 0.0478538981 Capacitance of right DL = 0.0473165204 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35847879 Capacitance of right DL [F/m2] = 3.32076459 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07546809 Adsorption of ion 1 on right wall = -3.89025454 Adsorption of ion 2 on left wall = -3.93175365 Adsorption of ion 2 on right wall = 5.19959793 ------------------------------------------------------------------------ net charge in left DL = -9.00722174 9.06317343 net charge in right DL = 9.08985247 -9.06317343 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.560010037 Relative adsorption of ion 1 on right wall = -0.42923757 Relative adsorption of ion 2 on left wall = -0.433816442 Relative adsorption of ion 2 on right wall = 0.573706106 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00588798482 Right electrode charge = -0.00588798482 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99963 Bulk concentration of Na = 0.99921 ________________________________________________________________________ Average electrode charge 1 = 0.00787115783 Average electrode charge 2 = -0.00787115783 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339480 -0.510841 -0.509685 ________________________________________________________________________ Electrode charge exchange: 0.0781011802 Move Jump Cl: 0.93385 0.37014 Na: 0.93383 0.36949 ________________________________________________________________________ Create NaCl : 1220762. / 3331050. = 0.36648 Destroy NaCl : 1220753. / 3331238. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.15302704 Potential at right wall /kT = -1.16656488 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8067167 Potential at right wall /mV = -30.156681 ________________________________________________________________________ Capacitance of left DL = 0.0355564047 Capacitance of right DL = 0.0351437773 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35494852 Capacitance of right DL [F/m2] = 3.31601478 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07292834 Adsorption of ion 1 on right wall = -3.88385815 Adsorption of ion 2 on left wall = -3.93320751 Adsorption of ion 2 on right wall = 5.20502973 ------------------------------------------------------------------------ net charge in left DL = -9.00613584 6.74120541 net charge in right DL = 9.08888788 -6.74120541 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.752525406 Relative adsorption of ion 1 on right wall = -0.576137043 Relative adsorption of ion 2 on left wall = -0.583457597 Relative adsorption of ion 2 on right wall = 0.772121514 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00499097351 Right electrode charge = -0.00499097351 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99970 Bulk concentration of Na = 0.99928 ________________________________________________________________________ Average electrode charge 1 = 0.00787166653 Average electrode charge 2 = -0.00787166653 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339611 -0.510841 -0.509816 ________________________________________________________________________ Electrode charge exchange: 0.0781151747 Move Jump Cl: 0.93384 0.37012 Na: 0.93383 0.36949 ________________________________________________________________________ Create NaCl : 1226167. / 3346097. = 0.36645 Destroy NaCl : 1226175. / 3346225. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.15199469 Potential at right wall /kT = -1.16572891 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7800294 Potential at right wall /mV = -30.1350705 ________________________________________________________________________ Capacitance of left DL = 0.0301665358 Capacitance of right DL = 0.029811124 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35795504 Capacitance of right DL [F/m2] = 3.31839277 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07141739 Adsorption of ion 1 on right wall = -3.8827125 Adsorption of ion 2 on left wall = -3.93514984 Adsorption of ion 2 on right wall = 5.20571981 ------------------------------------------------------------------------ net charge in left DL = -9.00656724 5.7142093 net charge in right DL = 9.08843232 -5.7142093 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.887509913 Relative adsorption of ion 1 on right wall = -0.679483775 Relative adsorption of ion 2 on left wall = -0.688660432 Relative adsorption of ion 2 on right wall = 0.911013151 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00961742298 Right electrode charge = -0.00961742298 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99972 Bulk concentration of Na = 0.99930 ________________________________________________________________________ Average electrode charge 1 = 0.00787243434 Average electrode charge 2 = -0.00787243434 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339651 -0.510841 -0.509856 ________________________________________________________________________ Electrode charge exchange: 0.0781172886 Move Jump Cl: 0.93384 0.37010 Na: 0.93383 0.36951 ________________________________________________________________________ Create NaCl : 1231676. / 3361013. = 0.36646 Destroy NaCl : 1231689. / 3361296. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.14977094 Potential at right wall /kT = -1.16369342 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7225436 Potential at right wall /mV = -30.0824514 ________________________________________________________________________ Capacitance of left DL = 0.0582422365 Capacitance of right DL = 0.0575454237 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36444961 Capacitance of right DL [F/m2] = 3.32419718 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.0685904 Adsorption of ion 1 on right wall = -3.88380105 Adsorption of ion 2 on left wall = -3.93739106 Adsorption of ion 2 on right wall = 5.20420083 ------------------------------------------------------------------------ net charge in left DL = -9.00598146 11.0110718 net charge in right DL = 9.08800188 -11.0110718 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.460317622 Relative adsorption of ion 1 on right wall = -0.352717801 Relative adsorption of ion 2 on left wall = -0.357584722 Relative adsorption of ion 2 on right wall = 0.472633446 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00936366527 Right electrode charge = -0.00936366527 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99924 ________________________________________________________________________ Average electrode charge 1 = 0.00787506693 Average electrode charge 2 = -0.00787506693 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339513 -0.510841 -0.509718 ________________________________________________________________________ Electrode charge exchange: 0.0781283823 Move Jump Cl: 0.93386 0.37009 Na: 0.93382 0.36951 ________________________________________________________________________ Create NaCl : 1237084. / 3376068. = 0.36643 Destroy NaCl : 1237086. / 3376265. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.14737037 Potential at right wall /kT = -1.16143732 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6604871 Potential at right wall /mV = -30.0241293 ________________________________________________________________________ Capacitance of left DL = 0.0568241438 Capacitance of right DL = 0.0561359088 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3714888 Capacitance of right DL [F/m2] = 3.33065446 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07613866 Adsorption of ion 1 on right wall = -3.88371919 Adsorption of ion 2 on left wall = -3.93290953 Adsorption of ion 2 on right wall = 5.2037575 ------------------------------------------------------------------------ net charge in left DL = -9.00904819 10.7205424 net charge in right DL = 9.0874767 -10.7205424 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.473496439 Relative adsorption of ion 1 on right wall = -0.362268908 Relative adsorption of ion 2 on left wall = -0.366857327 Relative adsorption of ion 2 on right wall = 0.48540058 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00511278045 Right electrode charge = -0.00511278045 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99932 ________________________________________________________________________ Average electrode charge 1 = 0.0078739847 Average electrode charge 2 = -0.0078739847 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339689 -0.510841 -0.509894 ________________________________________________________________________ Electrode charge exchange: 0.0781257894 Move Jump Cl: 0.93385 0.37007 Na: 0.93384 0.36949 ________________________________________________________________________ Create NaCl : 1242556. / 3391144. = 0.36641 Destroy NaCl : 1242560. / 3391190. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.14945201 Potential at right wall /kT = -1.16254827 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7142991 Potential at right wall /mV = -30.0528483 ________________________________________________________________________ Capacitance of left DL = 0.030971123 Capacitance of right DL = 0.0306222293 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3653831 Capacitance of right DL [F/m2] = 3.32747163 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08101077 Adsorption of ion 1 on right wall = -3.88645531 Adsorption of ion 2 on left wall = -3.92587237 Adsorption of ion 2 on right wall = 5.20272468 ------------------------------------------------------------------------ net charge in left DL = -9.00688315 5.85366713 net charge in right DL = 9.08917998 -5.85366713 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.868004732 Relative adsorption of ion 1 on right wall = -0.66393514 Relative adsorption of ion 2 on left wall = -0.670668879 Relative adsorption of ion 2 on right wall = 0.888797493 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00923306841 Right electrode charge = -0.00923306841 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99969 Bulk concentration of Na = 0.99928 ________________________________________________________________________ Average electrode charge 1 = 0.00787738152 Average electrode charge 2 = -0.00787738152 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339608 -0.510841 -0.509812 ________________________________________________________________________ Electrode charge exchange: 0.0781249865 Move Jump Cl: 0.93387 0.37007 Na: 0.93384 0.36949 ________________________________________________________________________ Create NaCl : 1248138. / 3406322. = 0.36642 Destroy NaCl : 1248150. / 3406226. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.14838484 Potential at right wall /kT = -1.16172794 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6867118 Potential at right wall /mV = -30.031642 ________________________________________________________________________ Capacitance of left DL = 0.055982109 Capacitance of right DL = 0.0553391232 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36851048 Capacitance of right DL [F/m2] = 3.32982126 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08713001 Adsorption of ion 1 on right wall = -3.88365941 Adsorption of ion 2 on left wall = -3.92346294 Adsorption of ion 2 on right wall = 5.20789184 ------------------------------------------------------------------------ net charge in left DL = -9.01059295 10.5710209 net charge in right DL = 9.09155125 -10.5710209 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.481233558 Relative adsorption of ion 1 on right wall = -0.367387355 Relative adsorption of ion 2 on left wall = -0.371152698 Relative adsorption of ion 2 on right wall = 0.492657414 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0083831393 Right electrode charge = -0.0083831393 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99960 Bulk concentration of Na = 0.99921 ________________________________________________________________________ Average electrode charge 1 = 0.00787619253 Average electrode charge 2 = -0.00787619253 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339451 -0.510841 -0.509655 ________________________________________________________________________ Electrode charge exchange: 0.0781227379 Move Jump Cl: 0.93387 0.37007 Na: 0.93384 0.36952 ________________________________________________________________________ Create NaCl : 1253700. / 3421277. = 0.36644 Destroy NaCl : 1253707. / 3421187. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.14710582 Potential at right wall /kT = -1.16021472 ------------------------------------------------------------------------ Potential at left wall /mV = 29.653648 Potential at right wall /mV = -29.9925242 ________________________________________________________________________ Capacitance of left DL = 0.0508854775 Capacitance of right DL = 0.0503105382 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37226638 Capacitance of right DL [F/m2] = 3.33416418 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09091503 Adsorption of ion 1 on right wall = -3.88113585 Adsorption of ion 2 on left wall = -3.91986642 Adsorption of ion 2 on right wall = 5.2059039 ------------------------------------------------------------------------ net charge in left DL = -9.01078145 9.59792964 net charge in right DL = 9.08703975 -9.59792964 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.53041804 Relative adsorption of ion 1 on right wall = -0.404372192 Relative adsorption of ion 2 on left wall = -0.408407497 Relative adsorption of ion 2 on right wall = 0.542398632 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00802096344 Right electrode charge = -0.00802096344 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99967 Bulk concentration of Na = 0.99929 ________________________________________________________________________ Average electrode charge 1 = 0.00787789314 Average electrode charge 2 = -0.00787789314 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339589 -0.510841 -0.509794 ________________________________________________________________________ Electrode charge exchange: 0.0781304434 Move Jump Cl: 0.93387 0.37007 Na: 0.93385 0.36953 ________________________________________________________________________ Create NaCl : 1259173. / 3436241. = 0.36644 Destroy NaCl : 1259185. / 3436153. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.14758695 Potential at right wall /kT = -1.16089486 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6660858 Potential at right wall /mV = -30.0101065 ________________________________________________________________________ Capacitance of left DL = 0.0486666651 Capacitance of right DL = 0.0481087751 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37085252 Capacitance of right DL [F/m2] = 3.33221077 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.0944663 Adsorption of ion 1 on right wall = -3.88394404 Adsorption of ion 2 on left wall = -3.91937362 Adsorption of ion 2 on right wall = 5.20435462 ------------------------------------------------------------------------ net charge in left DL = -9.01383992 9.18327132 net charge in right DL = 9.08829865 -9.18327132 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.554755067 Relative adsorption of ion 1 on right wall = -0.422936871 Relative adsorption of ion 2 on left wall = -0.426794928 Relative adsorption of ion 2 on right wall = 0.566721208 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00677648186 Right electrode charge = -0.00677648186 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99961 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.0078781175 Average electrode charge 2 = -0.0078781175 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339476 -0.510841 -0.509681 ________________________________________________________________________ Electrode charge exchange: 0.0781321724 Move Jump Cl: 0.93389 0.37007 Na: 0.93385 0.36956 ________________________________________________________________________ Create NaCl : 1264670. / 3451102. = 0.36645 Destroy NaCl : 1264676. / 3451170. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.14505556 Potential at right wall /kT = -1.15825532 ------------------------------------------------------------------------ Potential at left wall /mV = 29.600647 Potential at right wall /mV = -29.941872 ________________________________________________________________________ Capacitance of left DL = 0.0412067511 Capacitance of right DL = 0.0407371488 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37830453 Capacitance of right DL [F/m2] = 3.33980454 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09517696 Adsorption of ion 1 on right wall = -3.87901456 Adsorption of ion 2 on left wall = -3.91717575 Adsorption of ion 2 on right wall = 5.20808258 ------------------------------------------------------------------------ net charge in left DL = -9.01235272 7.75845345 net charge in right DL = 9.08709714 -7.75845345 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.656725853 Relative adsorption of ion 1 on right wall = -0.499972653 Relative adsorption of ion 2 on left wall = -0.504891313 Relative adsorption of ion 2 on right wall = 0.671278446 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00878295294 Right electrode charge = -0.00878295294 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99927 ________________________________________________________________________ Average electrode charge 1 = 0.00787761382 Average electrode charge 2 = -0.00787761382 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339540 -0.510841 -0.509744 ________________________________________________________________________ Electrode charge exchange: 0.0781239476 Move Jump Cl: 0.93388 0.37006 Na: 0.93383 0.36956 ________________________________________________________________________ Create NaCl : 1270093. / 3466124. = 0.36643 Destroy NaCl : 1270101. / 3466033. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.14481931 Potential at right wall /kT = -1.15803753 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5945399 Potential at right wall /mV = -29.9362421 ________________________________________________________________________ Capacitance of left DL = 0.0534188165 Capacitance of right DL = 0.0528090765 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37900168 Capacitance of right DL [F/m2] = 3.34043264 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09211808 Adsorption of ion 1 on right wall = -3.87450342 Adsorption of ion 2 on left wall = -3.92107215 Adsorption of ion 2 on right wall = 5.21021775 ------------------------------------------------------------------------ net charge in left DL = -9.01319023 10.0556798 net charge in right DL = 9.08472117 -10.0556798 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.506392228 Relative adsorption of ion 1 on right wall = -0.385304972 Relative adsorption of ion 2 on left wall = -0.389936059 Relative adsorption of ion 2 on right wall = 0.518136801 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00688904957 Right electrode charge = -0.00688904957 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99954 Bulk concentration of Na = 0.99919 ________________________________________________________________________ Average electrode charge 1 = 0.00787624779 Average electrode charge 2 = -0.00787624779 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339365 -0.510841 -0.509569 ________________________________________________________________________ Electrode charge exchange: 0.0781247475 Move Jump Cl: 0.93390 0.37006 Na: 0.93383 0.36958 ________________________________________________________________________ Create NaCl : 1275607. / 3481012. = 0.36645 Destroy NaCl : 1275622. / 3481235. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.1436035 Potential at right wall /kT = -1.15687465 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5631103 Potential at right wall /mV = -29.9061806 ________________________________________________________________________ Capacitance of left DL = 0.0419444481 Capacitance of right DL = 0.0414632803 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38259401 Capacitance of right DL [F/m2] = 3.34379041 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09650706 Adsorption of ion 1 on right wall = -3.8692576 Adsorption of ion 2 on left wall = -3.91614153 Adsorption of ion 2 on right wall = 5.21146795 ------------------------------------------------------------------------ net charge in left DL = -9.01264859 7.88733321 net charge in right DL = 9.08072555 -7.88733321 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.646163528 Relative adsorption of ion 1 on right wall = -0.490566012 Relative adsorption of ion 2 on left wall = -0.496510218 Relative adsorption of ion 2 on right wall = 0.66073891 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00754154613 Right electrode charge = -0.00754154613 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99953 Bulk concentration of Na = 0.99919 ________________________________________________________________________ Average electrode charge 1 = 0.00787408681 Average electrode charge 2 = -0.00787408681 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339359 -0.510841 -0.509564 ________________________________________________________________________ Electrode charge exchange: 0.0781223359 Move Jump Cl: 0.93390 0.37009 Na: 0.93383 0.36962 ________________________________________________________________________ Create NaCl : 1281068. / 3495992. = 0.36644 Destroy NaCl : 1281061. / 3496142. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.14340541 Potential at right wall /kT = -1.1567846 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5579894 Potential at right wall /mV = -29.9038527 ________________________________________________________________________ Capacitance of left DL = 0.0459251732 Capacitance of right DL = 0.0453940097 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38318005 Capacitance of right DL [F/m2] = 3.34405071 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08748546 Adsorption of ion 1 on right wall = -3.87219952 Adsorption of ion 2 on left wall = -3.92436459 Adsorption of ion 2 on right wall = 5.20451495 ------------------------------------------------------------------------ net charge in left DL = -9.01185005 8.63438225 net charge in right DL = 9.07671448 -8.63438225 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.589212443 Relative adsorption of ion 1 on right wall = -0.448462833 Relative adsorption of ion 2 on left wall = -0.454504385 Relative adsorption of ion 2 on right wall = 0.602766336 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0049027398 Right electrode charge = -0.0049027398 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99952 Bulk concentration of Na = 0.99917 ________________________________________________________________________ Average electrode charge 1 = 0.00787074789 Average electrode charge 2 = -0.00787074789 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339318 -0.510841 -0.509523 ________________________________________________________________________ Electrode charge exchange: 0.0781263947 Move Jump Cl: 0.93390 0.37012 Na: 0.93385 0.36962 ________________________________________________________________________ Create NaCl : 1286627. / 3510887. = 0.36647 Destroy NaCl : 1286631. / 3511121. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.14564685 Potential at right wall /kT = -1.15883518 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6159324 Potential at right wall /mV = -29.956862 ________________________________________________________________________ Capacitance of left DL = 0.0297974249 Capacitance of right DL = 0.0294583098 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37656092 Capacitance of right DL [F/m2] = 3.33813334 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08246593 Adsorption of ion 1 on right wall = -3.87556249 Adsorption of ion 2 on left wall = -3.92556876 Adsorption of ion 2 on right wall = 5.20032633 ------------------------------------------------------------------------ net charge in left DL = -9.00803469 5.61318976 net charge in right DL = 9.07588881 -5.61318976 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.905450581 Relative adsorption of ion 1 on right wall = -0.69043853 Relative adsorption of ion 2 on left wall = -0.699347239 Relative adsorption of ion 2 on right wall = 0.926447626 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0095812062 Right electrode charge = -0.0095812062 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99956 Bulk concentration of Na = 0.99921 ________________________________________________________________________ Average electrode charge 1 = 0.00786739784 Average electrode charge 2 = -0.00786739784 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339402 -0.510841 -0.509607 ________________________________________________________________________ Electrode charge exchange: 0.0781317912 Move Jump Cl: 0.93390 0.37011 Na: 0.93384 0.36961 ________________________________________________________________________ Create NaCl : 1292112. / 3525720. = 0.36648 Destroy NaCl : 1292117. / 3526221. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.1467801 Potential at right wall /kT = -1.15953151 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6452279 Potential at right wall /mV = -29.9748627 ________________________________________________________________________ Capacitance of left DL = 0.0581742365 Capacitance of right DL = 0.057534492 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37322419 Capacitance of right DL [F/m2] = 3.33612871 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.07968383 Adsorption of ion 1 on right wall = -3.88650277 Adsorption of ion 2 on left wall = -3.92535123 Adsorption of ion 2 on right wall = 5.18613892 ------------------------------------------------------------------------ net charge in left DL = -9.00503505 10.9696069 net charge in right DL = 9.07264169 -10.9696069 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.463068901 Relative adsorption of ion 1 on right wall = -0.35429736 Relative adsorption of ion 2 on left wall = -0.357838823 Relative adsorption of ion 2 on right wall = 0.472773451 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00568002246 Right electrode charge = -0.00568002246 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99950 Bulk concentration of Na = 0.99915 ________________________________________________________________________ Average electrode charge 1 = 0.00786634316 Average electrode charge 2 = -0.00786634316 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339291 -0.510841 -0.509496 ________________________________________________________________________ Electrode charge exchange: 0.0781366144 Move Jump Cl: 0.93389 0.37010 Na: 0.93383 0.36960 ________________________________________________________________________ Create NaCl : 1297626. / 3540778. = 0.36648 Destroy NaCl : 1297623. / 3541212. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.14766318 Potential at right wall /kT = -1.16031331 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6680563 Potential at right wall /mV = -29.9950728 ________________________________________________________________________ Capacitance of left DL = 0.0344608716 Capacitance of right DL = 0.0340851674 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37062864 Capacitance of right DL [F/m2] = 3.33388089 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08540873 Adsorption of ion 1 on right wall = -3.88190017 Adsorption of ion 2 on left wall = -3.91891499 Adsorption of ion 2 on right wall = 5.19023501 ------------------------------------------------------------------------ net charge in left DL = -9.00432372 6.50310748 net charge in right DL = 9.07213518 -6.50310748 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.781996721 Relative adsorption of ion 1 on right wall = -0.596930035 Relative adsorption of ion 2 on left wall = -0.602621901 Relative adsorption of ion 2 on right wall = 0.798116135 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00687320189 Right electrode charge = -0.00687320189 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99939 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00786583786 Average electrode charge 2 = -0.00786583786 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339068 -0.510841 -0.509273 ________________________________________________________________________ Electrode charge exchange: 0.0781345311 Move Jump Cl: 0.93389 0.37010 Na: 0.93382 0.36965 ________________________________________________________________________ Create NaCl : 1303158. / 3555644. = 0.36650 Destroy NaCl : 1303160. / 3556290. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.15056761 Potential at right wall /kT = -1.16346005 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7431384 Potential at right wall /mV = -30.0764188 ________________________________________________________________________ Capacitance of left DL = 0.0415946628 Capacitance of right DL = 0.0411337474 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36211999 Capacitance of right DL [F/m2] = 3.32486393 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09458709 Adsorption of ion 1 on right wall = -3.88527283 Adsorption of ion 2 on left wall = -3.91210799 Adsorption of ion 2 on right wall = 5.18737963 ------------------------------------------------------------------------ net charge in left DL = -9.00669508 7.86918907 net charge in right DL = 9.07265246 -7.86918907 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.647409414 Relative adsorption of ion 1 on right wall = -0.493732302 Relative adsorption of ion 2 on left wall = -0.497142458 Relative adsorption of ion 2 on right wall = 0.659201296 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00447718218 Right electrode charge = -0.00447718218 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99944 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00786520232 Average electrode charge 2 = -0.00786520232 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339180 -0.510841 -0.509385 ________________________________________________________________________ Electrode charge exchange: 0.0781314188 Move Jump Cl: 0.93387 0.37010 Na: 0.93380 0.36965 ________________________________________________________________________ Create NaCl : 1308652. / 3570553. = 0.36651 Destroy NaCl : 1308650. / 3571287. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.14738249 Potential at right wall /kT = -1.16124736 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6608004 Potential at right wall /mV = -30.0192188 ________________________________________________________________________ Capacitance of left DL = 0.0271698475 Capacitance of right DL = 0.0268454495 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37145319 Capacitance of right DL [F/m2] = 3.33119928 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08784089 Adsorption of ion 1 on right wall = -3.88690309 Adsorption of ion 2 on left wall = -3.9161119 Adsorption of ion 2 on right wall = 5.18373726 ------------------------------------------------------------------------ net charge in left DL = -9.00395279 5.12596511 net charge in right DL = 9.07064035 -5.12596511 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.992562528 Relative adsorption of ion 1 on right wall = -0.758277321 Relative adsorption of ion 2 on left wall = -0.763975528 Relative adsorption of ion 2 on right wall = 1.01127049 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00778380705 Right electrode charge = -0.00778380705 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99950 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.0078673179 Average electrode charge 2 = -0.0078673179 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339302 -0.510841 -0.509506 ________________________________________________________________________ Electrode charge exchange: 0.0781310438 Move Jump Cl: 0.93388 0.37007 Na: 0.93381 0.36967 ________________________________________________________________________ Create NaCl : 1314086. / 3585626. = 0.36649 Destroy NaCl : 1314095. / 3586224. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.15111606 Potential at right wall /kT = -1.16564079 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7573162 Potential at right wall /mV = -30.1327926 ________________________________________________________________________ Capacitance of left DL = 0.0470829429 Capacitance of right DL = 0.0464962554 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36051811 Capacitance of right DL [F/m2] = 3.31864362 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09678875 Adsorption of ion 1 on right wall = -3.89686815 Adsorption of ion 2 on left wall = -3.91261575 Adsorption of ion 2 on right wall = 5.17821257 ------------------------------------------------------------------------ net charge in left DL = -9.0094045 8.91174889 net charge in right DL = 9.07508072 -8.91174889 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.571917904 Relative adsorption of ion 1 on right wall = -0.43727311 Relative adsorption of ion 2 on left wall = -0.43904017 Relative adsorption of ion 2 on right wall = 0.581054586 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806421037 Right electrode charge = -0.00806421037 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99959 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00786878147 Average electrode charge 2 = -0.00786878147 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339459 -0.510841 -0.509663 ________________________________________________________________________ Electrode charge exchange: 0.0781223176 Move Jump Cl: 0.93387 0.37007 Na: 0.93379 0.36965 ________________________________________________________________________ Create NaCl : 1319467. / 3600668. = 0.36645 Destroy NaCl : 1319460. / 3601128. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.15367714 Potential at right wall /kT = -1.16878259 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8235221 Potential at right wall /mV = -30.2140108 ________________________________________________________________________ Capacitance of left DL = 0.0486707698 Capacitance of right DL = 0.0480417442 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35305802 Capacitance of right DL [F/m2] = 3.30972278 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09119853 Adsorption of ion 1 on right wall = -3.90256175 Adsorption of ion 2 on left wall = -3.91984699 Adsorption of ion 2 on right wall = 5.17768328 ------------------------------------------------------------------------ net charge in left DL = -9.01104552 9.2327851 net charge in right DL = 9.08024503 -9.2327851 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.551426083 Relative adsorption of ion 1 on right wall = -0.422685214 Relative adsorption of ion 2 on left wall = -0.424557374 Relative adsorption of ion 2 on right wall = 0.560793219 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1205------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00833889532 Right electrode charge = -0.00833889532 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00786823521 Average electrode charge 2 = -0.00786823521 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339233 -0.510841 -0.509438 ________________________________________________________________________ Electrode charge exchange: 0.0781084519 Move Jump Cl: 0.93387 0.37009 Na: 0.93381 0.36962 ________________________________________________________________________ Create NaCl : 1325033. / 3615620. = 0.36647 Destroy NaCl : 1325047. / 3616196. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.15309373 Potential at right wall /kT = -1.16773275 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8084407 Potential at right wall /mV = -30.1868715 ________________________________________________________________________ Capacitance of left DL = 0.0503540681 Capacitance of right DL = 0.0497228158 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35475448 Capacitance of right DL [F/m2] = 3.31269837 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09484049 Adsorption of ion 1 on right wall = -3.90019008 Adsorption of ion 2 on left wall = -3.91290473 Adsorption of ion 2 on right wall = 5.18111311 ------------------------------------------------------------------------ net charge in left DL = -9.00774522 9.54727432 net charge in right DL = 9.08130319 -9.54727432 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533643459 Relative adsorption of ion 1 on right wall = -0.408513462 Relative adsorption of ion 2 on left wall = -0.409845219 Relative adsorption of ion 2 on right wall = 0.542679821 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1210------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00804646169 Right electrode charge = -0.00804646169 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99921 ________________________________________________________________________ Average electrode charge 1 = 0.00786775605 Average electrode charge 2 = -0.00786775605 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339461 -0.510841 -0.509665 ________________________________________________________________________ Electrode charge exchange: 0.0780998249 Move Jump Cl: 0.93386 0.37011 Na: 0.93383 0.36956 ________________________________________________________________________ Create NaCl : 1330531. / 3630841. = 0.36645 Destroy NaCl : 1330542. / 3630930. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.15418917 Potential at right wall /kT = -1.16828641 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8367586 Potential at right wall /mV = -30.2011842 ________________________________________________________________________ Capacitance of left DL = 0.0485421051 Capacitance of right DL = 0.047956367 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3515705 Capacitance of right DL [F/m2] = 3.31112845 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.08603609 Adsorption of ion 1 on right wall = -3.90701074 Adsorption of ion 2 on left wall = -3.91879358 Adsorption of ion 2 on right wall = 5.1770381 ------------------------------------------------------------------------ net charge in left DL = -9.00482967 9.21246449 net charge in right DL = 9.08404884 -9.21246449 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.552082029 Relative adsorption of ion 1 on right wall = -0.424100494 Relative adsorption of ion 2 on left wall = -0.425379505 Relative adsorption of ion 2 on right wall = 0.561960168 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1215------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00669257827 Right electrode charge = -0.00669257827 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 0.99924 ________________________________________________________________________ Average electrode charge 1 = 0.00786830906 Average electrode charge 2 = -0.00786830906 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339526 -0.510841 -0.509731 ________________________________________________________________________ Electrode charge exchange: 0.0781084114 Move Jump Cl: 0.93384 0.37009 Na: 0.93381 0.36955 ________________________________________________________________________ Create NaCl : 1335935. / 3645963. = 0.36641 Destroy NaCl : 1335933. / 3645920. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.15690157 Potential at right wall /kT = -1.17069663 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9068764 Potential at right wall /mV = -30.2634904 ________________________________________________________________________ Capacitance of left DL = 0.0402798368 Capacitance of right DL = 0.0398051938 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34371262 Capacitance of right DL [F/m2] = 3.30431152 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09022271 Adsorption of ion 1 on right wall = -3.90019615 Adsorption of ion 2 on left wall = -3.91605463 Adsorption of ion 2 on right wall = 5.18729551 ------------------------------------------------------------------------ net charge in left DL = -9.00627734 7.6623915 net charge in right DL = 9.08749166 -7.6623915 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.664312534 Relative adsorption of ion 1 on right wall = -0.509005074 Relative adsorption of ion 2 on left wall = -0.511074725 Relative adsorption of ion 2 on right wall = 0.676981268 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1220------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00485831661 Right electrode charge = -0.00485831661 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99953 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00786985048 Average electrode charge 2 = -0.00786985048 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339290 -0.510841 -0.509494 ________________________________________________________________________ Electrode charge exchange: 0.0781194564 Move Jump Cl: 0.93384 0.37011 Na: 0.93379 0.36958 ________________________________________________________________________ Create NaCl : 1341443. / 3660845. = 0.36643 Destroy NaCl : 1341444. / 3660922. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.15304516 Potential at right wall /kT = -1.16717143 ------------------------------------------------------------------------ Potential at left wall /mV = 29.807185 Potential at right wall /mV = -30.172361 ________________________________________________________________________ Capacitance of left DL = 0.029337976 Capacitance of right DL = 0.0289828986 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35489581 Capacitance of right DL [F/m2] = 3.31429151 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.09826922 Adsorption of ion 1 on right wall = -3.89294751 Adsorption of ion 2 on left wall = -3.90950028 Adsorption of ion 2 on right wall = 5.19195867 ------------------------------------------------------------------------ net charge in left DL = -9.0077695 5.56232926 net charge in right DL = 9.08490618 -5.56232926 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.916570916 Relative adsorption of ion 1 on right wall = -0.699877216 Relative adsorption of ion 2 on left wall = -0.702853086 Relative adsorption of ion 2 on right wall = 0.933414479 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1225------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00669547923 Right electrode charge = -0.00669547923 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00787053941 Average electrode charge 2 = -0.00787053941 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339209 -0.510841 -0.509414 ________________________________________________________________________ Electrode charge exchange: 0.0781219392 Move Jump Cl: 0.93384 0.37012 Na: 0.93379 0.36958 ________________________________________________________________________ Create NaCl : 1346877. / 3675749. = 0.36642 Destroy NaCl : 1346885. / 3675983. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.15242746 Potential at right wall /kT = -1.16622094 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7912171 Potential at right wall /mV = -30.14779 ________________________________________________________________________ Capacitance of left DL = 0.0404537438 Capacitance of right DL = 0.0399752773 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35669401 Capacitance of right DL [F/m2] = 3.31699272 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.10387857 Adsorption of ion 1 on right wall = -3.89001762 Adsorption of ion 2 on left wall = -3.90379125 Adsorption of ion 2 on right wall = 5.19549677 ------------------------------------------------------------------------ net charge in left DL = -9.00766982 7.66571283 net charge in right DL = 9.08551439 -7.66571283 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.665806127 Relative adsorption of ion 1 on right wall = -0.507456737 Relative adsorption of ion 2 on left wall = -0.509253522 Relative adsorption of ion 2 on right wall = 0.677757814 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1230------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00668457139 Right electrode charge = -0.00668457139 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00786939109 Average electrode charge 2 = -0.00786939109 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339212 -0.510841 -0.509417 ________________________________________________________________________ Electrode charge exchange: 0.0781207536 Move Jump Cl: 0.93384 0.37012 Na: 0.93379 0.36956 ________________________________________________________________________ Create NaCl : 1352245. / 3690708. = 0.36639 Destroy NaCl : 1352240. / 3691004. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.15302783 Potential at right wall /kT = -1.16725314 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8067371 Potential at right wall /mV = -30.1744733 ________________________________________________________________________ Capacitance of left DL = 0.0403668097 Capacitance of right DL = 0.0398748596 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35494622 Capacitance of right DL [F/m2] = 3.31405951 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.10819311 Adsorption of ion 1 on right wall = -3.89004619 Adsorption of ion 2 on left wall = -3.89892225 Adsorption of ion 2 on right wall = 5.19454062 ------------------------------------------------------------------------ net charge in left DL = -9.00711536 7.65322436 net charge in right DL = 9.08458681 -7.65322436 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.667456338 Relative adsorption of ion 1 on right wall = -0.508288534 Relative adsorption of ion 2 on left wall = -0.509448315 Relative adsorption of ion 2 on right wall = 0.67873884 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1235------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101005609 Right electrode charge = -0.0101005609 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99941 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.0078708029 Average electrode charge 2 = -0.0078708029 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339100 -0.510841 -0.509305 ________________________________________________________________________ Electrode charge exchange: 0.0781140192 Move Jump Cl: 0.93383 0.37014 Na: 0.93380 0.36958 ________________________________________________________________________ Create NaCl : 1357724. / 3705754. = 0.36638 Destroy NaCl : 1357736. / 3706002. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.1525394 Potential at right wall /kT = -1.1666558 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7941106 Potential at right wall /mV = -30.1590314 ________________________________________________________________________ Capacitance of left DL = 0.0610211467 Capacitance of right DL = 0.0602827979 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35636802 Capacitance of right DL [F/m2] = 3.31575635 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11652212 Adsorption of ion 1 on right wall = -3.89578759 Adsorption of ion 2 on left wall = -3.8950907 Adsorption of ion 2 on right wall = 5.18674128 ------------------------------------------------------------------------ net charge in left DL = -9.01161282 11.5642207 net charge in right DL = 9.08252888 -11.5642207 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.442444179 Relative adsorption of ion 1 on right wall = -0.336882848 Relative adsorption of ion 2 on left wall = -0.336822585 Relative adsorption of ion 2 on right wall = 0.448516284 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1240------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0106293066 Right electrode charge = -0.0106293066 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99950 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00787042132 Average electrode charge 2 = -0.00787042132 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339278 -0.510841 -0.509483 ________________________________________________________________________ Electrode charge exchange: 0.0781205763 Move Jump Cl: 0.93383 0.37012 Na: 0.93379 0.36956 ________________________________________________________________________ Create NaCl : 1363172. / 3720731. = 0.36637 Destroy NaCl : 1363171. / 3720970. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.15219981 Potential at right wall /kT = -1.1665307 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7853321 Potential at right wall /mV = -30.1557975 ________________________________________________________________________ Capacitance of left DL = 0.0642344169 Capacitance of right DL = 0.063445294 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35735723 Capacitance of right DL [F/m2] = 3.31611193 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11008017 Adsorption of ion 1 on right wall = -3.89967709 Adsorption of ion 2 on left wall = -3.90176973 Adsorption of ion 2 on right wall = 5.18153067 ------------------------------------------------------------------------ net charge in left DL = -9.0118499 12.1695862 net charge in right DL = 9.08120776 -12.1695862 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.419905827 Relative adsorption of ion 1 on right wall = -0.320444509 Relative adsorption of ion 2 on left wall = -0.320616466 Relative adsorption of ion 2 on right wall = 0.425777062 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1245------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00993491539 Right electrode charge = -0.00993491539 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00786867727 Average electrode charge 2 = -0.00786867727 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339270 -0.510841 -0.509474 ________________________________________________________________________ Electrode charge exchange: 0.0781271652 Move Jump Cl: 0.93384 0.37008 Na: 0.93377 0.36954 ________________________________________________________________________ Create NaCl : 1368664. / 3735743. = 0.36637 Destroy NaCl : 1368662. / 3736094. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 1.15826799 Potential at right wall /kT = -1.17271736 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9421995 Potential at right wall /mV = -30.315728 ________________________________________________________________________ Capacitance of left DL = 0.0597235717 Capacitance of right DL = 0.058987701 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33976801 Capacitance of right DL [F/m2] = 3.2986178 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12138633 Adsorption of ion 1 on right wall = -3.90798188 Adsorption of ion 2 on left wall = -3.89284972 Adsorption of ion 2 on right wall = 5.17470443 ------------------------------------------------------------------------ net charge in left DL = -9.01423605 11.3745717 net charge in right DL = 9.0826863 -11.3745717 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.450248719 Relative adsorption of ion 1 on right wall = -0.343571783 Relative adsorption of ion 2 on left wall = -0.342241434 Relative adsorption of ion 2 on right wall = 0.454936201 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1250------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.010371258 Right electrode charge = -0.010371258 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.0078684571 Average electrode charge 2 = -0.0078684571 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339261 -0.510841 -0.509465 ________________________________________________________________________ Electrode charge exchange: 0.0781242186 Move Jump Cl: 0.93384 0.37007 Na: 0.93377 0.36955 ________________________________________________________________________ Create NaCl : 1374098. / 3750779. = 0.36635 Destroy NaCl : 1374100. / 3751099. = 0.36632 ________________________________________________________________________ Potential at left wall /kT = 1.15874834 Potential at right wall /kT = -1.17314771 ------------------------------------------------------------------------ Potential at left wall /mV = 29.954617 Potential at right wall /mV = -30.3268529 ________________________________________________________________________ Capacitance of left DL = 0.0623207919 Capacitance of right DL = 0.0615558583 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33838352 Capacitance of right DL [F/m2] = 3.29740776 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12136714 Adsorption of ion 1 on right wall = -3.90636806 Adsorption of ion 2 on left wall = -3.89291285 Adsorption of ion 2 on right wall = 5.17623715 ------------------------------------------------------------------------ net charge in left DL = -9.01428 11.8741441 net charge in right DL = 9.0826052 -11.8741441 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.431304109 Relative adsorption of ion 1 on right wall = -0.328981022 Relative adsorption of ion 2 on left wall = -0.32784787 Relative adsorption of ion 2 on right wall = 0.435925074 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1255------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0085591528 Right electrode charge = -0.0085591528 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99948 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00786846644 Average electrode charge 2 = -0.00786846644 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339228 -0.510841 -0.509432 ________________________________________________________________________ Electrode charge exchange: 0.0781178515 Move Jump Cl: 0.93383 0.37008 Na: 0.93377 0.36955 ________________________________________________________________________ Create NaCl : 1379633. / 3765795. = 0.36636 Destroy NaCl : 1379648. / 3766232. = 0.36632 ________________________________________________________________________ Potential at left wall /kT = 1.16247465 Potential at right wall /kT = -1.17675663 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0509453 Potential at right wall /mV = -30.4201463 ________________________________________________________________________ Capacitance of left DL = 0.0512670043 Capacitance of right DL = 0.0506447906 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.32768234 Capacitance of right DL [F/m2] = 3.28729517 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1186131 Adsorption of ion 1 on right wall = -3.91109514 Adsorption of ion 2 on left wall = -3.89567471 Adsorption of ion 2 on right wall = 5.17601879 ------------------------------------------------------------------------ net charge in left DL = -9.0142878 9.79944903 net charge in right DL = 9.08711392 -9.79944903 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.522336825 Relative adsorption of ion 1 on right wall = -0.399113779 Relative adsorption of ion 2 on left wall = -0.397540177 Relative adsorption of ion 2 on right wall = 0.528194878 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1260------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00555756734 Right electrode charge = -0.00555756734 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00787071267 Average electrode charge 2 = -0.00787071267 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339217 -0.510841 -0.509421 ________________________________________________________________________ Electrode charge exchange: 0.078118128 Move Jump Cl: 0.93386 0.37007 Na: 0.93377 0.36954 ________________________________________________________________________ Create NaCl : 1385077. / 3780772. = 0.36635 Destroy NaCl : 1385084. / 3781269. = 0.36630 ________________________________________________________________________ Potential at left wall /kT = 1.1576355 Potential at right wall /kT = -1.17197955 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9258493 Potential at right wall /mV = -30.2966549 ________________________________________________________________________ Capacitance of left DL = 0.0334274731 Capacitance of right DL = 0.0330183489 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34159272 Capacitance of right DL [F/m2] = 3.30069443 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11426183 Adsorption of ion 1 on right wall = -3.91487362 Adsorption of ion 2 on left wall = -3.89726393 Adsorption of ion 2 on right wall = 5.17360776 ------------------------------------------------------------------------ net charge in left DL = -9.01152576 6.36290754 net charge in right DL = 9.08848138 -6.36290754 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.80376177 Relative adsorption of ion 1 on right wall = -0.615264892 Relative adsorption of ion 2 on left wall = -0.612497339 Relative adsorption of ion 2 on right wall = 0.813088628 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1265------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00649110141 Right electrode charge = -0.00649110141 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99961 Bulk concentration of Na = 0.99921 ________________________________________________________________________ Average electrode charge 1 = 0.00786970594 Average electrode charge 2 = -0.00786970594 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339447 -0.510841 -0.509651 ________________________________________________________________________ Electrode charge exchange: 0.0781318173 Move Jump Cl: 0.93386 0.37007 Na: 0.93377 0.36951 ________________________________________________________________________ Create NaCl : 1390581. / 3795925. = 0.36634 Destroy NaCl : 1390577. / 3796165. = 0.36631 ________________________________________________________________________ Potential at left wall /kT = 1.1553427 Potential at right wall /kT = -1.16975885 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8665784 Potential at right wall /mV = -30.2392479 ________________________________________________________________________ Capacitance of left DL = 0.0391199437 Capacitance of right DL = 0.0386378283 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34822418 Capacitance of right DL [F/m2] = 3.30696056 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11824561 Adsorption of ion 1 on right wall = -3.92662257 Adsorption of ion 2 on left wall = -3.89043092 Adsorption of ion 2 on right wall = 5.15977257 ------------------------------------------------------------------------ net charge in left DL = -9.00867653 7.43171888 net charge in right DL = 9.08639514 -7.43171888 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.688702802 Relative adsorption of ion 1 on right wall = -0.528359944 Relative adsorption of ion 2 on left wall = -0.523490055 Relative adsorption of ion 2 on right wall = 0.694290602 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1270------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0035186779 Right electrode charge = -0.0035186779 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00787133233 Average electrode charge 2 = -0.00787133233 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339512 -0.510841 -0.509717 ________________________________________________________________________ Electrode charge exchange: 0.0781406593 Move Jump Cl: 0.93387 0.37008 Na: 0.93377 0.36949 ________________________________________________________________________ Create NaCl : 1395898. / 3810849. = 0.36630 Destroy NaCl : 1395916. / 3811022. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.1564263 Potential at right wall /kT = -1.17098322 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8945902 Potential at right wall /mV = -30.2708989 ________________________________________________________________________ Capacitance of left DL = 0.0211861581 Capacitance of right DL = 0.0209227851 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34508683 Capacitance of right DL [F/m2] = 3.30350282 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11965358 Adsorption of ion 1 on right wall = -3.93864715 Adsorption of ion 2 on left wall = -3.89010921 Adsorption of ion 2 on right wall = 5.15157865 ------------------------------------------------------------------------ net charge in left DL = -9.00976279 4.02856516 net charge in right DL = 9.09022579 -4.02856516 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.27083797 Relative adsorption of ion 1 on right wall = -0.977679891 Relative adsorption of ion 2 on left wall = -0.965631449 Relative adsorption of ion 2 on right wall = 1.27876265 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1275------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0076712777 Right electrode charge = -0.0076712777 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 177 -1.00 3.0000 1.5000 Na ion: 177 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99950 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00787331055 Average electrode charge 2 = -0.00787331055 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339234 -0.510841 -0.509439 ________________________________________________________________________ Electrode charge exchange: 0.0781340937 Move Jump Cl: 0.93386 0.37009 Na: 0.93377 0.36950 ________________________________________________________________________ Create NaCl : 1401455. / 3825559. = 0.36634 Destroy NaCl : 1401478. / 3826128. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 1.15597273 Potential at right wall /kT = -1.16983861 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8828653 Potential at right wall /mV = -30.2413099 ________________________________________________________________________ Capacitance of left DL = 0.0462073185 Capacitance of right DL = 0.0456596317 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34639932 Capacitance of right DL [F/m2] = 3.30673507 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12470435 Adsorption of ion 1 on right wall = -3.9382997 Adsorption of ion 2 on left wall = -3.8873087 Adsorption of ion 2 on right wall = 5.15301221 ------------------------------------------------------------------------ net charge in left DL = -9.01201306 8.78291305 net charge in right DL = 9.09131191 -8.78291305 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.583485721 Relative adsorption of ion 1 on right wall = -0.448404724 Relative adsorption of ion 2 on left wall = -0.442599019 Relative adsorption of ion 2 on right wall = 0.586708781 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1280------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.011649928 Right electrode charge = -0.011649928 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99951 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00787437578 Average electrode charge 2 = -0.00787437578 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339257 -0.510841 -0.509461 ________________________________________________________________________ Electrode charge exchange: 0.078121425 Move Jump Cl: 0.93384 0.37007 Na: 0.93379 0.36948 ________________________________________________________________________ Create NaCl : 1406962. / 3840531. = 0.36635 Destroy NaCl : 1406963. / 3841237. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.15703103 Potential at right wall /kT = -1.17018805 ------------------------------------------------------------------------ Potential at left wall /mV = 29.910223 Potential at right wall /mV = -30.2503431 ________________________________________________________________________ Capacitance of left DL = 0.0701082115 Capacitance of right DL = 0.069319949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34333849 Capacitance of right DL [F/m2] = 3.30574763 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12673405 Adsorption of ion 1 on right wall = -3.93672337 Adsorption of ion 2 on left wall = -3.88677457 Adsorption of ion 2 on right wall = 5.1563348 ------------------------------------------------------------------------ net charge in left DL = -9.01350863 13.3381046 net charge in right DL = 9.09305817 -13.3381046 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.384367509 Relative adsorption of ion 1 on right wall = -0.295148635 Relative adsorption of ion 2 on left wall = -0.291403815 Relative adsorption of ion 2 on right wall = 0.386586771 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1285------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0113328391 Right electrode charge = -0.0113328391 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99953 Bulk concentration of Na = 0.99915 ________________________________________________________________________ Average electrode charge 1 = 0.00787698991 Average electrode charge 2 = -0.00787698991 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339314 -0.510841 -0.509519 ________________________________________________________________________ Electrode charge exchange: 0.0781263242 Move Jump Cl: 0.93386 0.37007 Na: 0.93381 0.36948 ________________________________________________________________________ Create NaCl : 1412523. / 3855598. = 0.36636 Destroy NaCl : 1412528. / 3856341. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 1.15877294 Potential at right wall /kT = -1.17136283 ------------------------------------------------------------------------ Potential at left wall /mV = 29.955253 Potential at right wall /mV = -30.2807122 ________________________________________________________________________ Capacitance of left DL = 0.0680974785 Capacitance of right DL = 0.0673655619 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33831265 Capacitance of right DL [F/m2] = 3.30243223 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12291334 Adsorption of ion 1 on right wall = -3.93687991 Adsorption of ion 2 on left wall = -3.89650481 Adsorption of ion 2 on right wall = 5.15784149 ------------------------------------------------------------------------ net charge in left DL = -9.01941815 12.9750668 net charge in right DL = 9.0947214 -12.9750668 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.394827512 Relative adsorption of ion 1 on right wall = -0.303418855 Relative adsorption of ion 2 on left wall = -0.30030711 Relative adsorption of ion 2 on right wall = 0.397519455 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1290------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00785207533 Right electrode charge = -0.00785207533 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99953 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00787469878 Average electrode charge 2 = -0.00787469878 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339298 -0.510841 -0.509503 ________________________________________________________________________ Electrode charge exchange: 0.0781169056 Move Jump Cl: 0.93386 0.37008 Na: 0.93382 0.36950 ________________________________________________________________________ Create NaCl : 1417963. / 3870773. = 0.36633 Destroy NaCl : 1417963. / 3871202. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.15770923 Potential at right wall /kT = -1.17039538 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9277553 Potential at right wall /mV = -30.2557027 ________________________________________________________________________ Capacitance of left DL = 0.0472253965 Capacitance of right DL = 0.0467135112 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3413799 Capacitance of right DL [F/m2] = 3.30516204 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12501364 Adsorption of ion 1 on right wall = -3.9361277 Adsorption of ion 2 on left wall = -3.89087935 Adsorption of ion 2 on right wall = 5.15566329 ------------------------------------------------------------------------ net charge in left DL = -9.01589299 8.98990984 net charge in right DL = 9.09179099 -8.98990984 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.570085099 Relative adsorption of ion 1 on right wall = -0.437838395 Relative adsorption of ion 2 on left wall = -0.432805157 Relative adsorption of ion 2 on right wall = 0.573494438 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1295------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00555236939 Right electrode charge = -0.00555236939 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99951 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00787112234 Average electrode charge 2 = -0.00787112234 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339237 -0.510841 -0.509442 ________________________________________________________________________ Electrode charge exchange: 0.0781039824 Move Jump Cl: 0.93387 0.37006 Na: 0.93381 0.36948 ________________________________________________________________________ Create NaCl : 1423360. / 3885514. = 0.36632 Destroy NaCl : 1423357. / 3886200. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15729399 Potential at right wall /kT = -1.16939722 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9170209 Potential at right wall /mV = -30.2298996 ________________________________________________________________________ Capacitance of left DL = 0.0334060637 Capacitance of right DL = 0.0330603118 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3425788 Capacitance of right DL [F/m2] = 3.3079832 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12591911 Adsorption of ion 1 on right wall = -3.94033276 Adsorption of ion 2 on left wall = -3.88370884 Adsorption of ion 2 on right wall = 5.14890905 ------------------------------------------------------------------------ net charge in left DL = -9.00962795 6.35695637 net charge in right DL = 9.0892418 -6.35695637 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.806348009 Relative adsorption of ion 1 on right wall = -0.619845808 Relative adsorption of ion 2 on left wall = -0.610938414 Relative adsorption of ion 2 on right wall = 0.809964509 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1300------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00530198192 Right electrode charge = -0.00530198192 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 169 -1.00 3.0000 1.5000 Na ion: 169 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99947 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00787272619 Average electrode charge 2 = -0.00787272619 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339160 -0.510841 -0.509365 ________________________________________________________________________ Electrode charge exchange: 0.0781247209 Move Jump Cl: 0.93385 0.37006 Na: 0.93379 0.36948 ________________________________________________________________________ Create NaCl : 1428776. / 3900446. = 0.36631 Destroy NaCl : 1428807. / 3901265. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15831574 Potential at right wall /kT = -1.17036947 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9434338 Potential at right wall /mV = -30.2550329 ________________________________________________________________________ Capacitance of left DL = 0.0318714586 Capacitance of right DL = 0.0315432118 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33963034 Capacitance of right DL [F/m2] = 3.30523521 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13459648 Adsorption of ion 1 on right wall = -3.94188345 Adsorption of ion 2 on left wall = -3.8760724 Adsorption of ion 2 on right wall = 5.15130177 ------------------------------------------------------------------------ net charge in left DL = -9.01066888 6.07028555 net charge in right DL = 9.09318522 -6.07028555 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.845857487 Relative adsorption of ion 1 on right wall = -0.649373644 Relative adsorption of ion 2 on left wall = -0.638532136 Relative adsorption of ion 2 on right wall = 0.848609464 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1305------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00820730551 Right electrode charge = -0.00820730551 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99945 Bulk concentration of Na = 0.99900 ________________________________________________________________________ Average electrode charge 1 = 0.0078728902 Average electrode charge 2 = -0.0078728902 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339091 -0.510841 -0.509295 ________________________________________________________________________ Electrode charge exchange: 0.0781310386 Move Jump Cl: 0.93387 0.37006 Na: 0.93379 0.36949 ________________________________________________________________________ Create NaCl : 1434294. / 3915406. = 0.36632 Destroy NaCl : 1434291. / 3916375. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15536533 Potential at right wall /kT = -1.16693875 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8671635 Potential at right wall /mV = -30.1663459 ________________________________________________________________________ Capacitance of left DL = 0.0494620281 Capacitance of right DL = 0.0489714759 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34815859 Capacitance of right DL [F/m2] = 3.31495238 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.135381 Adsorption of ion 1 on right wall = -3.94444206 Adsorption of ion 2 on left wall = -3.87087272 Adsorption of ion 2 on right wall = 5.14959542 ------------------------------------------------------------------------ net charge in left DL = -9.00625371 9.39661599 net charge in right DL = 9.09403747 -9.39661599 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.546513873 Relative adsorption of ion 1 on right wall = -0.419772614 Relative adsorption of ion 2 on left wall = -0.41194327 Relative adsorption of ion 2 on right wall = 0.54802659 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1310------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00887943071 Right electrode charge = -0.00887943071 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99945 Bulk concentration of Na = 0.99898 ________________________________________________________________________ Average electrode charge 1 = 0.00787012026 Average electrode charge 2 = -0.00787012026 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339058 -0.510841 -0.509263 ________________________________________________________________________ Electrode charge exchange: 0.0781200868 Move Jump Cl: 0.93389 0.37006 Na: 0.93380 0.36950 ________________________________________________________________________ Create NaCl : 1439846. / 3930577. = 0.36632 Destroy NaCl : 1439842. / 3931450. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15460567 Potential at right wall /kT = -1.16647488 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8475255 Potential at right wall /mV = -30.1543545 ________________________________________________________________________ Capacitance of left DL = 0.0535478563 Capacitance of right DL = 0.0530029919 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35036149 Capacitance of right DL [F/m2] = 3.31627062 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12688323 Adsorption of ion 1 on right wall = -3.94550151 Adsorption of ion 2 on left wall = -3.874212 Adsorption of ion 2 on right wall = 5.14702732 ------------------------------------------------------------------------ net charge in left DL = -9.00109522 10.166138 net charge in right DL = 9.09252882 -10.166138 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.504309819 Relative adsorption of ion 1 on right wall = -0.388102296 Relative adsorption of ion 2 on left wall = -0.381089849 Relative adsorption of ion 2 on right wall = 0.506291308 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1315------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00651822666 Right electrode charge = -0.00651822666 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99948 Bulk concentration of Na = 0.99902 ________________________________________________________________________ Average electrode charge 1 = 0.00786959564 Average electrode charge 2 = -0.00786959564 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339132 -0.510841 -0.509337 ________________________________________________________________________ Electrode charge exchange: 0.0781146243 Move Jump Cl: 0.93388 0.37005 Na: 0.93381 0.36949 ________________________________________________________________________ Create NaCl : 1445333. / 3945728. = 0.36630 Destroy NaCl : 1445345. / 3946374. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15620571 Potential at right wall /kT = -1.16819767 ------------------------------------------------------------------------ Potential at left wall /mV = 29.888888 Potential at right wall /mV = -30.1988901 ________________________________________________________________________ Capacitance of left DL = 0.0392540978 Capacitance of right DL = 0.0388511408 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34572501 Capacitance of right DL [F/m2] = 3.31137998 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12337193 Adsorption of ion 1 on right wall = -3.94382984 Adsorption of ion 2 on left wall = -3.87970882 Adsorption of ion 2 on right wall = 5.14759625 ------------------------------------------------------------------------ net charge in left DL = -9.00308075 7.46277482 net charge in right DL = 9.09142609 -7.46277482 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.68652372 Relative adsorption of ion 1 on right wall = -0.528466949 Relative adsorption of ion 2 on left wall = -0.519874834 Relative adsorption of ion 2 on right wall = 0.689769741 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1320------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.004606264 Right electrode charge = -0.004606264 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 206 -1.00 3.0000 1.5000 Na ion: 206 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99950 Bulk concentration of Na = 0.99906 ________________________________________________________________________ Average electrode charge 1 = 0.00786924209 Average electrode charge 2 = -0.00786924209 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339194 -0.510841 -0.509399 ________________________________________________________________________ Electrode charge exchange: 0.0781235133 Move Jump Cl: 0.93388 0.37005 Na: 0.93382 0.36950 ________________________________________________________________________ Create NaCl : 1450822. / 3960683. = 0.36631 Destroy NaCl : 1450816. / 3961298. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15554166 Potential at right wall /kT = -1.16709254 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8717216 Potential at right wall /mV = -30.1703216 ________________________________________________________________________ Capacitance of left DL = 0.0277558078 Capacitance of right DL = 0.0274811045 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3476477 Capacitance of right DL [F/m2] = 3.31451554 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12123925 Adsorption of ion 1 on right wall = -3.94573139 Adsorption of ion 2 on left wall = -3.8826803 Adsorption of ion 2 on right wall = 5.14301888 ------------------------------------------------------------------------ net charge in left DL = -9.00391955 5.27375201 net charge in right DL = 9.08875027 -5.27375201 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.971080786 Relative adsorption of ion 1 on right wall = -0.74818296 Relative adsorption of ion 2 on left wall = -0.736227317 Relative adsorption of ion 2 on right wall = 0.975210603 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1325------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00569611176 Right electrode charge = -0.00569611176 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99946 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00786824599 Average electrode charge 2 = -0.00786824599 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339148 -0.510841 -0.509353 ________________________________________________________________________ Electrode charge exchange: 0.0781138643 Move Jump Cl: 0.93388 0.37008 Na: 0.93382 0.36952 ________________________________________________________________________ Create NaCl : 1456291. / 3975572. = 0.36631 Destroy NaCl : 1456309. / 3976288. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15230603 Potential at right wall /kT = -1.16397077 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7880779 Potential at right wall /mV = -30.0896212 ________________________________________________________________________ Capacitance of left DL = 0.0344192434 Capacitance of right DL = 0.0340743108 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35704775 Capacitance of right DL [F/m2] = 3.32340508 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12137228 Adsorption of ion 1 on right wall = -3.94698099 Adsorption of ion 2 on left wall = -3.88237237 Adsorption of ion 2 on right wall = 5.13589612 ------------------------------------------------------------------------ net charge in left DL = -9.00374466 6.52152826 net charge in right DL = 9.0828771 -6.52152826 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.785302475 Relative adsorption of ion 1 on right wall = -0.60522332 Relative adsorption of ion 2 on left wall = -0.595316346 Relative adsorption of ion 2 on right wall = 0.787529535 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1330------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0065761123 Right electrode charge = -0.0065761123 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99935 Bulk concentration of Na = 0.99894 ________________________________________________________________________ Average electrode charge 1 = 0.00786799163 Average electrode charge 2 = -0.00786799163 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338923 -0.510841 -0.509128 ________________________________________________________________________ Electrode charge exchange: 0.0781112491 Move Jump Cl: 0.93387 0.37010 Na: 0.93383 0.36952 ________________________________________________________________________ Create NaCl : 1461876. / 3990507. = 0.36634 Destroy NaCl : 1461896. / 3991408. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15321383 Potential at right wall /kT = -1.16480698 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8115453 Potential at right wall /mV = -30.111238 ________________________________________________________________________ Capacitance of left DL = 0.0397054417 Capacitance of right DL = 0.0393102592 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35440512 Capacitance of right DL [F/m2] = 3.32101921 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11825612 Adsorption of ion 1 on right wall = -3.94103316 Adsorption of ion 2 on left wall = -3.88563173 Adsorption of ion 2 on right wall = 5.14227022 ------------------------------------------------------------------------ net charge in left DL = -9.00388785 7.52904859 net charge in right DL = 9.08330338 -7.52904859 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.679801181 Relative adsorption of ion 1 on right wall = -0.523443715 Relative adsorption of ion 2 on left wall = -0.516085357 Relative adsorption of ion 2 on right wall = 0.682990707 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1335------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00756237624 Right electrode charge = -0.00756237624 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99932 Bulk concentration of Na = 0.99894 ________________________________________________________________________ Average electrode charge 1 = 0.00786610795 Average electrode charge 2 = -0.00786610795 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.338894 -0.510841 -0.509099 ________________________________________________________________________ Electrode charge exchange: 0.0781214621 Move Jump Cl: 0.93387 0.37007 Na: 0.93381 0.36953 ________________________________________________________________________ Create NaCl : 1467388. / 4005510. = 0.36634 Destroy NaCl : 1467377. / 4006390. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15580683 Potential at right wall /kT = -1.16732615 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8785765 Potential at right wall /mV = -30.1763607 ________________________________________________________________________ Capacitance of left DL = 0.0455578979 Capacitance of right DL = 0.0451083267 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34687966 Capacitance of right DL [F/m2] = 3.31385222 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12011035 Adsorption of ion 1 on right wall = -3.94298053 Adsorption of ion 2 on left wall = -3.88522589 Adsorption of ion 2 on right wall = 5.13790283 ------------------------------------------------------------------------ net charge in left DL = -9.00533624 8.65823082 net charge in right DL = 9.08088336 -8.65823082 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.591357572 Relative adsorption of ion 1 on right wall = -0.455402566 Relative adsorption of ion 2 on left wall = -0.448732076 Relative adsorption of ion 2 on right wall = 0.59341255 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1340------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00956645848 Right electrode charge = -0.00956645848 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99940 Bulk concentration of Na = 0.99900 ________________________________________________________________________ Average electrode charge 1 = 0.00786669964 Average electrode charge 2 = -0.00786669964 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339038 -0.510841 -0.509242 ________________________________________________________________________ Electrode charge exchange: 0.0781147758 Move Jump Cl: 0.93387 0.37005 Na: 0.93379 0.36950 ________________________________________________________________________ Create NaCl : 1472703. / 4020446. = 0.36630 Destroy NaCl : 1472705. / 4021278. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15838984 Potential at right wall /kT = -1.16975575 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9453496 Potential at right wall /mV = -30.2391677 ________________________________________________________________________ Capacitance of left DL = 0.0575025498 Capacitance of right DL = 0.0569438277 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33941669 Capacitance of right DL [F/m2] = 3.30696932 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.123576 Adsorption of ion 1 on right wall = -3.94528644 Adsorption of ion 2 on left wall = -3.88345324 Adsorption of ion 2 on right wall = 5.13825161 ------------------------------------------------------------------------ net charge in left DL = -9.00702923 10.9527221 net charge in right DL = 9.08353805 -10.9527221 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.467790193 Relative adsorption of ion 1 on right wall = -0.360210584 Relative adsorption of ion 2 on left wall = -0.35456512 Relative adsorption of ion 2 on right wall = 0.469130098 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1345------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00996942201 Right electrode charge = -0.00996942201 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99951 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00786635593 Average electrode charge 2 = -0.00786635593 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339225 -0.510841 -0.509430 ________________________________________________________________________ Electrode charge exchange: 0.078106937 Move Jump Cl: 0.93386 0.37002 Na: 0.93377 0.36948 ________________________________________________________________________ Create NaCl : 1478141. / 4035437. = 0.36629 Destroy NaCl : 1478145. / 4036158. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15793323 Potential at right wall /kT = -1.16963568 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9335457 Potential at right wall /mV = -30.2360638 ________________________________________________________________________ Capacitance of left DL = 0.0599483336 Capacitance of right DL = 0.0593485382 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34073353 Capacitance of right DL [F/m2] = 3.30730881 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12519664 Adsorption of ion 1 on right wall = -3.94776396 Adsorption of ion 2 on left wall = -3.87842219 Adsorption of ion 2 on right wall = 5.13783357 ------------------------------------------------------------------------ net charge in left DL = -9.00361883 11.4140786 net charge in right DL = 9.08559753 -11.4140786 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.449024123 Relative adsorption of ion 1 on right wall = -0.345867949 Relative adsorption of ion 2 on left wall = -0.33979284 Relative adsorption of ion 2 on right wall = 0.450131258 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1350------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00713846428 Right electrode charge = -0.00713846428 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 221 -1.00 3.0000 1.5000 Na ion: 221 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99957 Bulk concentration of Na = 0.99914 ________________________________________________________________________ Average electrode charge 1 = 0.00786728462 Average electrode charge 2 = -0.00786728462 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339345 -0.510841 -0.509550 ________________________________________________________________________ Electrode charge exchange: 0.0781030294 Move Jump Cl: 0.93385 0.37004 Na: 0.93377 0.36949 ________________________________________________________________________ Create NaCl : 1483647. / 4050528. = 0.36628 Destroy NaCl : 1483626. / 4051096. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15638287 Potential at right wall /kT = -1.16785959 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8934677 Potential at right wall /mV = -30.1901506 ________________________________________________________________________ Capacitance of left DL = 0.0429827098 Capacitance of right DL = 0.0425603127 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34521244 Capacitance of right DL [F/m2] = 3.31233857 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11752412 Adsorption of ion 1 on right wall = -3.95242452 Adsorption of ion 2 on left wall = -3.8856339 Adsorption of ion 2 on right wall = 5.13356573 ------------------------------------------------------------------------ net charge in left DL = -9.00315802 8.17289029 net charge in right DL = 9.08599025 -8.17289029 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.626158426 Relative adsorption of ion 1 on right wall = -0.483601808 Relative adsorption of ion 2 on left wall = -0.475429592 Relative adsorption of ion 2 on right wall = 0.628121209 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1355------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00890543041 Right electrode charge = -0.00890543041 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 219 -1.00 3.0000 1.5000 Na ion: 219 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99919 ________________________________________________________________________ Average electrode charge 1 = 0.00786811172 Average electrode charge 2 = -0.00786811172 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339439 -0.510841 -0.509644 ________________________________________________________________________ Electrode charge exchange: 0.0780950112 Move Jump Cl: 0.93388 0.37005 Na: 0.93376 0.36953 ________________________________________________________________________ Create NaCl : 1489095. / 4065544. = 0.36627 Destroy NaCl : 1489076. / 4066150. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.1604711 Potential at right wall /kT = -1.1715019 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9991518 Potential at right wall /mV = -30.2843072 ________________________________________________________________________ Capacitance of left DL = 0.0534332066 Capacitance of right DL = 0.0529300825 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33342758 Capacitance of right DL [F/m2] = 3.30204021 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11434648 Adsorption of ion 1 on right wall = -3.95838784 Adsorption of ion 2 on left wall = -3.89176014 Adsorption of ion 2 on right wall = 5.13116926 ------------------------------------------------------------------------ net charge in left DL = -9.00610662 10.1959053 net charge in right DL = 9.0895571 -10.1959053 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.501607883 Relative adsorption of ion 1 on right wall = -0.388233092 Relative adsorption of ion 2 on left wall = -0.381698341 Relative adsorption of ion 2 on right wall = 0.503257838 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1360------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00799994991 Right electrode charge = -0.00799994991 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99963 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00786777491 Average electrode charge 2 = -0.00786777491 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339464 -0.510841 -0.509669 ________________________________________________________________________ Electrode charge exchange: 0.078101491 Move Jump Cl: 0.93389 0.37006 Na: 0.93376 0.36952 ________________________________________________________________________ Create NaCl : 1494630. / 4080554. = 0.36628 Destroy NaCl : 1494632. / 4081091. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15896491 Potential at right wall /kT = -1.16989994 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9602156 Potential at right wall /mV = -30.2428954 ________________________________________________________________________ Capacitance of left DL = 0.0480626412 Capacitance of right DL = 0.0476134006 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3377597 Capacitance of right DL [F/m2] = 3.30656172 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12005275 Adsorption of ion 1 on right wall = -3.96165938 Adsorption of ion 2 on left wall = -3.88387363 Adsorption of ion 2 on right wall = 5.127376 ------------------------------------------------------------------------ net charge in left DL = -9.00392638 9.15921275 net charge in right DL = 9.08903538 -9.15921275 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.559005767 Relative adsorption of ion 1 on right wall = -0.432532739 Relative adsorption of ion 2 on left wall = -0.424040115 Relative adsorption of ion 2 on right wall = 0.559805318 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1365------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00845052297 Right electrode charge = -0.00845052297 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99922 ________________________________________________________________________ Average electrode charge 1 = 0.00786549898 Average electrode charge 2 = -0.00786549898 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339497 -0.510841 -0.509702 ________________________________________________________________________ Electrode charge exchange: 0.0780817488 Move Jump Cl: 0.93388 0.37004 Na: 0.93377 0.36953 ________________________________________________________________________ Create NaCl : 1500111. / 4095488. = 0.36628 Destroy NaCl : 1500111. / 4096156. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.15477762 Potential at right wall /kT = -1.16579449 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8519706 Potential at right wall /mV = -30.1367658 ________________________________________________________________________ Capacitance of left DL = 0.0509537181 Capacitance of right DL = 0.0504722007 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34986261 Capacitance of right DL [F/m2] = 3.31820609 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11787977 Adsorption of ion 1 on right wall = -3.95914392 Adsorption of ion 2 on left wall = -3.88196832 Adsorption of ion 2 on right wall = 5.12389212 ------------------------------------------------------------------------ net charge in left DL = -8.99984809 9.67507779 net charge in right DL = 9.08303603 -9.67507779 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.528975568 Relative adsorption of ion 1 on right wall = -0.409210551 Relative adsorption of ion 2 on left wall = -0.40123381 Relative adsorption of ion 2 on right wall = 0.529596994 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1370------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00819450851 Right electrode charge = -0.00819450851 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00786697865 Average electrode charge 2 = -0.00786697865 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339485 -0.510841 -0.509689 ________________________________________________________________________ Electrode charge exchange: 0.0780796514 Move Jump Cl: 0.93388 0.37003 Na: 0.93375 0.36952 ________________________________________________________________________ Create NaCl : 1505617. / 4110695. = 0.36627 Destroy NaCl : 1505616. / 4111086. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15620677 Potential at right wall /kT = -1.16711688 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8889154 Potential at right wall /mV = -30.1709508 ________________________________________________________________________ Capacitance of left DL = 0.0493489656 Capacitance of right DL = 0.0488876558 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34572194 Capacitance of right DL [F/m2] = 3.31444642 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12247561 Adsorption of ion 1 on right wall = -3.95802476 Adsorption of ion 2 on left wall = -3.87837858 Adsorption of ion 2 on right wall = 5.12907446 ------------------------------------------------------------------------ net charge in left DL = -9.00085419 9.38196459 net charge in right DL = 9.08709922 -9.38196459 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.545991786 Relative adsorption of ion 1 on right wall = -0.4218759 Relative adsorption of ion 2 on left wall = -0.413386615 Relative adsorption of ion 2 on right wall = 0.546695142 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1375------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00777572295 Right electrode charge = -0.00777572295 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00786779229 Average electrode charge 2 = -0.00786779229 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339482 -0.510841 -0.509686 ________________________________________________________________________ Electrode charge exchange: 0.0780757615 Move Jump Cl: 0.93386 0.37001 Na: 0.93376 0.36951 ________________________________________________________________________ Create NaCl : 1511127. / 4125724. = 0.36627 Destroy NaCl : 1511134. / 4126126. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15665494 Potential at right wall /kT = -1.16709803 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9005009 Potential at right wall /mV = -30.1704636 ________________________________________________________________________ Capacitance of left DL = 0.0468088114 Capacitance of right DL = 0.0463899702 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34442558 Capacitance of right DL [F/m2] = 3.31449995 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12471551 Adsorption of ion 1 on right wall = -3.95763928 Adsorption of ion 2 on left wall = -3.877426 Adsorption of ion 2 on right wall = 5.13022212 ------------------------------------------------------------------------ net charge in left DL = -9.00214151 8.90249334 net charge in right DL = 9.0878614 -8.90249334 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.575649463 Relative adsorption of ion 1 on right wall = -0.444554029 Relative adsorption of ion 2 on left wall = -0.435543825 Relative adsorption of ion 2 on right wall = 0.57626801 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1380------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00861762336 Right electrode charge = -0.00861762336 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99918 ________________________________________________________________________ Average electrode charge 1 = 0.00786620129 Average electrode charge 2 = -0.00786620129 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339429 -0.510841 -0.509634 ________________________________________________________________________ Electrode charge exchange: 0.078076172 Move Jump Cl: 0.93385 0.37004 Na: 0.93377 0.36951 ________________________________________________________________________ Create NaCl : 1516622. / 4140698. = 0.36627 Destroy NaCl : 1516630. / 4141150. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15490957 Potential at right wall /kT = -1.16524638 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8553817 Potential at right wall /mV = -30.1225969 ________________________________________________________________________ Capacitance of left DL = 0.0519553387 Capacitance of right DL = 0.0514944469 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34947987 Capacitance of right DL [F/m2] = 3.3197669 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12139767 Adsorption of ion 1 on right wall = -3.95804894 Adsorption of ion 2 on left wall = -3.8783869 Adsorption of ion 2 on right wall = 5.12679897 ------------------------------------------------------------------------ net charge in left DL = -8.99978457 9.86639249 net charge in right DL = 9.08484792 -9.86639249 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519074999 Relative adsorption of ion 1 on right wall = -0.401164757 Relative adsorption of ion 2 on left wall = -0.393090676 Relative adsorption of ion 2 on right wall = 0.519622444 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1385------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00663996236 Right electrode charge = -0.00663996236 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00787176776 Average electrode charge 2 = -0.00787176776 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339640 -0.510841 -0.509844 ________________________________________________________________________ Electrode charge exchange: 0.0780878765 Move Jump Cl: 0.93386 0.37001 Na: 0.93377 0.36950 ________________________________________________________________________ Create NaCl : 1522023. / 4155833. = 0.36624 Destroy NaCl : 1522029. / 4156007. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.15173018 Potential at right wall /kT = -1.16193016 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7731917 Potential at right wall /mV = -30.0368697 ________________________________________________________________________ Capacitance of left DL = 0.0401426023 Capacitance of right DL = 0.0397902113 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35872623 Capacitance of right DL [F/m2] = 3.32924172 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12449259 Adsorption of ion 1 on right wall = -3.96328671 Adsorption of ion 2 on left wall = -3.87504918 Adsorption of ion 2 on right wall = 5.12975623 ------------------------------------------------------------------------ net charge in left DL = -8.99954178 7.60215108 net charge in right DL = 9.09304294 -7.60215108 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.67408455 Relative adsorption of ion 1 on right wall = -0.521337535 Relative adsorption of ion 2 on left wall = -0.50973062 Relative adsorption of ion 2 on right wall = 0.674776938 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1390------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00843091784 Right electrode charge = -0.00843091784 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 208 -1.00 3.0000 1.5000 Na ion: 208 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99982 Bulk concentration of Na = 0.99936 ________________________________________________________________________ Average electrode charge 1 = 0.0078733782 Average electrode charge 2 = -0.0078733782 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339812 -0.510841 -0.510016 ________________________________________________________________________ Electrode charge exchange: 0.0780824843 Move Jump Cl: 0.93385 0.36998 Na: 0.93376 0.36948 ________________________________________________________________________ Create NaCl : 1527487. / 4170857. = 0.36623 Destroy NaCl : 1527479. / 4170902. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.15284085 Potential at right wall /kT = -1.16315832 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8019034 Potential at right wall /mV = -30.0686187 ________________________________________________________________________ Capacitance of left DL = 0.0509209097 Capacitance of right DL = 0.0504692298 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35549038 Capacitance of right DL [F/m2] = 3.32572643 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12767817 Adsorption of ion 1 on right wall = -3.96700529 Adsorption of ion 2 on left wall = -3.87637438 Adsorption of ion 2 on right wall = 5.12665715 ------------------------------------------------------------------------ net charge in left DL = -9.00405255 9.6526317 net charge in right DL = 9.09366244 -9.6526317 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.531220741 Relative adsorption of ion 1 on right wall = -0.410976551 Relative adsorption of ion 2 on left wall = -0.401587308 Relative adsorption of ion 2 on right wall = 0.531114965 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1395------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00607370369 Right electrode charge = -0.00607370369 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99982 Bulk concentration of Na = 0.99936 ________________________________________________________________________ Average electrode charge 1 = 0.00787280113 Average electrode charge 2 = -0.00787280113 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339818 -0.510841 -0.510022 ________________________________________________________________________ Electrode charge exchange: 0.0780769332 Move Jump Cl: 0.93384 0.36997 Na: 0.93374 0.36948 ________________________________________________________________________ Create NaCl : 1533004. / 4185875. = 0.36623 Destroy NaCl : 1533026. / 4185781. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15310008 Potential at right wall /kT = -1.16347773 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8086048 Potential at right wall /mV = -30.0768757 ________________________________________________________________________ Capacitance of left DL = 0.0366756019 Capacitance of right DL = 0.0363484737 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35473601 Capacitance of right DL [F/m2] = 3.32481342 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12324648 Adsorption of ion 1 on right wall = -3.96445399 Adsorption of ion 2 on left wall = -3.88099788 Adsorption of ion 2 on right wall = 5.12800212 ------------------------------------------------------------------------ net charge in left DL = -9.00424436 6.95383657 net charge in right DL = 9.09245612 -6.95383657 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.736751063 Relative adsorption of ion 1 on right wall = -0.57011032 Relative adsorption of ion 2 on left wall = -0.558108871 Relative adsorption of ion 2 on right wall = 0.73743495 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1400------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00952624282 Right electrode charge = -0.00952624282 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99981 Bulk concentration of Na = 0.99934 ________________________________________________________________________ Average electrode charge 1 = 0.0078715076 Average electrode charge 2 = -0.0078715076 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339778 -0.510841 -0.509983 ________________________________________________________________________ Electrode charge exchange: 0.0780811216 Move Jump Cl: 0.93386 0.36996 Na: 0.93373 0.36948 ________________________________________________________________________ Create NaCl : 1538427. / 4200701. = 0.36623 Destroy NaCl : 1538436. / 4200857. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.15081103 Potential at right wall /kT = -1.16129909 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7494308 Potential at right wall /mV = -30.020556 ________________________________________________________________________ Capacitance of left DL = 0.0576379181 Capacitance of right DL = 0.0571173717 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36140885 Capacitance of right DL [F/m2] = 3.3310509 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11567591 Adsorption of ion 1 on right wall = -3.96254403 Adsorption of ion 2 on left wall = -3.88427875 Adsorption of ion 2 on right wall = 5.12851428 ------------------------------------------------------------------------ net charge in left DL = -8.99995467 10.9066789 net charge in right DL = 9.09105831 -10.9066789 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.469040665 Relative adsorption of ion 1 on right wall = -0.363313533 Relative adsorption of ion 2 on left wall = -0.356137629 Relative adsorption of ion 2 on right wall = 0.470217776 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1405------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0072700211 Right electrode charge = -0.0072700211 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99983 Bulk concentration of Na = 0.99939 ________________________________________________________________________ Average electrode charge 1 = 0.0078730527 Average electrode charge 2 = -0.0078730527 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339853 -0.510841 -0.510058 ________________________________________________________________________ Electrode charge exchange: 0.0780843045 Move Jump Cl: 0.93386 0.36995 Na: 0.93375 0.36948 ________________________________________________________________________ Create NaCl : 1543887. / 4215482. = 0.36624 Destroy NaCl : 1543887. / 4215976. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15437001 Potential at right wall /kT = -1.16483096 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8414336 Potential at right wall /mV = -30.1118579 ________________________________________________________________________ Capacitance of left DL = 0.0438511803 Capacitance of right DL = 0.0434573678 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35104544 Capacitance of right DL [F/m2] = 3.32095085 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11995046 Adsorption of ion 1 on right wall = -3.95891876 Adsorption of ion 2 on left wall = -3.88711233 Adsorption of ion 2 on right wall = 5.13275938 ------------------------------------------------------------------------ net charge in left DL = -9.00706278 8.32351086 net charge in right DL = 9.09167814 -8.32351086 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.615119094 Relative adsorption of ion 1 on right wall = -0.475630876 Relative adsorption of ion 2 on left wall = -0.467003935 Relative adsorption of ion 2 on right wall = 0.616657979 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1410------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00686720513 Right electrode charge = -0.00686720513 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99987 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.00787389305 Average electrode charge 2 = -0.00787389305 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339942 -0.510841 -0.510147 ________________________________________________________________________ Electrode charge exchange: 0.0780764165 Move Jump Cl: 0.93386 0.36994 Na: 0.93374 0.36950 ________________________________________________________________________ Create NaCl : 1549475. / 4230608. = 0.36625 Destroy NaCl : 1549497. / 4230892. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15208771 Potential at right wall /kT = -1.1628921 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7824341 Potential at right wall /mV = -30.0617367 ________________________________________________________________________ Capacitance of left DL = 0.0415035389 Capacitance of right DL = 0.041117931 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35768392 Capacitance of right DL [F/m2] = 3.32648779 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1238291 Adsorption of ion 1 on right wall = -3.95524596 Adsorption of ion 2 on left wall = -3.88368552 Adsorption of ion 2 on right wall = 5.13518458 ------------------------------------------------------------------------ net charge in left DL = -9.00751462 7.86232333 net charge in right DL = 9.09043053 -7.86232333 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.651694021 Relative adsorption of ion 1 on right wall = -0.503063254 Relative adsorption of ion 2 on left wall = -0.493961563 Relative adsorption of ion 2 on right wall = 0.653138311 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1415------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00730303293 Right electrode charge = -0.00730303293 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99989 Bulk concentration of Na = 0.99945 ________________________________________________________________________ Average electrode charge 1 = 0.0078719453 Average electrode charge 2 = -0.0078719453 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339977 -0.510841 -0.510182 ________________________________________________________________________ Electrode charge exchange: 0.0780811598 Move Jump Cl: 0.93387 0.36992 Na: 0.93371 0.36950 ________________________________________________________________________ Create NaCl : 1554991. / 4245652. = 0.36625 Destroy NaCl : 1555009. / 4245891. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15100184 Potential at right wall /kT = -1.16173812 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7543634 Potential at right wall /mV = -30.0319054 ________________________________________________________________________ Capacitance of left DL = 0.0441792048 Capacitance of right DL = 0.0437709196 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36085161 Capacitance of right DL [F/m2] = 3.32979206 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1155166 Adsorption of ion 1 on right wall = -3.94878599 Adsorption of ion 2 on left wall = -3.88826157 Adsorption of ion 2 on right wall = 5.13984432 ------------------------------------------------------------------------ net charge in left DL = -9.00377817 8.36130639 net charge in right DL = 9.08863031 -8.36130639 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.611808295 Relative adsorption of ion 1 on right wall = -0.472269022 Relative adsorption of ion 2 on left wall = -0.46503039 Relative adsorption of ion 2 on right wall = 0.614717854 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1420------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00713344375 Right electrode charge = -0.00713344375 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99992 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.00787377852 Average electrode charge 2 = -0.00787377852 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339996 -0.510841 -0.510200 ________________________________________________________________________ Electrode charge exchange: 0.0780745081 Move Jump Cl: 0.93388 0.36991 Na: 0.93369 0.36950 ________________________________________________________________________ Create NaCl : 1560495. / 4260792. = 0.36625 Destroy NaCl : 1560513. / 4260664. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15506755 Potential at right wall /kT = -1.16561341 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8594655 Potential at right wall /mV = -30.1320849 ________________________________________________________________________ Capacitance of left DL = 0.0430013916 Capacitance of right DL = 0.0426123375 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34902177 Capacitance of right DL [F/m2] = 3.31872157 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11763717 Adsorption of ion 1 on right wall = -3.94843185 Adsorption of ion 2 on left wall = -3.88711107 Adsorption of ion 2 on right wall = 5.14833165 ------------------------------------------------------------------------ net charge in left DL = -9.00474824 8.16714225 net charge in right DL = 9.0967635 -8.16714225 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.626612959 Relative adsorption of ion 1 on right wall = -0.483453297 Relative adsorption of ion 2 on left wall = -0.475945068 Relative adsorption of ion 2 on right wall = 0.630371248 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1425------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00577725987 Right electrode charge = -0.00577725987 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99990 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.00787493265 Average electrode charge 2 = -0.00787493265 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339971 -0.510841 -0.510176 ________________________________________________________________________ Electrode charge exchange: 0.0780744644 Move Jump Cl: 0.93386 0.36991 Na: 0.93370 0.36949 ________________________________________________________________________ Create NaCl : 1565999. / 4275865. = 0.36624 Destroy NaCl : 1566007. / 4275694. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15431683 Potential at right wall /kT = -1.16506939 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8400588 Potential at right wall /mV = -30.1180216 ________________________________________________________________________ Capacitance of left DL = 0.0348487759 Capacitance of right DL = 0.0345271524 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35119983 Capacitance of right DL [F/m2] = 3.32027121 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11265936 Adsorption of ion 1 on right wall = -3.94405082 Adsorption of ion 2 on left wall = -3.89387156 Adsorption of ion 2 on right wall = 5.15281628 ------------------------------------------------------------------------ net charge in left DL = -9.00653092 6.61443544 net charge in right DL = 9.09686709 -6.61443544 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.77295476 Relative adsorption of ion 1 on right wall = -0.596279282 Relative adsorption of ion 2 on left wall = -0.588692957 Relative adsorption of ion 2 on right wall = 0.779025863 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1430------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00712725057 Right electrode charge = -0.00712725057 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99989 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.00787557125 Average electrode charge 2 = -0.00787557125 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339972 -0.510841 -0.510177 ________________________________________________________________________ Electrode charge exchange: 0.0780510853 Move Jump Cl: 0.93388 0.36988 Na: 0.93370 0.36947 ________________________________________________________________________ Create NaCl : 1571418. / 4290980. = 0.36621 Destroy NaCl : 1571425. / 4290669. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15377817 Potential at right wall /kT = -1.16481213 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8261339 Potential at right wall /mV = -30.111371 ________________________________________________________________________ Capacitance of left DL = 0.0430120719 Capacitance of right DL = 0.0426046299 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3527644 Capacitance of right DL [F/m2] = 3.32100455 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.11741163 Adsorption of ion 1 on right wall = -3.94338627 Adsorption of ion 2 on left wall = -3.89090734 Adsorption of ion 2 on right wall = 5.15252611 ------------------------------------------------------------------------ net charge in left DL = -9.00831897 8.16005163 net charge in right DL = 9.09591238 -8.16005163 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.62712981 Relative adsorption of ion 1 on right wall = -0.483255064 Relative adsorption of ion 2 on left wall = -0.476823863 Relative adsorption of ion 2 on right wall = 0.631433028 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1435------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00633260837 Right electrode charge = -0.00633260837 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99992 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.00787645977 Average electrode charge 2 = -0.00787645977 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339993 -0.510841 -0.510198 ________________________________________________________________________ Electrode charge exchange: 0.0780465263 Move Jump Cl: 0.93389 0.36987 Na: 0.93369 0.36944 ________________________________________________________________________ Create NaCl : 1576839. / 4306048. = 0.36619 Destroy NaCl : 1576851. / 4305606. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15291597 Potential at right wall /kT = -1.16326027 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8038453 Potential at right wall /mV = -30.0712542 ________________________________________________________________________ Capacitance of left DL = 0.0382450848 Capacitance of right DL = 0.0379049901 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35527174 Capacitance of right DL [F/m2] = 3.32543496 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12120554 Adsorption of ion 1 on right wall = -3.93666589 Adsorption of ion 2 on left wall = -3.88495316 Adsorption of ion 2 on right wall = 5.16189876 ------------------------------------------------------------------------ net charge in left DL = -9.0061587 7.25025881 net charge in right DL = 9.09856465 -7.25025881 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.706347962 Relative adsorption of ion 1 on right wall = -0.542969016 Relative adsorption of ion 2 on left wall = -0.53583648 Relative adsorption of ion 2 on right wall = 0.71196062 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1440------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0105424974 Right electrode charge = -0.0105424974 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 219 -1.00 3.0000 1.5000 Na ion: 219 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99994 Bulk concentration of Na = 0.99944 ________________________________________________________________________ Average electrode charge 1 = 0.0078811285 Average electrode charge 2 = -0.0078811285 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340014 -0.510841 -0.510218 ________________________________________________________________________ Electrode charge exchange: 0.0780509188 Move Jump Cl: 0.93389 0.36987 Na: 0.93369 0.36943 ________________________________________________________________________ Create NaCl : 1582314. / 4321211. = 0.36617 Destroy NaCl : 1582295. / 4320399. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15100383 Potential at right wall /kT = -1.16146579 ------------------------------------------------------------------------ Potential at left wall /mV = 29.754415 Potential at right wall /mV = -30.0248655 ________________________________________________________________________ Capacitance of left DL = 0.0637760157 Capacitance of right DL = 0.06320155 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36084578 Capacitance of right DL [F/m2] = 3.33057279 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12979855 Adsorption of ion 1 on right wall = -3.93970689 Adsorption of ion 2 on left wall = -3.87724302 Adsorption of ion 2 on right wall = 5.16570501 ------------------------------------------------------------------------ net charge in left DL = -9.00704157 12.0701976 net charge in right DL = 9.1054119 -12.0701976 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.424997065 Relative adsorption of ion 1 on right wall = -0.326399536 Relative adsorption of ion 2 on left wall = -0.321224486 Relative adsorption of ion 2 on right wall = 0.427971868 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1445------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.011321883 Right electrode charge = -0.011321883 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99986 Bulk concentration of Na = 0.99934 ________________________________________________________________________ Average electrode charge 1 = 0.00788237552 Average electrode charge 2 = -0.00788237552 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339837 -0.510841 -0.510041 ________________________________________________________________________ Electrode charge exchange: 0.0780516584 Move Jump Cl: 0.93389 0.36988 Na: 0.93369 0.36943 ________________________________________________________________________ Create NaCl : 1587871. / 4336091. = 0.36620 Destroy NaCl : 1587880. / 4335593. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.14992374 Potential at right wall /kT = -1.16044561 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7264938 Potential at right wall /mV = -29.9984929 ________________________________________________________________________ Capacitance of left DL = 0.06855518 Capacitance of right DL = 0.0679335838 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36400252 Capacitance of right DL [F/m2] = 3.3335008 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13600101 Adsorption of ion 1 on right wall = -3.94081663 Adsorption of ion 2 on left wall = -3.86994723 Adsorption of ion 2 on right wall = 5.16695289 ------------------------------------------------------------------------ net charge in left DL = -9.00594824 12.9625231 net charge in right DL = 9.10776952 -12.9625231 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.396219237 Relative adsorption of ion 1 on right wall = -0.304016171 Relative adsorption of ion 2 on left wall = -0.298548917 Relative adsorption of ion 2 on right wall = 0.398607034 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1450------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00525850878 Right electrode charge = -0.00525850878 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99985 Bulk concentration of Na = 0.99933 ________________________________________________________________________ Average electrode charge 1 = 0.00788356134 Average electrode charge 2 = -0.00788356134 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339816 -0.510841 -0.510020 ________________________________________________________________________ Electrode charge exchange: 0.0780413715 Move Jump Cl: 0.93389 0.36990 Na: 0.93370 0.36944 ________________________________________________________________________ Create NaCl : 1593405. / 4351038. = 0.36621 Destroy NaCl : 1593409. / 4350484. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15044515 Potential at right wall /kT = -1.16077481 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7399726 Potential at right wall /mV = -30.007003 ________________________________________________________________________ Capacitance of left DL = 0.0318263869 Capacitance of right DL = 0.0315431659 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36247788 Capacitance of right DL [F/m2] = 3.3325554 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14042961 Adsorption of ion 1 on right wall = -3.94111338 Adsorption of ion 2 on left wall = -3.86800776 Adsorption of ion 2 on right wall = 5.16730201 ------------------------------------------------------------------------ net charge in left DL = -9.00843737 6.02051278 net charge in right DL = 9.10841538 -6.02051278 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.853819235 Relative adsorption of ion 1 on right wall = -0.654614237 Relative adsorption of ion 2 on left wall = -0.642471481 Relative adsorption of ion 2 on right wall = 0.858282708 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1455------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102653278 Right electrode charge = -0.0102653278 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 177 -1.00 3.0000 1.5000 Na ion: 177 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99989 Bulk concentration of Na = 0.99939 ________________________________________________________________________ Average electrode charge 1 = 0.00788322549 Average electrode charge 2 = -0.00788322549 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339910 -0.510841 -0.510114 ________________________________________________________________________ Electrode charge exchange: 0.078038188 Move Jump Cl: 0.93387 0.36988 Na: 0.93369 0.36942 ________________________________________________________________________ Create NaCl : 1598828. / 4366119. = 0.36619 Destroy NaCl : 1598851. / 4365267. = 0.36627 ________________________________________________________________________ Potential at left wall /kT = 1.15037187 Potential at right wall /kT = -1.16033729 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7380783 Potential at right wall /mV = -29.9956928 ________________________________________________________________________ Capacitance of left DL = 0.0621334145 Capacitance of right DL = 0.061599789 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36269206 Capacitance of right DL [F/m2] = 3.33381198 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14379934 Adsorption of ion 1 on right wall = -3.93657397 Adsorption of ion 2 on left wall = -3.86517434 Adsorption of ion 2 on right wall = 5.17030298 ------------------------------------------------------------------------ net charge in left DL = -9.00897367 11.7528638 net charge in right DL = 9.10687696 -11.7528638 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.437663487 Relative adsorption of ion 1 on right wall = -0.334945938 Relative adsorption of ion 2 on left wall = -0.328870854 Relative adsorption of ion 2 on right wall = 0.439918567 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1460------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00652254723 Right electrode charge = -0.00652254723 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99994 Bulk concentration of Na = 0.99942 ________________________________________________________________________ Average electrode charge 1 = 0.00788170162 Average electrode charge 2 = -0.00788170162 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.340000 -0.510841 -0.510205 ________________________________________________________________________ Electrode charge exchange: 0.0780469473 Move Jump Cl: 0.93389 0.36988 Na: 0.93371 0.36942 ________________________________________________________________________ Create NaCl : 1604319. / 4381180. = 0.36618 Destroy NaCl : 1604320. / 4380247. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15284004 Potential at right wall /kT = -1.16208615 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8018825 Potential at right wall /mV = -30.0409022 ________________________________________________________________________ Capacitance of left DL = 0.039394794 Capacitance of right DL = 0.0390813503 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35549273 Capacitance of right DL [F/m2] = 3.32879484 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14416653 Adsorption of ion 1 on right wall = -3.94191966 Adsorption of ion 2 on left wall = -3.86248914 Adsorption of ion 2 on right wall = 5.16672662 ------------------------------------------------------------------------ net charge in left DL = -9.00665566 7.46772147 net charge in right DL = 9.10864628 -7.46772147 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.688853561 Relative adsorption of ion 1 on right wall = -0.527861099 Relative adsorption of ion 2 on left wall = -0.517224585 Relative adsorption of ion 2 on right wall = 0.691874575 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1465------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00458077593 Right electrode charge = -0.00458077593 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99989 Bulk concentration of Na = 0.99936 ________________________________________________________________________ Average electrode charge 1 = 0.00788060024 Average electrode charge 2 = -0.00788060024 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339891 -0.510841 -0.510095 ________________________________________________________________________ Electrode charge exchange: 0.0780405178 Move Jump Cl: 0.93389 0.36987 Na: 0.93370 0.36943 ________________________________________________________________________ Create NaCl : 1609841. / 4396146. = 0.36619 Destroy NaCl : 1609847. / 4395179. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.15368803 Potential at right wall /kT = -1.16305159 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8238039 Potential at right wall /mV = -30.0658597 ________________________________________________________________________ Capacitance of left DL = 0.0276465735 Capacitance of right DL = 0.027423995 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35302634 Capacitance of right DL [F/m2] = 3.32603162 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15092945 Adsorption of ion 1 on right wall = -3.94378261 Adsorption of ion 2 on left wall = -3.85430753 Adsorption of ion 2 on right wall = 5.1652944 ------------------------------------------------------------------------ net charge in left DL = -9.00523698 5.2445705 net charge in right DL = 9.10907701 -5.2445705 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.982145144 Relative adsorption of ion 1 on right wall = -0.751974372 Relative adsorption of ion 2 on left wall = -0.734913857 Relative adsorption of ion 2 on right wall = 0.984884158 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1470------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0090551154 Right electrode charge = -0.0090551154 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99987 Bulk concentration of Na = 0.99932 ________________________________________________________________________ Average electrode charge 1 = 0.00788233713 Average electrode charge 2 = -0.00788233713 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339833 -0.510841 -0.510038 ________________________________________________________________________ Electrode charge exchange: 0.0780407204 Move Jump Cl: 0.93391 0.36987 Na: 0.93368 0.36943 ________________________________________________________________________ Create NaCl : 1615314. / 4411100. = 0.36619 Destroy NaCl : 1615329. / 4410283. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15353532 Potential at right wall /kT = -1.16314777 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8198561 Potential at right wall /mV = -30.068346 ________________________________________________________________________ Capacitance of left DL = 0.054658001 Capacitance of right DL = 0.054206298 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35347024 Capacitance of right DL [F/m2] = 3.32575659 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15876008 Adsorption of ion 1 on right wall = -3.94088964 Adsorption of ion 2 on left wall = -3.84653621 Adsorption of ion 2 on right wall = 5.17187553 ------------------------------------------------------------------------ net charge in left DL = -9.00529629 10.367281 net charge in right DL = 9.11276516 -10.367281 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.497600104 Relative adsorption of ion 1 on right wall = -0.380127601 Relative adsorption of ion 2 on left wall = -0.371026523 Relative adsorption of ion 2 on right wall = 0.498865184 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1475------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00357926264 Right electrode charge = -0.00357926264 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99984 Bulk concentration of Na = 0.99927 ________________________________________________________________________ Average electrode charge 1 = 0.00787958643 Average electrode charge 2 = -0.00787958643 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339740 -0.510841 -0.509945 ________________________________________________________________________ Electrode charge exchange: 0.0780459301 Move Jump Cl: 0.93392 0.36987 Na: 0.93370 0.36940 ________________________________________________________________________ Create NaCl : 1620779. / 4425952. = 0.36620 Destroy NaCl : 1620786. / 4425278. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15400285 Potential at right wall /kT = -1.16359308 ------------------------------------------------------------------------ Potential at left wall /mV = 29.831942 Potential at right wall /mV = -30.0798576 ________________________________________________________________________ Capacitance of left DL = 0.0215962 Capacitance of right DL = 0.0214182059 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35211164 Capacitance of right DL [F/m2] = 3.32448382 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15902045 Adsorption of ion 1 on right wall = -3.93671429 Adsorption of ion 2 on left wall = -3.84226003 Adsorption of ion 2 on right wall = 5.17487246 ------------------------------------------------------------------------ net charge in left DL = -9.00128048 4.09792916 net charge in right DL = 9.11158675 -4.09792916 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.25893354 Relative adsorption of ion 1 on right wall = -0.960659431 Relative adsorption of ion 2 on left wall = -0.937610164 Relative adsorption of ion 2 on right wall = 1.26280184 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1480------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00654687285 Right electrode charge = -0.00654687285 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99983 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00787820686 Average electrode charge 2 = -0.00787820686 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339727 -0.510841 -0.509931 ________________________________________________________________________ Electrode charge exchange: 0.0780377798 Move Jump Cl: 0.93393 0.36987 Na: 0.93370 0.36942 ________________________________________________________________________ Create NaCl : 1626220. / 4441066. = 0.36618 Destroy NaCl : 1626233. / 4440330. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15381051 Potential at right wall /kT = -1.16324218 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8269698 Potential at right wall /mV = -30.0707866 ________________________________________________________________________ Capacitance of left DL = 0.0395084571 Capacitance of right DL = 0.0391881189 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35267044 Capacitance of right DL [F/m2] = 3.32548667 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16011996 Adsorption of ion 1 on right wall = -3.93170521 Adsorption of ion 2 on left wall = -3.83878543 Adsorption of ion 2 on right wall = 5.17893276 ------------------------------------------------------------------------ net charge in left DL = -8.99890539 7.49557209 net charge in right DL = 9.11063797 -7.49557209 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.688422431 Relative adsorption of ion 1 on right wall = -0.524537042 Relative adsorption of ion 2 on left wall = -0.512140419 Relative adsorption of ion 2 on right wall = 0.690932286 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1485------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0106698872 Right electrode charge = -0.0106698872 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99980 Bulk concentration of Na = 0.99921 ________________________________________________________________________ Average electrode charge 1 = 0.0078784343 Average electrode charge 2 = -0.0078784343 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339641 -0.510841 -0.509845 ________________________________________________________________________ Electrode charge exchange: 0.0780350985 Move Jump Cl: 0.93393 0.36986 Na: 0.93372 0.36942 ________________________________________________________________________ Create NaCl : 1631613. / 4455862. = 0.36617 Destroy NaCl : 1631601. / 4455301. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.15497575 Potential at right wall /kT = -1.1648978 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8570924 Potential at right wall /mV = -30.1135857 ________________________________________________________________________ Capacitance of left DL = 0.0643246771 Capacitance of right DL = 0.0637767898 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34928796 Capacitance of right DL [F/m2] = 3.3207603 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16483025 Adsorption of ion 1 on right wall = -3.93026986 Adsorption of ion 2 on left wall = -3.83411519 Adsorption of ion 2 on right wall = 5.18258043 ------------------------------------------------------------------------ net charge in left DL = -8.99894544 12.2160473 net charge in right DL = 9.11285029 -12.2160473 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.422790622 Relative adsorption of ion 1 on right wall = -0.321730078 Relative adsorption of ion 2 on left wall = -0.313858901 Relative adsorption of ion 2 on right wall = 0.424243644 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1490------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0060579672 Right electrode charge = -0.0060579672 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99975 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00788153946 Average electrode charge 2 = -0.00788153946 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339588 -0.510841 -0.509792 ________________________________________________________________________ Electrode charge exchange: 0.0780311836 Move Jump Cl: 0.93393 0.36983 Na: 0.93373 0.36945 ________________________________________________________________________ Create NaCl : 1637041. / 4470772. = 0.36617 Destroy NaCl : 1637057. / 4470442. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15376382 Potential at right wall /kT = -1.16399604 ------------------------------------------------------------------------ Potential at left wall /mV = 29.825763 Potential at right wall /mV = -30.0902743 ________________________________________________________________________ Capacitance of left DL = 0.0365595343 Capacitance of right DL = 0.0362381542 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3528061 Capacitance of right DL [F/m2] = 3.32333294 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.17209556 Adsorption of ion 1 on right wall = -3.9277182 Adsorption of ion 2 on left wall = -3.83233342 Adsorption of ion 2 on right wall = 5.18507989 ------------------------------------------------------------------------ net charge in left DL = -9.00442898 6.93581973 net charge in right DL = 9.11279809 -6.93581973 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.7457079 Relative adsorption of ion 1 on right wall = -0.566294735 Relative adsorption of ion 2 on left wall = -0.552542247 Relative adsorption of ion 2 on right wall = 0.747579969 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1495------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00800016091 Right electrode charge = -0.00800016091 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 188 -1.00 3.0000 1.5000 Na ion: 188 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99977 Bulk concentration of Na = 0.99919 ________________________________________________________________________ Average electrode charge 1 = 0.00788034675 Average electrode charge 2 = -0.00788034675 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339598 -0.510841 -0.509802 ________________________________________________________________________ Electrode charge exchange: 0.0780284402 Move Jump Cl: 0.93392 0.36983 Na: 0.93373 0.36944 ________________________________________________________________________ Create NaCl : 1642449. / 4485657. = 0.36616 Destroy NaCl : 1642461. / 4485518. = 0.36617 ________________________________________________________________________ Potential at left wall /kT = 1.15080675 Potential at right wall /kT = -1.16090152 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7493203 Potential at right wall /mV = -30.0102786 ________________________________________________________________________ Capacitance of left DL = 0.0484046376 Capacitance of right DL = 0.0479837288 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36142133 Capacitance of right DL [F/m2] = 3.33219166 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16869932 Adsorption of ion 1 on right wall = -3.92519639 Adsorption of ion 2 on left wall = -3.83055066 Adsorption of ion 2 on right wall = 5.18634918 ------------------------------------------------------------------------ net charge in left DL = -8.99924997 9.15945433 net charge in right DL = 9.11154557 -9.15945433 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.564302101 Relative adsorption of ion 1 on right wall = -0.428540419 Relative adsorption of ion 2 on left wall = -0.418207299 Relative adsorption of ion 2 on right wall = 0.566229056 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1500------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00419797624 Right electrode charge = -0.00419797624 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 177 -1.00 3.0000 1.5000 Na ion: 177 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00788085422 Average electrode charge 2 = -0.00788085422 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339490 -0.510841 -0.509694 ________________________________________________________________________ Electrode charge exchange: 0.0780436562 Move Jump Cl: 0.93392 0.36982 Na: 0.93373 0.36947 ________________________________________________________________________ Create NaCl : 1647933. / 4500681. = 0.36615 Destroy NaCl : 1647956. / 4500522. = 0.36617 ________________________________________________________________________ Potential at left wall /kT = 1.14616993 Potential at right wall /kT = -1.15611426 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6294545 Potential at right wall /mV = -29.8865238 ________________________________________________________________________ Capacitance of left DL = 0.0255024333 Capacitance of right DL = 0.0252830737 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37501995 Capacitance of right DL [F/m2] = 3.34598967 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.17005114 Adsorption of ion 1 on right wall = -3.92168236 Adsorption of ion 2 on left wall = -3.82417531 Adsorption of ion 2 on right wall = 5.19003175 ------------------------------------------------------------------------ net charge in left DL = -8.99422645 4.80629978 net charge in right DL = 9.11171411 -4.80629978 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.0756822 Relative adsorption of ion 1 on right wall = -0.815946266 Relative adsorption of ion 2 on left wall = -0.795658923 Relative adsorption of ion 2 on right wall = 1.07983938 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1505------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0111144785 Right electrode charge = -0.0111144785 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99970 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00787684053 Average electrode charge 2 = -0.00787684053 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339441 -0.510841 -0.509646 ________________________________________________________________________ Electrode charge exchange: 0.0780632947 Move Jump Cl: 0.93392 0.36981 Na: 0.93371 0.36943 ________________________________________________________________________ Create NaCl : 1653477. / 4515552. = 0.36617 Destroy NaCl : 1653474. / 4515759. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.14655611 Potential at right wall /kT = -1.15646939 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6394376 Potential at right wall /mV = -29.8957043 ________________________________________________________________________ Capacitance of left DL = 0.0674969937 Capacitance of right DL = 0.066918408 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37388318 Capacitance of right DL [F/m2] = 3.34496217 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16978887 Adsorption of ion 1 on right wall = -3.92355061 Adsorption of ion 2 on left wall = -3.82058837 Adsorption of ion 2 on right wall = 5.1838603 ------------------------------------------------------------------------ net charge in left DL = -8.99037724 12.7250638 net charge in right DL = 9.10741091 -12.7250638 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.406268207 Relative adsorption of ion 1 on right wall = -0.30833249 Relative adsorption of ion 2 on left wall = -0.300241195 Relative adsorption of ion 2 on right wall = 0.407374012 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1510------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0079350979 Right electrode charge = -0.0079350979 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99975 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00787805547 Average electrode charge 2 = -0.00787805547 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339544 -0.510841 -0.509748 ________________________________________________________________________ Electrode charge exchange: 0.0780611391 Move Jump Cl: 0.93393 0.36980 Na: 0.93370 0.36942 ________________________________________________________________________ Create NaCl : 1658914. / 4530667. = 0.36615 Destroy NaCl : 1658914. / 4530560. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.14578124 Potential at right wall /kT = -1.15579548 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6194065 Potential at right wall /mV = -29.878283 ________________________________________________________________________ Capacitance of left DL = 0.0482215577 Capacitance of right DL = 0.0478037484 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37616488 Capacitance of right DL [F/m2] = 3.34691254 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1690011 Adsorption of ion 1 on right wall = -3.92162633 Adsorption of ion 2 on left wall = -3.82361078 Adsorption of ion 2 on right wall = 5.18546113 ------------------------------------------------------------------------ net charge in left DL = -8.99261188 9.08496311 net charge in right DL = 9.10708746 -9.08496311 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.568962255 Relative adsorption of ion 1 on right wall = -0.431661228 Relative adsorption of ion 2 on left wall = -0.420872461 Relative adsorption of ion 2 on right wall = 0.570774044 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1515------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00925040493 Right electrode charge = -0.00925040493 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99970 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00787704549 Average electrode charge 2 = -0.00787704549 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339438 -0.510841 -0.509642 ________________________________________________________________________ Electrode charge exchange: 0.0780546481 Move Jump Cl: 0.93394 0.36983 Na: 0.93371 0.36944 ________________________________________________________________________ Create NaCl : 1664434. / 4545612. = 0.36616 Destroy NaCl : 1664438. / 4545624. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.1467333 Potential at right wall /kT = -1.15706598 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6440182 Potential at right wall /mV = -29.9111265 ________________________________________________________________________ Capacitance of left DL = 0.0561680016 Capacitance of right DL = 0.0556664177 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37336185 Capacitance of right DL [F/m2] = 3.34323751 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16570456 Adsorption of ion 1 on right wall = -3.91782371 Adsorption of ion 2 on left wall = -3.82565228 Adsorption of ion 2 on right wall = 5.1896585 ------------------------------------------------------------------------ net charge in left DL = -8.99135684 10.5908696 net charge in right DL = 9.10748222 -10.5908696 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.487750745 Relative adsorption of ion 1 on right wall = -0.369924647 Relative adsorption of ion 2 on left wall = -0.361221732 Relative adsorption of ion 2 on right wall = 0.490012499 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1520------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00961801442 Right electrode charge = -0.00961801442 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99904 ________________________________________________________________________ Average electrode charge 1 = 0.00787565864 Average electrode charge 2 = -0.00787565864 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339313 -0.510841 -0.509518 ________________________________________________________________________ Electrode charge exchange: 0.0780584805 Move Jump Cl: 0.93394 0.36983 Na: 0.93370 0.36943 ________________________________________________________________________ Create NaCl : 1669922. / 4560471. = 0.36617 Destroy NaCl : 1669917. / 4560800. = 0.36615 ________________________________________________________________________ Potential at left wall /kT = 1.14539372 Potential at right wall /kT = -1.1551884 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6093889 Potential at right wall /mV = -29.8625895 ________________________________________________________________________ Capacitance of left DL = 0.0584684092 Capacitance of right DL = 0.0579726641 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37730712 Capacitance of right DL [F/m2] = 3.34867142 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16850765 Adsorption of ion 1 on right wall = -3.91594328 Adsorption of ion 2 on left wall = -3.82020785 Adsorption of ion 2 on right wall = 5.18910712 ------------------------------------------------------------------------ net charge in left DL = -8.9887155 11.011749 net charge in right DL = 9.1050504 -11.011749 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.46936301 Relative adsorption of ion 1 on right wall = -0.355615015 Relative adsorption of ion 2 on left wall = -0.34692108 Relative adsorption of ion 2 on right wall = 0.471233691 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1525------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00625137746 Right electrode charge = -0.00625137746 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.0078758438 Average electrode charge 2 = -0.0078758438 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339421 -0.510841 -0.509626 ________________________________________________________________________ Electrode charge exchange: 0.0780551284 Move Jump Cl: 0.93394 0.36984 Na: 0.93369 0.36942 ________________________________________________________________________ Create NaCl : 1675319. / 4575564. = 0.36614 Destroy NaCl : 1675317. / 4575673. = 0.36614 ________________________________________________________________________ Potential at left wall /kT = 1.1474659 Potential at right wall /kT = -1.15777661 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6629565 Potential at right wall /mV = -29.9294969 ________________________________________________________________________ Capacitance of left DL = 0.0379338206 Capacitance of right DL = 0.0375959969 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37120812 Capacitance of right DL [F/m2] = 3.34118547 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.17249925 Adsorption of ion 1 on right wall = -3.92079124 Adsorption of ion 2 on left wall = -3.81942665 Adsorption of ion 2 on right wall = 5.18437422 ------------------------------------------------------------------------ net charge in left DL = -8.9919259 7.15725683 net charge in right DL = 9.10516547 -7.15725683 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.722692977 Relative adsorption of ion 1 on right wall = -0.54780642 Relative adsorption of ion 2 on left wall = -0.533643928 Relative adsorption of ion 2 on right wall = 0.724352129 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1530------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00729889048 Right electrode charge = -0.00729889048 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00787553055 Average electrode charge 2 = -0.00787553055 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339360 -0.510841 -0.509565 ________________________________________________________________________ Electrode charge exchange: 0.078055844 Move Jump Cl: 0.93395 0.36983 Na: 0.93370 0.36943 ________________________________________________________________________ Create NaCl : 1680822. / 4590676. = 0.36614 Destroy NaCl : 1680815. / 4590710. = 0.36613 ________________________________________________________________________ Potential at left wall /kT = 1.14725139 Potential at right wall /kT = -1.15719064 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6574112 Potential at right wall /mV = -29.9143492 ________________________________________________________________________ Capacitance of left DL = 0.0442984884 Capacitance of right DL = 0.0439180033 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37183847 Capacitance of right DL [F/m2] = 3.34287733 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.17189066 Adsorption of ion 1 on right wall = -3.91246136 Adsorption of ion 2 on left wall = -3.82221571 Adsorption of ion 2 on right wall = 5.18941637 ------------------------------------------------------------------------ net charge in left DL = -8.99410637 8.35656367 net charge in right DL = 9.10187773 -8.35656367 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.618901604 Relative adsorption of ion 1 on right wall = -0.468190217 Relative adsorption of ion 2 on left wall = -0.457390844 Relative adsorption of ion 2 on right wall = 0.620998843 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1535------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00858758628 Right electrode charge = -0.00858758628 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99915 ________________________________________________________________________ Average electrode charge 1 = 0.00787609074 Average electrode charge 2 = -0.00787609074 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339511 -0.510841 -0.509715 ________________________________________________________________________ Electrode charge exchange: 0.0780624877 Move Jump Cl: 0.93395 0.36983 Na: 0.93369 0.36943 ________________________________________________________________________ Create NaCl : 1686225. / 4605626. = 0.36612 Destroy NaCl : 1686232. / 4605699. = 0.36612 ________________________________________________________________________ Potential at left wall /kT = 1.14579291 Potential at right wall /kT = -1.15578349 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6197082 Potential at right wall /mV = -29.8779731 ________________________________________________________________________ Capacitance of left DL = 0.0521861955 Capacitance of right DL = 0.0517350984 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37613049 Capacitance of right DL [F/m2] = 3.34694725 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16815471 Adsorption of ion 1 on right wall = -3.91878677 Adsorption of ion 2 on left wall = -3.82332799 Adsorption of ion 2 on right wall = 5.18514074 ------------------------------------------------------------------------ net charge in left DL = -8.99148269 9.83200277 net charge in right DL = 9.10392751 -9.83200277 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.525646181 Relative adsorption of ion 1 on right wall = -0.39857462 Relative adsorption of ion 2 on left wall = -0.388865634 Relative adsorption of ion 2 on right wall = 0.527373808 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1540------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00546392619 Right electrode charge = -0.00546392619 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99980 Bulk concentration of Na = 0.99922 ________________________________________________________________________ Average electrode charge 1 = 0.00787514653 Average electrode charge 2 = -0.00787514653 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339660 -0.510841 -0.509865 ________________________________________________________________________ Electrode charge exchange: 0.0780603162 Move Jump Cl: 0.93396 0.36983 Na: 0.93369 0.36941 ________________________________________________________________________ Create NaCl : 1691686. / 4620569. = 0.36612 Destroy NaCl : 1691693. / 4620738. = 0.36611 ________________________________________________________________________ Potential at left wall /kT = 1.14595297 Potential at right wall /kT = -1.15585616 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6238459 Potential at right wall /mV = -29.8798516 ________________________________________________________________________ Capacitance of left DL = 0.0331992814 Capacitance of right DL = 0.0329148353 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37565893 Capacitance of right DL [F/m2] = 3.34673683 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16640205 Adsorption of ion 1 on right wall = -3.92729682 Adsorption of ion 2 on left wall = -3.82372206 Adsorption of ion 2 on right wall = 5.1759768 ------------------------------------------------------------------------ net charge in left DL = -8.99012411 6.25569697 net charge in right DL = 9.10327362 -6.25569697 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.825871533 Relative adsorption of ion 1 on right wall = -0.627795246 Relative adsorption of ion 2 on left wall = -0.611238377 Relative adsorption of ion 2 on right wall = 0.827402098 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1545------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00766280624 Right electrode charge = -0.00766280624 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99978 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00787392289 Average electrode charge 2 = -0.00787392289 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339622 -0.510841 -0.509826 ________________________________________________________________________ Electrode charge exchange: 0.078061251 Move Jump Cl: 0.93395 0.36985 Na: 0.93369 0.36940 ________________________________________________________________________ Create NaCl : 1697171. / 4635687. = 0.36611 Destroy NaCl : 1697173. / 4635650. = 0.36611 ________________________________________________________________________ Potential at left wall /kT = 1.14571873 Potential at right wall /kT = -1.15593454 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6177905 Potential at right wall /mV = -29.8818779 ________________________________________________________________________ Capacitance of left DL = 0.0465693832 Capacitance of right DL = 0.0461578165 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37634909 Capacitance of right DL [F/m2] = 3.34650989 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16343885 Adsorption of ion 1 on right wall = -3.92509643 Adsorption of ion 2 on left wall = -3.82513237 Adsorption of ion 2 on right wall = 5.1770152 ------------------------------------------------------------------------ net charge in left DL = -8.98857122 8.77321401 net charge in right DL = 9.10211163 -8.77321401 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.588545868 Relative adsorption of ion 1 on right wall = -0.447395495 Relative adsorption of ion 2 on left wall = -0.436001261 Relative adsorption of ion 2 on right wall = 0.590093345 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1550------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00877952422 Right electrode charge = -0.00877952422 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99981 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00787373951 Average electrode charge 2 = -0.00787373951 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339676 -0.510841 -0.509881 ________________________________________________________________________ Electrode charge exchange: 0.0780670173 Move Jump Cl: 0.93397 0.36986 Na: 0.93369 0.36943 ________________________________________________________________________ Create NaCl : 1702649. / 4650621. = 0.36611 Destroy NaCl : 1702649. / 4650714. = 0.36610 ________________________________________________________________________ Potential at left wall /kT = 1.14654075 Potential at right wall /kT = -1.15690119 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6390406 Potential at right wall /mV = -29.9068667 ________________________________________________________________________ Capacitance of left DL = 0.0533177899 Capacitance of right DL = 0.052840311 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37392838 Capacitance of right DL [F/m2] = 3.3437137 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15809374 Adsorption of ion 1 on right wall = -3.92476346 Adsorption of ion 2 on left wall = -3.8320971 Adsorption of ion 2 on right wall = 5.17647956 ------------------------------------------------------------------------ net charge in left DL = -8.99019085 10.0517542 net charge in right DL = 9.10124302 -10.0517542 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.513153589 Relative adsorption of ion 1 on right wall = -0.390455574 Relative adsorption of ion 2 on left wall = -0.38123665 Relative adsorption of ion 2 on right wall = 0.514982704 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1555------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00609774037 Right electrode charge = -0.00609774037 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 177 -1.00 3.0000 1.5000 Na ion: 177 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99983 Bulk concentration of Na = 0.99928 ________________________________________________________________________ Average electrode charge 1 = 0.00787289203 Average electrode charge 2 = -0.00787289203 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339743 -0.510841 -0.509947 ________________________________________________________________________ Electrode charge exchange: 0.0780742409 Move Jump Cl: 0.93396 0.36985 Na: 0.93368 0.36943 ________________________________________________________________________ Create NaCl : 1708030. / 4665585. = 0.36609 Destroy NaCl : 1708053. / 4665726. = 0.36609 ________________________________________________________________________ Potential at left wall /kT = 1.14619345 Potential at right wall /kT = -1.15668773 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6300625 Potential at right wall /mV = -29.9013485 ________________________________________________________________________ Capacitance of left DL = 0.0370426169 Capacitance of right DL = 0.0367065404 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37495069 Capacitance of right DL [F/m2] = 3.34433078 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15848366 Adsorption of ion 1 on right wall = -3.92625685 Adsorption of ion 2 on left wall = -3.83245469 Adsorption of ion 2 on right wall = 5.17214403 ------------------------------------------------------------------------ net charge in left DL = -8.99093835 6.98135638 net charge in right DL = 9.09840088 -6.98135638 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.738894189 Relative adsorption of ion 1 on right wall = -0.562391695 Relative adsorption of ion 2 on left wall = -0.548955601 Relative adsorption of ion 2 on right wall = 0.740850881 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1560------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0095137338 Right electrode charge = -0.0095137338 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99982 Bulk concentration of Na = 0.99928 ________________________________________________________________________ Average electrode charge 1 = 0.00787073124 Average electrode charge 2 = -0.00787073124 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339735 -0.510841 -0.509940 ________________________________________________________________________ Electrode charge exchange: 0.0780754783 Move Jump Cl: 0.93394 0.36985 Na: 0.93370 0.36946 ________________________________________________________________________ Create NaCl : 1713656. / 4680547. = 0.36612 Destroy NaCl : 1713671. / 4680876. = 0.36610 ________________________________________________________________________ Potential at left wall /kT = 1.14495028 Potential at right wall /kT = -1.15588778 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5979255 Potential at right wall /mV = -29.8806692 ________________________________________________________________________ Capacitance of left DL = 0.0578568816 Capacitance of right DL = 0.0573094149 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37861517 Capacitance of right DL [F/m2] = 3.34664526 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15309962 Adsorption of ion 1 on right wall = -3.9285281 Adsorption of ion 2 on left wall = -3.83540427 Adsorption of ion 2 on right wall = 5.16617282 ------------------------------------------------------------------------ net charge in left DL = -8.98850389 10.8923572 net charge in right DL = 9.09470092 -10.8923572 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.473093154 Relative adsorption of ion 1 on right wall = -0.360668314 Relative adsorption of ion 2 on left wall = -0.352118848 Relative adsorption of ion 2 on right wall = 0.474293372 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1565------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00776707091 Right electrode charge = -0.00776707091 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99980 Bulk concentration of Na = 0.99928 ________________________________________________________________________ Average electrode charge 1 = 0.00787024012 Average electrode charge 2 = -0.00787024012 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339715 -0.510841 -0.509920 ________________________________________________________________________ Electrode charge exchange: 0.0780642599 Move Jump Cl: 0.93394 0.36983 Na: 0.93371 0.36946 ________________________________________________________________________ Create NaCl : 1719122. / 4695559. = 0.36612 Destroy NaCl : 1719138. / 4695867. = 0.36610 ________________________________________________________________________ Potential at left wall /kT = 1.14673688 Potential at right wall /kT = -1.15716302 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6441108 Potential at right wall /mV = -29.9136351 ________________________________________________________________________ Capacitance of left DL = 0.0471611234 Capacitance of right DL = 0.0467361978 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37335132 Capacitance of right DL [F/m2] = 3.34295714 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15838929 Adsorption of ion 1 on right wall = -3.9256097 Adsorption of ion 2 on left wall = -3.83285286 Adsorption of ion 2 on right wall = 5.16728414 ------------------------------------------------------------------------ net charge in left DL = -8.99124215 8.89258754 net charge in right DL = 9.09289384 -8.89258754 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.580077426 Relative adsorption of ion 1 on right wall = -0.441447406 Relative adsorption of ion 2 on left wall = -0.431016602 Relative adsorption of ion 2 on right wall = 0.581077681 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1570------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00754474179 Right electrode charge = -0.00754474179 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99980 Bulk concentration of Na = 0.99928 ________________________________________________________________________ Average electrode charge 1 = 0.00786868204 Average electrode charge 2 = -0.00786868204 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339715 -0.510841 -0.509919 ________________________________________________________________________ Electrode charge exchange: 0.0780707194 Move Jump Cl: 0.93395 0.36985 Na: 0.93369 0.36947 ________________________________________________________________________ Create NaCl : 1724703. / 4710657. = 0.36613 Destroy NaCl : 1724698. / 4710884. = 0.36611 ________________________________________________________________________ Potential at left wall /kT = 1.14537528 Potential at right wall /kT = -1.1557362 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6089122 Potential at right wall /mV = -29.8767506 ________________________________________________________________________ Capacitance of left DL = 0.0458656156 Capacitance of right DL = 0.0454544407 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37736149 Capacitance of right DL [F/m2] = 3.34708421 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15291367 Adsorption of ion 1 on right wall = -3.92952264 Adsorption of ion 2 on left wall = -3.83686573 Adsorption of ion 2 on right wall = 5.15972779 ------------------------------------------------------------------------ net charge in left DL = -8.9897794 8.63804098 net charge in right DL = 9.08925043 -8.63804098 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.596537303 Relative adsorption of ion 1 on right wall = -0.454909006 Relative adsorption of ion 2 on left wall = -0.444182395 Relative adsorption of ion 2 on right wall = 0.597326154 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1575------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00628363493 Right electrode charge = -0.00628363493 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 215 -1.00 3.0000 1.5000 Na ion: 215 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99977 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00786702101 Average electrode charge 2 = -0.00786702101 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339660 -0.510841 -0.509864 ________________________________________________________________________ Electrode charge exchange: 0.0780781055 Move Jump Cl: 0.93395 0.36983 Na: 0.93370 0.36948 ________________________________________________________________________ Create NaCl : 1730269. / 4725814. = 0.36613 Destroy NaCl : 1730254. / 4725818. = 0.36613 ________________________________________________________________________ Potential at left wall /kT = 1.14368934 Potential at right wall /kT = -1.15424211 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5653291 Potential at right wall /mV = -29.8381271 ________________________________________________________________________ Capacitance of left DL = 0.0382554686 Capacitance of right DL = 0.0379057143 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38234016 Capacitance of right DL [F/m2] = 3.35141679 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15599404 Adsorption of ion 1 on right wall = -3.92387475 Adsorption of ion 2 on left wall = -3.83122403 Adsorption of ion 2 on right wall = 5.16259163 ------------------------------------------------------------------------ net charge in left DL = -8.98721807 7.19418869 net charge in right DL = 9.08646637 -7.19418869 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.716688742 Relative adsorption of ion 1 on right wall = -0.545422829 Relative adsorption of ion 2 on left wall = -0.53254428 Relative adsorption of ion 2 on right wall = 0.717605814 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1580------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00753988871 Right electrode charge = -0.00753988871 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 177 -1.00 3.0000 1.5000 Na ion: 177 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99925 ________________________________________________________________________ Average electrode charge 1 = 0.00786445742 Average electrode charge 2 = -0.00786445742 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339626 -0.510841 -0.509831 ________________________________________________________________________ Electrode charge exchange: 0.0780746629 Move Jump Cl: 0.93396 0.36986 Na: 0.93369 0.36948 ________________________________________________________________________ Create NaCl : 1735761. / 4740830. = 0.36613 Destroy NaCl : 1735784. / 4740638. = 0.36615 ________________________________________________________________________ Potential at left wall /kT = 1.14559747 Potential at right wall /kT = -1.15651083 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6146559 Potential at right wall /mV = -29.8967755 ________________________________________________________________________ Capacitance of left DL = 0.0458272233 Capacitance of right DL = 0.0453947768 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37670647 Capacitance of right DL [F/m2] = 3.34484233 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.16014328 Adsorption of ion 1 on right wall = -3.92228795 Adsorption of ion 2 on left wall = -3.82701127 Adsorption of ion 2 on right wall = 5.16117512 ------------------------------------------------------------------------ net charge in left DL = -8.98715455 8.63248465 net charge in right DL = 9.08346307 -8.63248465 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.597758755 Relative adsorption of ion 1 on right wall = -0.454363733 Relative adsorption of ion 2 on left wall = -0.443326739 Relative adsorption of ion 2 on right wall = 0.597878285 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1585------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00701184358 Right electrode charge = -0.00701184358 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 196 -1.00 3.0000 1.5000 Na ion: 196 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99972 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00786408439 Average electrode charge 2 = -0.00786408439 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339589 -0.510841 -0.509794 ________________________________________________________________________ Electrode charge exchange: 0.0780690116 Move Jump Cl: 0.93395 0.36984 Na: 0.93370 0.36949 ________________________________________________________________________ Create NaCl : 1741193. / 4755619. = 0.36613 Destroy NaCl : 1741197. / 4755806. = 0.36612 ________________________________________________________________________ Potential at left wall /kT = 1.14452785 Potential at right wall /kT = -1.15597209 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5870055 Potential at right wall /mV = -29.8828486 ________________________________________________________________________ Capacitance of left DL = 0.0426576086 Capacitance of right DL = 0.0422352942 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37986215 Capacitance of right DL [F/m2] = 3.34640119 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15372912 Adsorption of ion 1 on right wall = -3.91806973 Adsorption of ion 2 on left wall = -3.83265103 Adsorption of ion 2 on right wall = 5.16432362 ------------------------------------------------------------------------ net charge in left DL = -8.98638015 8.02792115 net charge in right DL = 9.08239335 -8.02792115 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.641975553 Relative adsorption of ion 1 on right wall = -0.488055333 Relative adsorption of ion 2 on left wall = -0.477415132 Relative adsorption of ion 2 on right wall = 0.64329526 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1590------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00567214707 Right electrode charge = -0.00567214707 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 216 -1.00 3.0000 1.5000 Na ion: 216 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99975 Bulk concentration of Na = 0.99924 ________________________________________________________________________ Average electrode charge 1 = 0.00786476172 Average electrode charge 2 = -0.00786476172 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339627 -0.510841 -0.509831 ________________________________________________________________________ Electrode charge exchange: 0.0780789767 Move Jump Cl: 0.93395 0.36982 Na: 0.93369 0.36948 ________________________________________________________________________ Create NaCl : 1746690. / 4770785. = 0.36612 Destroy NaCl : 1746674. / 4770708. = 0.36612 ________________________________________________________________________ Potential at left wall /kT = 1.14509411 Potential at right wall /kT = -1.15652444 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6016437 Potential at right wall /mV = -29.8971272 ________________________________________________________________________ Capacitance of left DL = 0.0344902986 Capacitance of right DL = 0.0341494192 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37819079 Capacitance of right DL [F/m2] = 3.34480297 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15331685 Adsorption of ion 1 on right wall = -3.91436161 Adsorption of ion 2 on left wall = -3.83293055 Adsorption of ion 2 on right wall = 5.17025294 ------------------------------------------------------------------------ net charge in left DL = -8.9862474 6.49409088 net charge in right DL = 9.08461455 -6.49409088 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.79353938 Relative adsorption of ion 1 on right wall = -0.602757443 Relative adsorption of ion 2 on left wall = -0.590218188 Relative adsorption of ion 2 on right wall = 0.796147304 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1595------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00793933951 Right electrode charge = -0.00793933951 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99976 Bulk concentration of Na = 0.99924 ________________________________________________________________________ Average electrode charge 1 = 0.00786381285 Average electrode charge 2 = -0.00786381285 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339633 -0.510841 -0.509838 ________________________________________________________________________ Electrode charge exchange: 0.0780781659 Move Jump Cl: 0.93394 0.36981 Na: 0.93369 0.36950 ________________________________________________________________________ Create NaCl : 1752246. / 4786018. = 0.36612 Destroy NaCl : 1752268. / 4785572. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.14437568 Potential at right wall /kT = -1.15606568 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5830717 Potential at right wall /mV = -29.885268 ________________________________________________________________________ Capacitance of left DL = 0.0483065928 Capacitance of right DL = 0.0478181223 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38031158 Capacitance of right DL [F/m2] = 3.34613028 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1534806 Adsorption of ion 1 on right wall = -3.91651883 Adsorption of ion 2 on left wall = -3.8296921 Adsorption of ion 2 on right wall = 5.16832541 ------------------------------------------------------------------------ net charge in left DL = -8.98317269 9.08981936 net charge in right DL = 9.08484424 -9.08981936 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566950826 Relative adsorption of ion 1 on right wall = -0.430868719 Relative adsorption of ion 2 on left wall = -0.421316634 Relative adsorption of ion 2 on right wall = 0.568583951 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1600------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00604833395 Right electrode charge = -0.00604833395 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00786360148 Average electrode charge 2 = -0.00786360148 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339563 -0.510841 -0.509767 ________________________________________________________________________ Electrode charge exchange: 0.0780679345 Move Jump Cl: 0.93394 0.36984 Na: 0.93371 0.36950 ________________________________________________________________________ Create NaCl : 1757717. / 4800976. = 0.36612 Destroy NaCl : 1757717. / 4800410. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.14376985 Potential at right wall /kT = -1.15531554 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5674104 Potential at right wall /mV = -29.8658762 ________________________________________________________________________ Capacitance of left DL = 0.0368203381 Capacitance of right DL = 0.0364523725 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38210208 Capacitance of right DL [F/m2] = 3.3483029 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14757596 Adsorption of ion 1 on right wall = -3.91112784 Adsorption of ion 2 on left wall = -3.83360705 Adsorption of ion 2 on right wall = 5.17414686 ------------------------------------------------------------------------ net charge in left DL = -8.98118301 6.92479053 net charge in right DL = 9.0852747 -6.92479053 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.743354754 Relative adsorption of ion 1 on right wall = -0.564800888 Relative adsorption of ion 2 on left wall = -0.553606211 Relative adsorption of ion 2 on right wall = 0.747191823 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1605------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00699932486 Right electrode charge = -0.00699932486 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00786380936 Average electrode charge 2 = -0.00786380936 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339420 -0.510841 -0.509625 ________________________________________________________________________ Electrode charge exchange: 0.0780592582 Move Jump Cl: 0.93395 0.36983 Na: 0.93369 0.36950 ________________________________________________________________________ Create NaCl : 1763252. / 4815803. = 0.36614 Destroy NaCl : 1763252. / 4815518. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.14384427 Potential at right wall /kT = -1.15575729 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5693343 Potential at right wall /mV = -29.8772959 ________________________________________________________________________ Capacitance of left DL = 0.0426068967 Capacitance of right DL = 0.0421677242 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38188202 Capacitance of right DL [F/m2] = 3.34702312 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1526554 Adsorption of ion 1 on right wall = -3.91139045 Adsorption of ion 2 on left wall = -3.83073914 Adsorption of ion 2 on right wall = 5.1724552 ------------------------------------------------------------------------ net charge in left DL = -8.98339454 8.01358836 net charge in right DL = 9.08384565 -8.01358836 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.642989778 Relative adsorption of ion 1 on right wall = -0.488094755 Relative adsorption of ion 2 on left wall = -0.478030436 Relative adsorption of ion 2 on right wall = 0.645460556 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1610------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00574990082 Right electrode charge = -0.00574990082 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 203 -1.00 3.0000 1.5000 Na ion: 203 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00786439891 Average electrode charge 2 = -0.00786439891 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339348 -0.510841 -0.509553 ________________________________________________________________________ Electrode charge exchange: 0.0780661391 Move Jump Cl: 0.93396 0.36986 Na: 0.93369 0.36950 ________________________________________________________________________ Create NaCl : 1768871. / 4830958. = 0.36615 Destroy NaCl : 1768868. / 4830527. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.14307899 Potential at right wall /kT = -1.15522625 ------------------------------------------------------------------------ Potential at left wall /mV = 29.5495511 Potential at right wall /mV = -29.863568 ________________________________________________________________________ Capacitance of left DL = 0.0350247275 Capacitance of right DL = 0.0346564407 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.38414617 Capacitance of right DL [F/m2] = 3.3485617 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1509828 Adsorption of ion 1 on right wall = -3.91135877 Adsorption of ion 2 on left wall = -3.83108877 Adsorption of ion 2 on right wall = 5.17446729 ------------------------------------------------------------------------ net charge in left DL = -8.98207156 6.58311182 net charge in right DL = 9.08582606 -6.58311182 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.782454094 Relative adsorption of ion 1 on right wall = -0.594150437 Relative adsorption of ion 2 on left wall = -0.581957115 Relative adsorption of ion 2 on right wall = 0.786021478 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1615------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00789357247 Right electrode charge = -0.00789357247 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99965 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00786187389 Average electrode charge 2 = -0.00786187389 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339394 -0.510841 -0.509599 ________________________________________________________________________ Electrode charge exchange: 0.0780607437 Move Jump Cl: 0.93396 0.36987 Na: 0.93370 0.36951 ________________________________________________________________________ Create NaCl : 1774476. / 4846107. = 0.36617 Destroy NaCl : 1774465. / 4845641. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.14553319 Potential at right wall /kT = -1.15778271 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6129943 Potential at right wall /mV = -29.9296545 ________________________________________________________________________ Capacitance of left DL = 0.0479795949 Capacitance of right DL = 0.0474719636 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37689593 Capacitance of right DL [F/m2] = 3.34116787 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14827011 Adsorption of ion 1 on right wall = -3.91923505 Adsorption of ion 2 on left wall = -3.8310614 Adsorption of ion 2 on right wall = 5.16694356 ------------------------------------------------------------------------ net charge in left DL = -8.97933151 9.03742029 net charge in right DL = 9.0861786 -9.03742029 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.569661469 Relative adsorption of ion 1 on right wall = -0.433667454 Relative adsorption of ion 2 on left wall = -0.423910947 Relative adsorption of ion 2 on right wall = 0.571727705 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1620------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00580014485 Right electrode charge = -0.00580014485 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 206 -1.00 3.0000 1.5000 Na ion: 206 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00786231767 Average electrode charge 2 = -0.00786231767 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339302 -0.510841 -0.509507 ________________________________________________________________________ Electrode charge exchange: 0.0780718481 Move Jump Cl: 0.93396 0.36987 Na: 0.93370 0.36952 ________________________________________________________________________ Create NaCl : 1779923. / 4861008. = 0.36616 Destroy NaCl : 1779917. / 4860565. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.14874468 Potential at right wall /kT = -1.16096748 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6960141 Potential at right wall /mV = -30.0119835 ________________________________________________________________________ Capacitance of left DL = 0.035156528 Capacitance of right DL = 0.0347863962 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3674553 Capacitance of right DL [F/m2] = 3.33200236 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14730952 Adsorption of ion 1 on right wall = -3.91547273 Adsorption of ion 2 on left wall = -3.83253502 Adsorption of ion 2 on right wall = 5.17512943 ------------------------------------------------------------------------ net charge in left DL = -8.97984455 6.64063666 net charge in right DL = 9.09060216 -6.64063666 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.775122896 Relative adsorption of ion 1 on right wall = -0.589623093 Relative adsorption of ion 2 on left wall = -0.577133672 Relative adsorption of ion 2 on right wall = 0.779312239 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1625------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00704760374 Right electrode charge = -0.00704760374 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00786147032 Average electrode charge 2 = -0.00786147032 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339363 -0.510841 -0.509568 ________________________________________________________________________ Electrode charge exchange: 0.0780700835 Move Jump Cl: 0.93397 0.36984 Na: 0.93370 0.36953 ________________________________________________________________________ Create NaCl : 1785272. / 4875988. = 0.36614 Destroy NaCl : 1785286. / 4875661. = 0.36616 ________________________________________________________________________ Potential at left wall /kT = 1.15061213 Potential at right wall /kT = -1.16243033 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7442892 Potential at right wall /mV = -30.0497995 ________________________________________________________________________ Capacitance of left DL = 0.042648443 Capacitance of right DL = 0.0422148448 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3619899 Capacitance of right DL [F/m2] = 3.32780922 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14607987 Adsorption of ion 1 on right wall = -3.91531398 Adsorption of ion 2 on left wall = -3.83394194 Adsorption of ion 2 on right wall = 5.17524965 ------------------------------------------------------------------------ net charge in left DL = -8.98002181 8.06886327 net charge in right DL = 9.09056363 -8.06886327 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.637770116 Relative adsorption of ion 1 on right wall = -0.485237368 Relative adsorption of ion 2 on left wall = -0.475152671 Relative adsorption of ion 2 on right wall = 0.64138522 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1630------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00607723327 Right electrode charge = -0.00607723327 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00786265632 Average electrode charge 2 = -0.00786265632 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339422 -0.510841 -0.509627 ________________________________________________________________________ Electrode charge exchange: 0.0780649112 Move Jump Cl: 0.93398 0.36982 Na: 0.93370 0.36954 ________________________________________________________________________ Create NaCl : 1790810. / 4891199. = 0.36613 Destroy NaCl : 1790808. / 4890610. = 0.36617 ________________________________________________________________________ Potential at left wall /kT = 1.14947885 Potential at right wall /kT = -1.16068621 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7149929 Potential at right wall /mV = -30.0047126 ________________________________________________________________________ Capacitance of left DL = 0.0368125222 Capacitance of right DL = 0.0364570676 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36530452 Capacitance of right DL [F/m2] = 3.33280979 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14874721 Adsorption of ion 1 on right wall = -3.91306557 Adsorption of ion 2 on left wall = -3.83108343 Adsorption of ion 2 on right wall = 5.17858273 ------------------------------------------------------------------------ net charge in left DL = -8.97983064 6.95787761 net charge in right DL = 9.0916483 -6.95787761 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.739988183 Relative adsorption of ion 1 on right wall = -0.562393561 Relative adsorption of ion 2 on left wall = -0.550610925 Relative adsorption of ion 2 on right wall = 0.744276203 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1635------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0062683177 Right electrode charge = -0.0062683177 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00786345085 Average electrode charge 2 = -0.00786345085 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339442 -0.510841 -0.509646 ________________________________________________________________________ Electrode charge exchange: 0.0780645082 Move Jump Cl: 0.93397 0.36981 Na: 0.93369 0.36954 ________________________________________________________________________ Create NaCl : 1796358. / 4906169. = 0.36614 Destroy NaCl : 1796361. / 4905571. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.15100117 Potential at right wall /kT = -1.16241266 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7543462 Potential at right wall /mV = -30.0493428 ________________________________________________________________________ Capacitance of left DL = 0.0379197868 Capacitance of right DL = 0.0375475255 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36085355 Capacitance of right DL [F/m2] = 3.32785981 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15592132 Adsorption of ion 1 on right wall = -3.91397991 Adsorption of ion 2 on left wall = -3.82839208 Adsorption of ion 2 on right wall = 5.17699711 ------------------------------------------------------------------------ net charge in left DL = -8.9843134 7.17665185 net charge in right DL = 9.09097702 -7.17665185 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.718429906 Relative adsorption of ion 1 on right wall = -0.545376868 Relative adsorption of ion 2 on left wall = -0.533450997 Relative adsorption of ion 2 on right wall = 0.721366623 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1640------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00723484384 Right electrode charge = -0.00723484384 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00786430295 Average electrode charge 2 = -0.00786430295 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339421 -0.510841 -0.509626 ________________________________________________________________________ Electrode charge exchange: 0.0780620675 Move Jump Cl: 0.93398 0.36982 Na: 0.93368 0.36954 ________________________________________________________________________ Create NaCl : 1801896. / 4921269. = 0.36614 Destroy NaCl : 1801912. / 4920545. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15243721 Potential at right wall /kT = -1.16384583 ------------------------------------------------------------------------ Potential at left wall /mV = 29.791469 Potential at right wall /mV = -30.0863913 ________________________________________________________________________ Capacitance of left DL = 0.0437121877 Capacitance of right DL = 0.0432836982 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35666563 Capacitance of right DL [F/m2] = 3.32376186 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15403262 Adsorption of ion 1 on right wall = -3.91340706 Adsorption of ion 2 on left wall = -3.82892944 Adsorption of ion 2 on right wall = 5.18262193 ------------------------------------------------------------------------ net charge in left DL = -8.98296207 8.2832361 net charge in right DL = 9.09602899 -8.2832361 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.622224522 Relative adsorption of ion 1 on right wall = -0.472449054 Relative adsorption of ion 2 on left wall = -0.462250429 Relative adsorption of ion 2 on right wall = 0.625675988 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1645------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00917041847 Right electrode charge = -0.00917041847 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00786651567 Average electrode charge 2 = -0.00786651567 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339451 -0.510841 -0.509656 ________________________________________________________________________ Electrode charge exchange: 0.0780597924 Move Jump Cl: 0.93398 0.36983 Na: 0.93368 0.36955 ________________________________________________________________________ Create NaCl : 1807418. / 4936470. = 0.36614 Destroy NaCl : 1807432. / 4935428. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.1545925 Potential at right wall /kT = -1.16547374 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8471851 Potential at right wall /mV = -30.1284744 ________________________________________________________________________ Capacitance of left DL = 0.0553033034 Capacitance of right DL = 0.0547869738 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3503997 Capacitance of right DL [F/m2] = 3.31911927 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15046814 Adsorption of ion 1 on right wall = -3.91112102 Adsorption of ion 2 on left wall = -3.83865245 Adsorption of ion 2 on right wall = 5.18576812 ------------------------------------------------------------------------ net charge in left DL = -8.98912059 10.4992925 net charge in right DL = 9.09688914 -10.4992925 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490553831 Relative adsorption of ion 1 on right wall = -0.372512818 Relative adsorption of ion 2 on left wall = -0.365610585 Relative adsorption of ion 2 on right wall = 0.49391596 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1650------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00564907712 Right electrode charge = -0.00564907712 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00786686654 Average electrode charge 2 = -0.00786686654 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339447 -0.510841 -0.509652 ________________________________________________________________________ Electrode charge exchange: 0.0780559251 Move Jump Cl: 0.93399 0.36984 Na: 0.93368 0.36955 ________________________________________________________________________ Create NaCl : 1812913. / 4951491. = 0.36613 Destroy NaCl : 1812911. / 4950433. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.15472083 Potential at right wall /kT = -1.16576894 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8505026 Potential at right wall /mV = -30.1361054 ________________________________________________________________________ Capacitance of left DL = 0.0340636479 Capacitance of right DL = 0.0337408234 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35002735 Capacitance of right DL [F/m2] = 3.31827881 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15037774 Adsorption of ion 1 on right wall = -3.9117615 Adsorption of ion 2 on left wall = -3.83980611 Adsorption of ion 2 on right wall = 5.18519728 ------------------------------------------------------------------------ net charge in left DL = -8.99018385 6.4676779 net charge in right DL = 9.09695878 -6.4676779 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.79632564 Relative adsorption of ion 1 on right wall = -0.604816994 Relative adsorption of ion 2 on left wall = -0.59369161 Relative adsorption of ion 2 on right wall = 0.801709263 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1655------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00904517244 Right electrode charge = -0.00904517244 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99963 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00786579872 Average electrode charge 2 = -0.00786579872 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339346 -0.510841 -0.509550 ________________________________________________________________________ Electrode charge exchange: 0.0780518048 Move Jump Cl: 0.93397 0.36985 Na: 0.93366 0.36956 ________________________________________________________________________ Create NaCl : 1818425. / 4966316. = 0.36615 Destroy NaCl : 1818427. / 4965649. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15264001 Potential at right wall /kT = -1.16395627 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7967115 Potential at right wall /mV = -30.0892463 ________________________________________________________________________ Capacitance of left DL = 0.0546403929 Capacitance of right DL = 0.0541091661 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35607505 Capacitance of right DL [F/m2] = 3.32344649 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14507529 Adsorption of ion 1 on right wall = -3.90381992 Adsorption of ion 2 on left wall = -3.84292838 Adsorption of ion 2 on right wall = 5.19077167 ------------------------------------------------------------------------ net charge in left DL = -8.98800367 10.3558972 net charge in right DL = 9.0945916 -10.3558972 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.496825645 Relative adsorption of ion 1 on right wall = -0.376965883 Relative adsorption of ion 2 on left wall = -0.371085992 Relative adsorption of ion 2 on right wall = 0.50123824 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1660------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00671028235 Right electrode charge = -0.00671028235 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99963 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00786537048 Average electrode charge 2 = -0.00786537048 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339344 -0.510841 -0.509548 ________________________________________________________________________ Electrode charge exchange: 0.078066199 Move Jump Cl: 0.93396 0.36987 Na: 0.93367 0.36957 ________________________________________________________________________ Create NaCl : 1823896. / 4981360. = 0.36614 Destroy NaCl : 1823895. / 4980670. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.15194307 Potential at right wall /kT = -1.16340724 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7786949 Potential at right wall /mV = -30.0750534 ________________________________________________________________________ Capacitance of left DL = 0.0405602322 Capacitance of right DL = 0.0401605532 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35810552 Capacitance of right DL [F/m2] = 3.32501488 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14493446 Adsorption of ion 1 on right wall = -3.8999927 Adsorption of ion 2 on left wall = -3.84194931 Adsorption of ion 2 on right wall = 5.19402363 ------------------------------------------------------------------------ net charge in left DL = -8.98688378 7.68266106 net charge in right DL = 9.09401632 -7.68266106 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.669681302 Relative adsorption of ion 1 on right wall = -0.507635657 Relative adsorption of ion 2 on left wall = -0.500080543 Relative adsorption of ion 2 on right wall = 0.676070907 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1665------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00757638807 Right electrode charge = -0.00757638807 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99963 Bulk concentration of Na = 0.99906 ________________________________________________________________________ Average electrode charge 1 = 0.00786620486 Average electrode charge 2 = -0.00786620486 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339320 -0.510841 -0.509525 ________________________________________________________________________ Electrode charge exchange: 0.0780664179 Move Jump Cl: 0.93396 0.36988 Na: 0.93365 0.36956 ________________________________________________________________________ Create NaCl : 1829416. / 4996256. = 0.36616 Destroy NaCl : 1829403. / 4995878. = 0.36618 ________________________________________________________________________ Potential at left wall /kT = 1.15222699 Potential at right wall /kT = -1.16324806 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7860347 Potential at right wall /mV = -30.0709385 ________________________________________________________________________ Capacitance of left DL = 0.0457841146 Capacitance of right DL = 0.045350338 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35727804 Capacitance of right DL [F/m2] = 3.32546987 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14953185 Adsorption of ion 1 on right wall = -3.90345769 Adsorption of ion 2 on left wall = -3.83630291 Adsorption of ion 2 on right wall = 5.19351066 ------------------------------------------------------------------------ net charge in left DL = -8.98583475 8.67427308 net charge in right DL = 9.09696835 -8.67427308 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.593655722 Relative adsorption of ion 1 on right wall = -0.450004012 Relative adsorption of ion 2 on left wall = -0.442262178 Relative adsorption of ion 2 on right wall = 0.59872575 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1670------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00763081304 Right electrode charge = -0.00763081304 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99906 ________________________________________________________________________ Average electrode charge 1 = 0.00786677016 Average electrode charge 2 = -0.00786677016 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339309 -0.510841 -0.509514 ________________________________________________________________________ Electrode charge exchange: 0.0780556356 Move Jump Cl: 0.93397 0.36989 Na: 0.93364 0.36958 ________________________________________________________________________ Create NaCl : 1834858. / 5011346. = 0.36614 Destroy NaCl : 1834858. / 5010862. = 0.36618 ________________________________________________________________________ Potential at left wall /kT = 1.15121098 Potential at right wall /kT = -1.16191946 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7597698 Potential at right wall /mV = -30.0365931 ________________________________________________________________________ Capacitance of left DL = 0.0461537022 Capacitance of right DL = 0.0457283404 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36024104 Capacitance of right DL [F/m2] = 3.32927238 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14756994 Adsorption of ion 1 on right wall = -3.89684868 Adsorption of ion 2 on left wall = -3.83951499 Adsorption of ion 2 on right wall = 5.19868766 ------------------------------------------------------------------------ net charge in left DL = -8.98708493 8.73658471 net charge in right DL = 9.09553633 -8.73658471 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.58919705 Relative adsorption of ion 1 on right wall = -0.446037989 Relative adsorption of ion 2 on left wall = -0.439475506 Relative adsorption of ion 2 on right wall = 0.595048046 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1675------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00631030746 Right electrode charge = -0.00631030746 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 184 -1.00 3.0000 1.5000 Na ion: 184 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00786549335 Average electrode charge 2 = -0.00786549335 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339371 -0.510841 -0.509576 ________________________________________________________________________ Electrode charge exchange: 0.0780605902 Move Jump Cl: 0.93398 0.36989 Na: 0.93365 0.36956 ________________________________________________________________________ Create NaCl : 1840323. / 5026436. = 0.36613 Destroy NaCl : 1840339. / 5025911. = 0.36617 ________________________________________________________________________ Potential at left wall /kT = 1.14990877 Potential at right wall /kT = -1.16062743 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7261066 Potential at right wall /mV = -30.0031931 ________________________________________________________________________ Capacitance of left DL = 0.038210066 Capacitance of right DL = 0.0378571871 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36404633 Capacitance of right DL [F/m2] = 3.33297858 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14144763 Adsorption of ion 1 on right wall = -3.89350127 Adsorption of ion 2 on left wall = -3.8440487 Adsorption of ion 2 on right wall = 5.19921981 ------------------------------------------------------------------------ net charge in left DL = -8.98549633 7.2247263 net charge in right DL = 9.09272108 -7.2247263 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.711646009 Relative adsorption of ion 1 on right wall = -0.538913325 Relative adsorption of ion 2 on left wall = -0.532068419 Relative adsorption of ion 2 on right wall = 0.71964246 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1680------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00455120141 Right electrode charge = -0.00455120141 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99961 Bulk concentration of Na = 0.99906 ________________________________________________________________________ Average electrode charge 1 = 0.00786626156 Average electrode charge 2 = -0.00786626156 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339309 -0.510841 -0.509514 ________________________________________________________________________ Electrode charge exchange: 0.0780516024 Move Jump Cl: 0.93399 0.36991 Na: 0.93365 0.36958 ________________________________________________________________________ Create NaCl : 1845935. / 5041289. = 0.36616 Destroy NaCl : 1845938. / 5040968. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.15069967 Potential at right wall /kT = -1.16139707 ------------------------------------------------------------------------ Potential at left wall /mV = 29.746552 Potential at right wall /mV = -30.0230888 ________________________________________________________________________ Capacitance of left DL = 0.0275394157 Capacitance of right DL = 0.0272857555 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36173416 Capacitance of right DL [F/m2] = 3.33076988 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14346163 Adsorption of ion 1 on right wall = -3.89753892 Adsorption of ion 2 on left wall = -3.84392335 Adsorption of ion 2 on right wall = 5.19594495 ------------------------------------------------------------------------ net charge in left DL = -8.98738498 5.21071037 net charge in right DL = 9.09348387 -5.21071037 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.987094132 Relative adsorption of ion 1 on right wall = -0.747986097 Relative adsorption of ion 2 on left wall = -0.737696604 Relative adsorption of ion 2 on right wall = 0.997166333 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1685------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00608779155 Right electrode charge = -0.00608779155 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 183 -1.00 3.0000 1.5000 Na ion: 183 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99961 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.0078665245 Average electrode charge 2 = -0.0078665245 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339296 -0.510841 -0.509501 ________________________________________________________________________ Electrode charge exchange: 0.0780496936 Move Jump Cl: 0.93400 0.36993 Na: 0.93365 0.36958 ________________________________________________________________________ Create NaCl : 1851453. / 5056344. = 0.36616 Destroy NaCl : 1851470. / 5055935. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15043511 Potential at right wall /kT = -1.1609798 ------------------------------------------------------------------------ Potential at left wall /mV = 29.739713 Potential at right wall /mV = -30.012302 ________________________________________________________________________ Capacitance of left DL = 0.0368458262 Capacitance of right DL = 0.0365111712 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36250724 Capacitance of right DL [F/m2] = 3.331967 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13910284 Adsorption of ion 1 on right wall = -3.89844256 Adsorption of ion 2 on left wall = -3.84756996 Adsorption of ion 2 on right wall = 5.19611471 ------------------------------------------------------------------------ net charge in left DL = -8.9866728 6.96996588 net charge in right DL = 9.09455727 -6.96996588 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.737321089 Relative adsorption of ion 1 on right wall = -0.559320179 Relative adsorption of ion 2 on left wall = -0.552021348 Relative adsorption of ion 2 on right wall = 0.745500738 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1690------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00679096163 Right electrode charge = -0.00679096163 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99956 Bulk concentration of Na = 0.99902 ________________________________________________________________________ Average electrode charge 1 = 0.00786716624 Average electrode charge 2 = -0.00786716624 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339219 -0.510841 -0.509423 ________________________________________________________________________ Electrode charge exchange: 0.0780515192 Move Jump Cl: 0.93400 0.36994 Na: 0.93366 0.36959 ________________________________________________________________________ Create NaCl : 1856900. / 5071325. = 0.36616 Destroy NaCl : 1856901. / 5070846. = 0.36619 ________________________________________________________________________ Potential at left wall /kT = 1.15263357 Potential at right wall /kT = -1.16334411 ------------------------------------------------------------------------ Potential at left wall /mV = 29.796545 Potential at right wall /mV = -30.0734215 ________________________________________________________________________ Capacitance of left DL = 0.0410233069 Capacitance of right DL = 0.0406456183 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3560938 Capacitance of right DL [F/m2] = 3.32519531 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14539107 Adsorption of ion 1 on right wall = -3.89568896 Adsorption of ion 2 on left wall = -3.84453138 Adsorption of ion 2 on right wall = 5.19994343 ------------------------------------------------------------------------ net charge in left DL = -8.98992244 7.77503147 net charge in right DL = 9.09563239 -7.77503147 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.661783954 Relative adsorption of ion 1 on right wall = -0.501051215 Relative adsorption of ion 2 on left wall = -0.494471488 Relative adsorption of ion 2 on right wall = 0.668800306 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1695------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00844164148 Right electrode charge = -0.00844164148 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99952 Bulk concentration of Na = 0.99897 ________________________________________________________________________ Average electrode charge 1 = 0.00786875055 Average electrode charge 2 = -0.00786875055 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339131 -0.510841 -0.509335 ________________________________________________________________________ Electrode charge exchange: 0.0780511812 Move Jump Cl: 0.93398 0.36993 Na: 0.93365 0.36960 ________________________________________________________________________ Create NaCl : 1862402. / 5086227. = 0.36617 Destroy NaCl : 1862416. / 5085842. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15281951 Potential at right wall /kT = -1.16330832 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8013517 Potential at right wall /mV = -30.0724963 ________________________________________________________________________ Capacitance of left DL = 0.050986622 Capacitance of right DL = 0.0505269079 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3555525 Capacitance of right DL [F/m2] = 3.32529761 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.15138606 Adsorption of ion 1 on right wall = -3.89346193 Adsorption of ion 2 on left wall = -3.84009306 Adsorption of ion 2 on right wall = 5.20421806 ------------------------------------------------------------------------ net charge in left DL = -8.99147911 9.66490929 net charge in right DL = 9.09767998 -9.66490929 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.532998904 Relative adsorption of ion 1 on right wall = -0.40284516 Relative adsorption of ion 2 on left wall = -0.397323238 Relative adsorption of ion 2 on right wall = 0.538465277 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1700------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00914686625 Right electrode charge = -0.00914686625 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 206 -1.00 3.0000 1.5000 Na ion: 206 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99949 Bulk concentration of Na = 0.99895 ________________________________________________________________________ Average electrode charge 1 = 0.00786641934 Average electrode charge 2 = -0.00786641934 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339076 -0.510841 -0.509281 ________________________________________________________________________ Electrode charge exchange: 0.078052393 Move Jump Cl: 0.93399 0.36992 Na: 0.93366 0.36959 ________________________________________________________________________ Create NaCl : 1867945. / 5101181. = 0.36618 Destroy NaCl : 1867939. / 5100788. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.15055731 Potential at right wall /kT = -1.16113735 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7428719 Potential at right wall /mV = -30.016375 ________________________________________________________________________ Capacitance of left DL = 0.0553547287 Capacitance of right DL = 0.0548503476 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36215011 Capacitance of right DL [F/m2] = 3.33151488 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14615403 Adsorption of ion 1 on right wall = -3.89205126 Adsorption of ion 2 on left wall = -3.84200485 Adsorption of ion 2 on right wall = 5.2011576 ------------------------------------------------------------------------ net charge in left DL = -8.98815888 10.4723273 net charge in right DL = 9.09320886 -10.4723273 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.491405003 Relative adsorption of ion 1 on right wall = -0.371651033 Relative adsorption of ion 2 on left wall = -0.366872113 Relative adsorption of ion 2 on right wall = 0.49665728 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1705------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00468085349 Right electrode charge = -0.00468085349 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99954 Bulk concentration of Na = 0.99902 ________________________________________________________________________ Average electrode charge 1 = 0.00786776381 Average electrode charge 2 = -0.00786776381 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339193 -0.510841 -0.509398 ________________________________________________________________________ Electrode charge exchange: 0.0780593968 Move Jump Cl: 0.93399 0.36992 Na: 0.93366 0.36956 ________________________________________________________________________ Create NaCl : 1873391. / 5116310. = 0.36616 Destroy NaCl : 1873401. / 5115590. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.15126015 Potential at right wall /kT = -1.16192349 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7610411 Potential at right wall /mV = -30.0366974 ________________________________________________________________________ Capacitance of left DL = 0.0283101537 Capacitance of right DL = 0.0280503424 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36009751 Capacitance of right DL [F/m2] = 3.32926083 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14908547 Adsorption of ion 1 on right wall = -3.89372406 Adsorption of ion 2 on left wall = -3.84294014 Adsorption of ion 2 on right wall = 5.199517 ------------------------------------------------------------------------ net charge in left DL = -8.99202561 5.35915017 net charge in right DL = 9.09324105 -5.35915017 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.960802611 Relative adsorption of ion 1 on right wall = -0.726556251 Relative adsorption of ion 2 on left wall = -0.717080137 Relative adsorption of ion 2 on right wall = 0.970212969 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1710------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0110983748 Right electrode charge = -0.0110983748 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99955 Bulk concentration of Na = 0.99904 ________________________________________________________________________ Average electrode charge 1 = 0.00786788871 Average electrode charge 2 = -0.00786788871 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339230 -0.510841 -0.509435 ________________________________________________________________________ Electrode charge exchange: 0.0780669676 Move Jump Cl: 0.93397 0.36993 Na: 0.93366 0.36955 ________________________________________________________________________ Create NaCl : 1879023. / 5131418. = 0.36618 Destroy NaCl : 1879016. / 5130467. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15436309 Potential at right wall /kT = -1.1650145 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8412547 Potential at right wall /mV = -30.1166026 ________________________________________________________________________ Capacitance of left DL = 0.0669433755 Capacitance of right DL = 0.0663313305 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35106553 Capacitance of right DL [F/m2] = 3.32042765 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14319056 Adsorption of ion 1 on right wall = -3.88897971 Adsorption of ion 2 on left wall = -3.85152145 Adsorption of ion 2 on right wall = 5.20577465 ------------------------------------------------------------------------ net charge in left DL = -8.99471202 12.7066266 net charge in right DL = 9.09475436 -12.7066266 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.404764438 Relative adsorption of ion 1 on right wall = -0.30605918 Relative adsorption of ion 2 on left wall = -0.303111249 Relative adsorption of ion 2 on right wall = 0.409689749 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1715------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00526037971 Right electrode charge = -0.00526037971 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99953 Bulk concentration of Na = 0.99902 ________________________________________________________________________ Average electrode charge 1 = 0.00786655706 Average electrode charge 2 = -0.00786655706 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339189 -0.510841 -0.509393 ________________________________________________________________________ Electrode charge exchange: 0.0780559788 Move Jump Cl: 0.93395 0.36992 Na: 0.93366 0.36954 ________________________________________________________________________ Create NaCl : 1884487. / 5146353. = 0.36618 Destroy NaCl : 1884482. / 5145425. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15347229 Potential at right wall /kT = -1.16433292 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8182268 Potential at right wall /mV = -30.0989831 ________________________________________________________________________ Capacitance of left DL = 0.0317541564 Capacitance of right DL = 0.0314579609 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35365348 Capacitance of right DL [F/m2] = 3.32237138 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14692518 Adsorption of ion 1 on right wall = -3.88514688 Adsorption of ion 2 on left wall = -3.84682864 Adsorption of ion 2 on right wall = 5.20676489 ------------------------------------------------------------------------ net charge in left DL = -8.99375383 6.02265482 net charge in right DL = 9.09191177 -6.02265482 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.854594085 Relative adsorption of ion 1 on right wall = -0.645088752 Relative adsorption of ion 2 on left wall = -0.638726403 Relative adsorption of ion 2 on right wall = 0.864529855 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1720------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00497214907 Right electrode charge = -0.00497214907 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99952 Bulk concentration of Na = 0.99900 ________________________________________________________________________ Average electrode charge 1 = 0.00786552911 Average electrode charge 2 = -0.00786552911 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339154 -0.510841 -0.509359 ________________________________________________________________________ Electrode charge exchange: 0.0780538167 Move Jump Cl: 0.93395 0.36989 Na: 0.93366 0.36955 ________________________________________________________________________ Create NaCl : 1889949. / 5161296. = 0.36618 Destroy NaCl : 1889957. / 5160306. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15348659 Potential at right wall /kT = -1.16437024 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8185963 Potential at right wall /mV = -30.0999478 ________________________________________________________________________ Capacitance of left DL = 0.0300138871 Capacitance of right DL = 0.02973334 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35361192 Capacitance of right DL [F/m2] = 3.3222649 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14479729 Adsorption of ion 1 on right wall = -3.88112689 Adsorption of ion 2 on left wall = -3.84717475 Adsorption of ion 2 on right wall = 5.21032064 ------------------------------------------------------------------------ net charge in left DL = -8.99197204 5.69265704 net charge in right DL = 9.09144754 -5.69265704 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.903760274 Relative adsorption of ion 1 on right wall = -0.681777747 Relative adsorption of ion 2 on left wall = -0.675813548 Relative adsorption of ion 2 on right wall = 0.915270428 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1725------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00762166729 Right electrode charge = -0.00762166729 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99954 Bulk concentration of Na = 0.99903 ________________________________________________________________________ Average electrode charge 1 = 0.00786555904 Average electrode charge 2 = -0.00786555904 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339202 -0.510841 -0.509407 ________________________________________________________________________ Electrode charge exchange: 0.0780615059 Move Jump Cl: 0.93397 0.36988 Na: 0.93366 0.36954 ________________________________________________________________________ Create NaCl : 1895406. / 5176313. = 0.36617 Destroy NaCl : 1895409. / 5175430. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15195661 Potential at right wall /kT = -1.16309043 ------------------------------------------------------------------------ Potential at left wall /mV = 29.779045 Potential at right wall /mV = -30.0668638 ________________________________________________________________________ Capacitance of left DL = 0.0460685476 Capacitance of right DL = 0.0456275507 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35806605 Capacitance of right DL [F/m2] = 3.32592055 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14307397 Adsorption of ion 1 on right wall = -3.88451087 Adsorption of ion 2 on left wall = -3.84776913 Adsorption of ion 2 on right wall = 5.20644981 ------------------------------------------------------------------------ net charge in left DL = -8.99084309 8.72611366 net charge in right DL = 9.09096067 -8.72611366 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.589388835 Relative adsorption of ion 1 on right wall = -0.445159325 Relative adsorption of ion 2 on left wall = -0.440948775 Relative adsorption of ion 2 on right wall = 0.596651615 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1730------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00485077772 Right electrode charge = -0.00485077772 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99955 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00786577631 Average electrode charge 2 = -0.00786577631 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339230 -0.510841 -0.509435 ________________________________________________________________________ Electrode charge exchange: 0.0780586957 Move Jump Cl: 0.93396 0.36988 Na: 0.93365 0.36953 ________________________________________________________________________ Create NaCl : 1900910. / 5191482. = 0.36616 Destroy NaCl : 1900916. / 5190406. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15159436 Potential at right wall /kT = -1.16217535 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7696806 Potential at right wall /mV = -30.0432082 ________________________________________________________________________ Capacitance of left DL = 0.029329354 Capacitance of right DL = 0.0290623257 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35912237 Capacitance of right DL [F/m2] = 3.32853933 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14529985 Adsorption of ion 1 on right wall = -3.88361769 Adsorption of ion 2 on left wall = -3.84652997 Adsorption of ion 2 on right wall = 5.20592532 ------------------------------------------------------------------------ net charge in left DL = -8.99182982 5.55369791 net charge in right DL = 9.08954301 -5.55369791 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.92646376 Relative adsorption of ion 1 on right wall = -0.699285008 Relative adsorption of ion 2 on left wall = -0.692606986 Relative adsorption of ion 2 on right wall = 0.937379996 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1735------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00893987518 Right electrode charge = -0.00893987518 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99957 Bulk concentration of Na = 0.99906 ________________________________________________________________________ Average electrode charge 1 = 0.00786605237 Average electrode charge 2 = -0.00786605237 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339267 -0.510841 -0.509472 ________________________________________________________________________ Electrode charge exchange: 0.0780579056 Move Jump Cl: 0.93398 0.36988 Na: 0.93366 0.36953 ________________________________________________________________________ Create NaCl : 1906427. / 5206535. = 0.36616 Destroy NaCl : 1906436. / 5205364. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.1503615 Potential at right wall /kT = -1.16120882 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7378102 Potential at right wall /mV = -30.0182224 ________________________________________________________________________ Capacitance of left DL = 0.0541112752 Capacitance of right DL = 0.0536058001 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36272239 Capacitance of right DL [F/m2] = 3.33130985 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13784063 Adsorption of ion 1 on right wall = -3.88400217 Adsorption of ion 2 on left wall = -3.85330191 Adsorption of ion 2 on right wall = 5.20550505 ------------------------------------------------------------------------ net charge in left DL = -8.99114254 10.2353414 net charge in right DL = 9.08950722 -10.2353414 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.501970615 Relative adsorption of ion 1 on right wall = -0.379469723 Relative adsorption of ion 2 on left wall = -0.376470286 Relative adsorption of ion 2 on right wall = 0.508581477 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1740------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00963139815 Right electrode charge = -0.00963139815 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99959 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00786644889 Average electrode charge 2 = -0.00786644889 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339314 -0.510841 -0.509518 ________________________________________________________________________ Electrode charge exchange: 0.0780544664 Move Jump Cl: 0.93399 0.36988 Na: 0.93367 0.36954 ________________________________________________________________________ Create NaCl : 1911949. / 5221497. = 0.36617 Destroy NaCl : 1911937. / 5220280. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.14946801 Potential at right wall /kT = -1.16015688 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7147128 Potential at right wall /mV = -29.9910289 ________________________________________________________________________ Capacitance of left DL = 0.0583422398 Capacitance of right DL = 0.0578047158 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36533624 Capacitance of right DL [F/m2] = 3.33433042 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13455443 Adsorption of ion 1 on right wall = -3.88396813 Adsorption of ion 2 on left wall = -3.85612047 Adsorption of ion 2 on right wall = 5.20540056 ------------------------------------------------------------------------ net charge in left DL = -8.9906749 11.0270721 net charge in right DL = 9.08936869 -11.0270721 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.465631708 Relative adsorption of ion 1 on right wall = -0.35222116 Relative adsorption of ion 2 on left wall = -0.349695769 Relative adsorption of ion 2 on right wall = 0.472056453 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1745------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00547070783 Right electrode charge = -0.00547070783 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 207 -1.00 3.0000 1.5000 Na ion: 207 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99959 Bulk concentration of Na = 0.99909 ________________________________________________________________________ Average electrode charge 1 = 0.00786835756 Average electrode charge 2 = -0.00786835756 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339315 -0.510841 -0.509520 ________________________________________________________________________ Electrode charge exchange: 0.0780673333 Move Jump Cl: 0.93398 0.36986 Na: 0.93367 0.36955 ________________________________________________________________________ Create NaCl : 1917379. / 5236594. = 0.36615 Destroy NaCl : 1917372. / 5235277. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.14845878 Potential at right wall /kT = -1.15882949 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6886233 Potential at right wall /mV = -29.9567147 ________________________________________________________________________ Capacitance of left DL = 0.03316796 Capacitance of right DL = 0.0328711302 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36829361 Capacitance of right DL [F/m2] = 3.33814976 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13335093 Adsorption of ion 1 on right wall = -3.8752037 Adsorption of ion 2 on left wall = -3.85881021 Adsorption of ion 2 on right wall = 5.21534242 ------------------------------------------------------------------------ net charge in left DL = -8.99216114 6.26346133 net charge in right DL = 9.09054612 -6.26346133 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.819570946 Relative adsorption of ion 1 on right wall = -0.618700029 Relative adsorption of ion 2 on left wall = -0.616082706 Relative adsorption of ion 2 on right wall = 0.83266139 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1750------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00406108984 Right electrode charge = -0.00406108984 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99963 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00786763629 Average electrode charge 2 = -0.00786763629 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339372 -0.510841 -0.509576 ________________________________________________________________________ Electrode charge exchange: 0.0780634685 Move Jump Cl: 0.93399 0.36987 Na: 0.93367 0.36953 ________________________________________________________________________ Create NaCl : 1922931. / 5251710. = 0.36615 Destroy NaCl : 1922953. / 5250169. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.14718855 Potential at right wall /kT = -1.15731093 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6557868 Potential at right wall /mV = -29.9174586 ________________________________________________________________________ Capacitance of left DL = 0.0246489512 Capacitance of right DL = 0.0244333601 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37202316 Capacitance of right DL [F/m2] = 3.3425299 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1254268 Adsorption of ion 1 on right wall = -3.8687143 Adsorption of ion 2 on left wall = -3.86360957 Adsorption of ion 2 on right wall = 5.22164219 ------------------------------------------------------------------------ net charge in left DL = -8.98903636 4.64957734 net charge in right DL = 9.09035649 -4.64957734 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.10234252 Relative adsorption of ion 1 on right wall = -0.8320572 Relative adsorption of ion 2 on left wall = -0.830959308 Relative adsorption of ion 2 on right wall = 1.12303588 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1755------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00901280986 Right electrode charge = -0.00901280986 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99960 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00786900767 Average electrode charge 2 = -0.00786900767 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339318 -0.510841 -0.509522 ________________________________________________________________________ Electrode charge exchange: 0.078062579 Move Jump Cl: 0.93399 0.36988 Na: 0.93368 0.36953 ________________________________________________________________________ Create NaCl : 1928409. / 5266707. = 0.36615 Destroy NaCl : 1928414. / 5265112. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.14676683 Potential at right wall /kT = -1.15676099 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6448848 Potential at right wall /mV = -29.9032424 ________________________________________________________________________ Capacitance of left DL = 0.0547237361 Capacitance of right DL = 0.0542509349 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37326323 Capacitance of right DL [F/m2] = 3.34411896 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13244776 Adsorption of ion 1 on right wall = -3.86674598 Adsorption of ion 2 on left wall = -3.85863509 Adsorption of ion 2 on right wall = 5.22402474 ------------------------------------------------------------------------ net charge in left DL = -8.99108284 10.318845 net charge in right DL = 9.09077072 -10.318845 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.497385877 Relative adsorption of ion 1 on right wall = -0.374726627 Relative adsorption of ion 2 on left wall = -0.373940601 Relative adsorption of ion 2 on right wall = 0.506260609 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1760------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00858688282 Right electrode charge = -0.00858688282 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 178 -1.00 3.0000 1.5000 Na ion: 178 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99960 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00787049743 Average electrode charge 2 = -0.00787049743 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339349 -0.510841 -0.509553 ________________________________________________________________________ Electrode charge exchange: 0.078048655 Move Jump Cl: 0.93400 0.36987 Na: 0.93365 0.36951 ________________________________________________________________________ Create NaCl : 1933897. / 5281796. = 0.36614 Destroy NaCl : 1933919. / 5280164. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.14720292 Potential at right wall /kT = -1.15736792 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6561581 Potential at right wall /mV = -29.9189319 ________________________________________________________________________ Capacitance of left DL = 0.0521177845 Capacitance of right DL = 0.0516600413 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.37198094 Capacitance of right DL [F/m2] = 3.3423653 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13798184 Adsorption of ion 1 on right wall = -3.86437242 Adsorption of ion 2 on left wall = -3.85722887 Adsorption of ion 2 on right wall = 5.22630948 ------------------------------------------------------------------------ net charge in left DL = -8.99521072 9.83119737 net charge in right DL = 9.0906819 -9.83119737 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.52262015 Relative adsorption of ion 1 on right wall = -0.393072407 Relative adsorption of ion 2 on left wall = -0.392345787 Relative adsorption of ion 2 on right wall = 0.531604573 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1765------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00804958195 Right electrode charge = -0.00804958195 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 183 -1.00 3.0000 1.5000 Na ion: 183 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99960 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00786988193 Average electrode charge 2 = -0.00786988193 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339311 -0.510841 -0.509516 ________________________________________________________________________ Electrode charge exchange: 0.0780589065 Move Jump Cl: 0.93400 0.36987 Na: 0.93365 0.36950 ________________________________________________________________________ Create NaCl : 1939355. / 5296847. = 0.36613 Destroy NaCl : 1939372. / 5294992. = 0.36627 ________________________________________________________________________ Potential at left wall /kT = 1.1509477 Potential at right wall /kT = -1.16072174 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7529639 Potential at right wall /mV = -30.005631 ________________________________________________________________________ Capacitance of left DL = 0.0486976933 Capacitance of right DL = 0.0482876267 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36100969 Capacitance of right DL [F/m2] = 3.33270779 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14188845 Adsorption of ion 1 on right wall = -3.86489791 Adsorption of ion 2 on left wall = -3.85258563 Adsorption of ion 2 on right wall = 5.22989506 ------------------------------------------------------------------------ net charge in left DL = -8.99447408 9.2160369 net charge in right DL = 9.09479297 -9.2160369 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55792837 Relative adsorption of ion 1 on right wall = -0.419366583 Relative adsorption of ion 2 on left wall = -0.418030621 Relative adsorption of ion 2 on right wall = 0.567477661 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1770------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00726501339 Right electrode charge = -0.00726501339 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 176 -1.00 3.0000 1.5000 Na ion: 176 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99961 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00786785139 Average electrode charge 2 = -0.00786785139 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339344 -0.510841 -0.509549 ________________________________________________________________________ Electrode charge exchange: 0.0780648214 Move Jump Cl: 0.93398 0.36986 Na: 0.93365 0.36951 ________________________________________________________________________ Create NaCl : 1944852. / 5311989. = 0.36613 Destroy NaCl : 1944876. / 5309954. = 0.36627 ________________________________________________________________________ Potential at left wall /kT = 1.15003094 Potential at right wall /kT = -1.15996045 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7292649 Potential at right wall /mV = -29.9859511 ________________________________________________________________________ Capacitance of left DL = 0.0439863117 Capacitance of right DL = 0.0436097794 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36368896 Capacitance of right DL [F/m2] = 3.33489506 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14291119 Adsorption of ion 1 on right wall = -3.86362874 Adsorption of ion 2 on left wall = -3.84866155 Adsorption of ion 2 on right wall = 5.2286135 ------------------------------------------------------------------------ net charge in left DL = -8.99157274 8.31777748 net charge in right DL = 9.09224224 -8.31777748 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.618303531 Relative adsorption of ion 1 on right wall = -0.464502537 Relative adsorption of ion 2 on left wall = -0.462703115 Relative adsorption of ion 2 on right wall = 0.628607042 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1775------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00862591673 Right electrode charge = -0.00862591673 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99907 ________________________________________________________________________ Average electrode charge 1 = 0.0078677976 Average electrode charge 2 = -0.0078677976 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339325 -0.510841 -0.509530 ________________________________________________________________________ Electrode charge exchange: 0.0780693139 Move Jump Cl: 0.93399 0.36984 Na: 0.93365 0.36951 ________________________________________________________________________ Create NaCl : 1950279. / 5327070. = 0.36611 Destroy NaCl : 1950286. / 5325042. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.14999042 Potential at right wall /kT = -1.15981804 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7282175 Potential at right wall /mV = -29.9822697 ________________________________________________________________________ Capacitance of left DL = 0.052227795 Capacitance of right DL = 0.0517852472 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36380747 Capacitance of right DL [F/m2] = 3.33530453 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14834368 Adsorption of ion 1 on right wall = -3.87168909 Adsorption of ion 2 on left wall = -3.84072472 Adsorption of ion 2 on right wall = 5.22267773 ------------------------------------------------------------------------ net charge in left DL = -8.98906839 9.87588764 net charge in right DL = 9.09436682 -9.87588764 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.521304399 Relative adsorption of ion 1 on right wall = -0.392034543 Relative adsorption of ion 2 on left wall = -0.388899191 Relative adsorption of ion 2 on right wall = 0.528831222 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1780------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0104414227 Right electrode charge = -0.0104414227 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 198 -1.00 3.0000 1.5000 Na ion: 198 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00786604956 Average electrode charge 2 = -0.00786604956 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339403 -0.510841 -0.509608 ________________________________________________________________________ Electrode charge exchange: 0.0780681359 Move Jump Cl: 0.93400 0.36983 Na: 0.93365 0.36951 ________________________________________________________________________ Create NaCl : 1955757. / 5342004. = 0.36611 Destroy NaCl : 1955759. / 5339865. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.14972946 Potential at right wall /kT = -1.15892641 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7214714 Potential at right wall /mV = -29.9592202 ________________________________________________________________________ Capacitance of left DL = 0.0632345845 Capacitance of right DL = 0.0627327707 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36457097 Capacitance of right DL [F/m2] = 3.33787058 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14702738 Adsorption of ion 1 on right wall = -3.87545745 Adsorption of ion 2 on left wall = -3.84250376 Adsorption of ion 2 on right wall = 5.21397854 ------------------------------------------------------------------------ net charge in left DL = -8.98953114 11.9544763 net charge in right DL = 9.08943599 -11.9544763 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.430552309 Relative adsorption of ion 1 on right wall = -0.324184628 Relative adsorption of ion 2 on left wall = -0.32142803 Relative adsorption of ion 2 on right wall = 0.436152819 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1785------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00403096827 Right electrode charge = -0.00403096827 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 186 -1.00 3.0000 1.5000 Na ion: 186 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99962 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00786760407 Average electrode charge 2 = -0.00786760407 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339358 -0.510841 -0.509563 ________________________________________________________________________ Electrode charge exchange: 0.0780609677 Move Jump Cl: 0.93401 0.36981 Na: 0.93365 0.36951 ________________________________________________________________________ Create NaCl : 1961266. / 5356820. = 0.36613 Destroy NaCl : 1961280. / 5354976. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.14892094 Potential at right wall /kT = -1.15828606 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7005706 Potential at right wall /mV = -29.9426666 ________________________________________________________________________ Capacitance of left DL = 0.0244292361 Capacitance of right DL = 0.0242317179 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36693869 Capacitance of right DL [F/m2] = 3.33971591 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14814058 Adsorption of ion 1 on right wall = -3.87779327 Adsorption of ion 2 on left wall = -3.84292656 Adsorption of ion 2 on right wall = 5.21244893 ------------------------------------------------------------------------ net charge in left DL = -8.99106714 4.61509089 net charge in right DL = 9.0902422 -4.61509089 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.11550145 Relative adsorption of ion 1 on right wall = -0.840242015 Relative adsorption of ion 2 on left wall = -0.83268708 Relative adsorption of ion 2 on right wall = 1.12943581 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1790------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00733517439 Right electrode charge = -0.00733517439 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00786801115 Average electrode charge 2 = -0.00786801115 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339483 -0.510841 -0.509687 ________________________________________________________________________ Electrode charge exchange: 0.0780579378 Move Jump Cl: 0.93400 0.36980 Na: 0.93363 0.36949 ________________________________________________________________________ Create NaCl : 1966745. / 5371756. = 0.36613 Destroy NaCl : 1966753. / 5369988. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15066943 Potential at right wall /kT = -1.15975381 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7457705 Potential at right wall /mV = -29.9806092 ________________________________________________________________________ Capacitance of left DL = 0.044386461 Capacitance of right DL = 0.044038781 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.36182248 Capacitance of right DL [F/m2] = 3.33548926 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14960085 Adsorption of ion 1 on right wall = -3.88205813 Adsorption of ion 2 on left wall = -3.84220922 Adsorption of ion 2 on right wall = 5.21040312 ------------------------------------------------------------------------ net charge in left DL = -8.99181007 8.39810543 net charge in right DL = 9.09246125 -8.39810543 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.613186021 Relative adsorption of ion 1 on right wall = -0.462254037 Relative adsorption of ion 2 on left wall = -0.457509048 Relative adsorption of ion 2 on right wall = 0.620426019 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1795------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00970382029 Right electrode charge = -0.00970382029 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 0.99912 ________________________________________________________________________ Average electrode charge 1 = 0.00786814965 Average electrode charge 2 = -0.00786814965 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339397 -0.510841 -0.509602 ________________________________________________________________________ Electrode charge exchange: 0.0780701064 Move Jump Cl: 0.93400 0.36981 Na: 0.93365 0.36949 ________________________________________________________________________ Create NaCl : 1972285. / 5386753. = 0.36614 Destroy NaCl : 1972292. / 5385117. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15155785 Potential at right wall /kT = -1.16077955 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7687367 Potential at right wall /mV = -30.0071255 ________________________________________________________________________ Capacitance of left DL = 0.0586742624 Capacitance of right DL = 0.0582081303 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35922887 Capacitance of right DL [F/m2] = 3.3325418 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14972122 Adsorption of ion 1 on right wall = -3.88301763 Adsorption of ion 2 on left wall = -3.84140887 Adsorption of ion 2 on right wall = 5.21143871 ------------------------------------------------------------------------ net charge in left DL = -8.9911301 11.1099889 net charge in right DL = 9.09445635 -11.1099889 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.463521727 Relative adsorption of ion 1 on right wall = -0.349506888 Relative adsorption of ion 2 on left wall = -0.345761721 Relative adsorption of ion 2 on right wall = 0.469076862 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1800------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00874004184 Right electrode charge = -0.00874004184 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 185 -1.00 3.0000 1.5000 Na ion: 185 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 0.99912 ________________________________________________________________________ Average electrode charge 1 = 0.00786729563 Average electrode charge 2 = -0.00786729563 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339410 -0.510841 -0.509614 ________________________________________________________________________ Electrode charge exchange: 0.0780677822 Move Jump Cl: 0.93401 0.36981 Na: 0.93365 0.36948 ________________________________________________________________________ Create NaCl : 1977807. / 5401636. = 0.36615 Destroy NaCl : 1977822. / 5400161. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15326774 Potential at right wall /kT = -1.16269136 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8129388 Potential at right wall /mV = -30.0565475 ________________________________________________________________________ Capacitance of left DL = 0.0527684117 Capacitance of right DL = 0.0523407231 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35424832 Capacitance of right DL [F/m2] = 3.3270621 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14792906 Adsorption of ion 1 on right wall = -3.88379585 Adsorption of ion 2 on left wall = -3.84344482 Adsorption of ion 2 on right wall = 5.2109187 ------------------------------------------------------------------------ net charge in left DL = -8.99137387 10.0065505 net charge in right DL = 9.09471455 -10.0065505 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.514455912 Relative adsorption of ion 1 on right wall = -0.388125344 Relative adsorption of ion 2 on left wall = -0.384092882 Relative adsorption of ion 2 on right wall = 0.520750753 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1805------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.010653949 Right electrode charge = -0.010653949 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.0078669974 Average electrode charge 2 = -0.0078669974 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339469 -0.510841 -0.509674 ________________________________________________________________________ Electrode charge exchange: 0.0780740922 Move Jump Cl: 0.93402 0.36981 Na: 0.93366 0.36950 ________________________________________________________________________ Create NaCl : 1983337. / 5416493. = 0.36617 Destroy NaCl : 1983342. / 5415160. = 0.36626 ________________________________________________________________________ Potential at left wall /kT = 1.15345778 Potential at right wall /kT = -1.16293219 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8178515 Potential at right wall /mV = -30.062773 ________________________________________________________________________ Capacitance of left DL = 0.0643131179 Capacitance of right DL = 0.0637891588 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35369568 Capacitance of right DL [F/m2] = 3.32637312 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14033721 Adsorption of ion 1 on right wall = -3.88767045 Adsorption of ion 2 on left wall = -3.85159568 Adsorption of ion 2 on right wall = 5.20599629 ------------------------------------------------------------------------ net charge in left DL = -8.99193289 12.1977996 net charge in right DL = 9.09366674 -12.1977996 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.421415124 Relative adsorption of ion 1 on right wall = -0.318718998 Relative adsorption of ion 2 on left wall = -0.315761516 Relative adsorption of ion 2 on right wall = 0.426797986 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1810------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00768844416 Right electrode charge = -0.00768844416 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 182 -1.00 3.0000 1.5000 Na ion: 182 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00786723062 Average electrode charge 2 = -0.00786723062 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339561 -0.510841 -0.509766 ________________________________________________________________________ Electrode charge exchange: 0.0780697723 Move Jump Cl: 0.93402 0.36979 Na: 0.93366 0.36950 ________________________________________________________________________ Create NaCl : 1988848. / 5431684. = 0.36616 Destroy NaCl : 1988866. / 5430070. = 0.36627 ________________________________________________________________________ Potential at left wall /kT = 1.1527867 Potential at right wall /kT = -1.16221526 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8005036 Potential at right wall /mV = -30.0442398 ________________________________________________________________________ Capacitance of left DL = 0.0464387113 Capacitance of right DL = 0.0460619737 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35564799 Capacitance of right DL [F/m2] = 3.32842504 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13646203 Adsorption of ion 1 on right wall = -3.88635137 Adsorption of ion 2 on left wall = -3.85421251 Adsorption of ion 2 on right wall = 5.20828837 ------------------------------------------------------------------------ net charge in left DL = -8.99067454 8.80256708 net charge in right DL = 9.09463974 -8.80256708 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.583518646 Relative adsorption of ion 1 on right wall = -0.441502045 Relative adsorption of ion 2 on left wall = -0.437850967 Relative adsorption of ion 2 on right wall = 0.59167835 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1815------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00756939305 Right electrode charge = -0.00756939305 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99976 Bulk concentration of Na = 0.99922 ________________________________________________________________________ Average electrode charge 1 = 0.00786547227 Average electrode charge 2 = -0.00786547227 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339613 -0.510841 -0.509818 ________________________________________________________________________ Electrode charge exchange: 0.078077453 Move Jump Cl: 0.93403 0.36979 Na: 0.93365 0.36948 ________________________________________________________________________ Create NaCl : 1994420. / 5446806. = 0.36616 Destroy NaCl : 1994426. / 5445055. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.15385355 Potential at right wall /kT = -1.16355627 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8280825 Potential at right wall /mV = -30.0789061 ________________________________________________________________________ Capacitance of left DL = 0.0456773626 Capacitance of right DL = 0.0452964658 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35254537 Capacitance of right DL [F/m2] = 3.32458899 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13798958 Adsorption of ion 1 on right wall = -3.89332947 Adsorption of ion 2 on left wall = -3.85035172 Adsorption of ion 2 on right wall = 5.20119359 ------------------------------------------------------------------------ net charge in left DL = -8.98834131 8.66626442 net charge in right DL = 9.09452307 -8.66626442 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.592872469 Relative adsorption of ion 1 on right wall = -0.449251175 Relative adsorption of ion 2 on left wall = -0.444291973 Relative adsorption of ion 2 on right wall = 0.600165578 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1820------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00840944345 Right electrode charge = -0.00840944345 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99920 ________________________________________________________________________ Average electrode charge 1 = 0.00786630259 Average electrode charge 2 = -0.00786630259 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339574 -0.510841 -0.509779 ________________________________________________________________________ Electrode charge exchange: 0.0780732662 Move Jump Cl: 0.93403 0.36976 Na: 0.93365 0.36948 ________________________________________________________________________ Create NaCl : 1999953. / 5461767. = 0.36617 Destroy NaCl : 1999952. / 5460110. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.15548681 Potential at right wall /kT = -1.1651736 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8703038 Potential at right wall /mV = -30.1207154 ________________________________________________________________________ Capacitance of left DL = 0.0506749015 Capacitance of right DL = 0.0502536107 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34780659 Capacitance of right DL [F/m2] = 3.31997427 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14018944 Adsorption of ion 1 on right wall = -3.89014976 Adsorption of ion 2 on left wall = -3.85115321 Adsorption of ion 2 on right wall = 5.20532271 ------------------------------------------------------------------------ net charge in left DL = -8.99134264 9.62804549 net charge in right DL = 9.09547247 -9.62804549 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533876729 Relative adsorption of ion 1 on right wall = -0.404043558 Relative adsorption of ion 2 on left wall = -0.39999325 Relative adsorption of ion 2 on right wall = 0.540641682 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1825------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0106746853 Right electrode charge = -0.0106746853 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99977 Bulk concentration of Na = 0.99924 ________________________________________________________________________ Average electrode charge 1 = 0.0078667554 Average electrode charge 2 = -0.0078667554 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339645 -0.510841 -0.509849 ________________________________________________________________________ Electrode charge exchange: 0.0780813452 Move Jump Cl: 0.93402 0.36976 Na: 0.93365 0.36946 ________________________________________________________________________ Create NaCl : 2005348. / 5476884. = 0.36615 Destroy NaCl : 2005343. / 5474786. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 1.15427661 Potential at right wall /kT = -1.16393933 ------------------------------------------------------------------------ Potential at left wall /mV = 29.839019 Potential at right wall /mV = -30.0888084 ________________________________________________________________________ Capacitance of left DL = 0.0643925821 Capacitance of right DL = 0.0638580117 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35131661 Capacitance of right DL [F/m2] = 3.32349486 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14759731 Adsorption of ion 1 on right wall = -3.88998931 Adsorption of ion 2 on left wall = -3.84383977 Adsorption of ion 2 on right wall = 5.20485498 ------------------------------------------------------------------------ net charge in left DL = -8.99143708 12.2215408 net charge in right DL = 9.09484429 -12.2215408 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.421190536 Relative adsorption of ion 1 on right wall = -0.318289599 Relative adsorption of ion 2 on left wall = -0.314513517 Relative adsorption of ion 2 on right wall = 0.425875516 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1830------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00642810643 Right electrode charge = -0.00642810643 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99978 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00786741284 Average electrode charge 2 = -0.00786741284 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339674 -0.510841 -0.509879 ________________________________________________________________________ Electrode charge exchange: 0.078071855 Move Jump Cl: 0.93402 0.36977 Na: 0.93365 0.36945 ________________________________________________________________________ Create NaCl : 2010844. / 5491934. = 0.36614 Destroy NaCl : 2010847. / 5489891. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.15587045 Potential at right wall /kT = -1.1655933 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8802211 Potential at right wall /mV = -30.131565 ________________________________________________________________________ Capacitance of left DL = 0.0387226036 Capacitance of right DL = 0.0383995971 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34669545 Capacitance of right DL [F/m2] = 3.31877882 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14519219 Adsorption of ion 1 on right wall = -3.89237329 Adsorption of ion 2 on left wall = -3.84929254 Adsorption of ion 2 on right wall = 5.20291146 ------------------------------------------------------------------------ net charge in left DL = -8.99448474 7.35959537 net charge in right DL = 9.09528475 -7.35959537 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.699113461 Relative adsorption of ion 1 on right wall = -0.528884143 Relative adsorption of ion 2 on left wall = -0.523030459 Relative adsorption of ion 2 on right wall = 0.706956184 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1835------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00843447935 Right electrode charge = -0.00843447935 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99977 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.0078664264 Average electrode charge 2 = -0.0078664264 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339665 -0.510841 -0.509870 ________________________________________________________________________ Electrode charge exchange: 0.0780640895 Move Jump Cl: 0.93403 0.36977 Na: 0.93366 0.36947 ________________________________________________________________________ Create NaCl : 2016273. / 5506986. = 0.36613 Destroy NaCl : 2016273. / 5504823. = 0.36627 ________________________________________________________________________ Potential at left wall /kT = 1.15569904 Potential at right wall /kT = -1.16565578 ------------------------------------------------------------------------ Potential at left wall /mV = 29.87579 Potential at right wall /mV = -30.1331801 ________________________________________________________________________ Capacitance of left DL = 0.0508164334 Capacitance of right DL = 0.050382372 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34719183 Capacitance of right DL [F/m2] = 3.31860094 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14246698 Adsorption of ion 1 on right wall = -3.89031776 Adsorption of ion 2 on left wall = -3.85132777 Adsorption of ion 2 on right wall = 5.20347923 ------------------------------------------------------------------------ net charge in left DL = -8.99379475 9.65670931 net charge in right DL = 9.09379699 -9.65670931 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.532527884 Relative adsorption of ion 1 on right wall = -0.402861641 Relative adsorption of ion 2 on left wall = -0.398824035 Relative adsorption of ion 2 on right wall = 0.538846004 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1840------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0057758547 Right electrode charge = -0.0057758547 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99979 Bulk concentration of Na = 0.99928 ________________________________________________________________________ Average electrode charge 1 = 0.00786606171 Average electrode charge 2 = -0.00786606171 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339701 -0.510841 -0.509906 ________________________________________________________________________ Electrode charge exchange: 0.0780507413 Move Jump Cl: 0.93402 0.36977 Na: 0.93366 0.36946 ________________________________________________________________________ Create NaCl : 2021802. / 5521946. = 0.36614 Destroy NaCl : 2021810. / 5519712. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 1.15416904 Potential at right wall /kT = -1.16434662 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8362382 Potential at right wall /mV = -30.0993373 ________________________________________________________________________ Capacitance of left DL = 0.0348447612 Capacitance of right DL = 0.0345401823 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35162896 Capacitance of right DL [F/m2] = 3.32233228 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1423286 Adsorption of ion 1 on right wall = -3.89200776 Adsorption of ion 2 on left wall = -3.85065224 Adsorption of ion 2 on right wall = 5.20010885 ------------------------------------------------------------------------ net charge in left DL = -8.99298085 6.61282666 net charge in right DL = 9.09211662 -6.61282666 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.777629427 Relative adsorption of ion 1 on right wall = -0.58855433 Relative adsorption of ion 2 on left wall = -0.582300496 Relative adsorption of ion 2 on right wall = 0.786367029 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1845------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00660885689 Right electrode charge = -0.00660885689 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00786661145 Average electrode charge 2 = -0.00786661145 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339602 -0.510841 -0.509807 ________________________________________________________________________ Electrode charge exchange: 0.0780496891 Move Jump Cl: 0.93402 0.36978 Na: 0.93367 0.36947 ________________________________________________________________________ Create NaCl : 2027279. / 5536812. = 0.36615 Destroy NaCl : 2027278. / 5534927. = 0.36627 ________________________________________________________________________ Potential at left wall /kT = 1.15565043 Potential at right wall /kT = -1.16572208 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8745334 Potential at right wall /mV = -30.1348939 ________________________________________________________________________ Capacitance of left DL = 0.0398190152 Capacitance of right DL = 0.0394749855 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34733261 Capacitance of right DL [F/m2] = 3.31841221 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14666371 Adsorption of ion 1 on right wall = -3.8955562 Adsorption of ion 2 on left wall = -3.84814426 Adsorption of ion 2 on right wall = 5.19789508 ------------------------------------------------------------------------ net charge in left DL = -8.99480798 7.56653815 net charge in right DL = 9.09345128 -7.56653815 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.680187374 Relative adsorption of ion 1 on right wall = -0.51483996 Relative adsorption of ion 2 on left wall = -0.508573958 Relative adsorption of ion 2 on right wall = 0.686958154 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1850------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00752904942 Right electrode charge = -0.00752904942 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99924 ________________________________________________________________________ Average electrode charge 1 = 0.00786738666 Average electrode charge 2 = -0.00786738666 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339618 -0.510841 -0.509823 ________________________________________________________________________ Electrode charge exchange: 0.078031129 Move Jump Cl: 0.93401 0.36976 Na: 0.93365 0.36946 ________________________________________________________________________ Create NaCl : 2032680. / 5551709. = 0.36614 Destroy NaCl : 2032689. / 5550005. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15691441 Potential at right wall /kT = -1.16665204 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9072083 Potential at right wall /mV = -30.1589342 ________________________________________________________________________ Capacitance of left DL = 0.0453137049 Capacitance of right DL = 0.0449354875 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34367552 Capacitance of right DL [F/m2] = 3.31576704 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14618727 Adsorption of ion 1 on right wall = -3.89628457 Adsorption of ion 2 on left wall = -3.85055321 Adsorption of ion 2 on right wall = 5.19828702 ------------------------------------------------------------------------ net charge in left DL = -8.99674048 8.62007465 net charge in right DL = 9.09457159 -8.62007465 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.597000314 Relative adsorption of ion 1 on right wall = -0.452001257 Relative adsorption of ion 2 on left wall = -0.44669604 Relative adsorption of ion 2 on right wall = 0.603044316 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1855------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0088677167 Right electrode charge = -0.0088677167 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 192 -1.00 3.0000 1.5000 Na ion: 192 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99925 ________________________________________________________________________ Average electrode charge 1 = 0.00786724959 Average electrode charge 2 = -0.00786724959 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339623 -0.510841 -0.509827 ________________________________________________________________________ Electrode charge exchange: 0.0780361585 Move Jump Cl: 0.93401 0.36979 Na: 0.93365 0.36947 ________________________________________________________________________ Create NaCl : 2038092. / 5566721. = 0.36612 Destroy NaCl : 2038100. / 5564891. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15862626 Potential at right wall /kT = -1.16866762 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9514612 Potential at right wall /mV = -30.2110386 ________________________________________________________________________ Capacitance of left DL = 0.0532916411 Capacitance of right DL = 0.052833752 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33873527 Capacitance of right DL [F/m2] = 3.3100484 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14552944 Adsorption of ion 1 on right wall = -3.89591598 Adsorption of ion 2 on left wall = -3.85431694 Adsorption of ion 2 on right wall = 5.19744267 ------------------------------------------------------------------------ net charge in left DL = -8.99984638 10.1527266 net charge in right DL = 9.09335865 -10.1527266 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.50681257 Relative adsorption of ion 1 on right wall = -0.383731007 Relative adsorption of ion 2 on left wall = -0.37963368 Relative adsorption of ion 2 on right wall = 0.511925801 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1860------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00772080904 Right electrode charge = -0.00772080904 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 191 -1.00 3.0000 1.5000 Na ion: 191 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99975 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00786721552 Average electrode charge 2 = -0.00786721552 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339642 -0.510841 -0.509847 ________________________________________________________________________ Electrode charge exchange: 0.0780456604 Move Jump Cl: 0.93400 0.36978 Na: 0.93366 0.36948 ________________________________________________________________________ Create NaCl : 2043668. / 5581710. = 0.36614 Destroy NaCl : 2043677. / 5579947. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15886429 Potential at right wall /kT = -1.169034 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9576143 Potential at right wall /mV = -30.22051 ________________________________________________________________________ Capacitance of left DL = 0.0463896274 Capacitance of right DL = 0.0459860726 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33804951 Capacitance of right DL [F/m2] = 3.309011 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14237476 Adsorption of ion 1 on right wall = -3.89699581 Adsorption of ion 2 on left wall = -3.85711756 Adsorption of ion 2 on right wall = 5.1969298 ------------------------------------------------------------------------ net charge in left DL = -8.99949232 8.83962191 net charge in right DL = 9.09392561 -8.83962191 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581741482 Relative adsorption of ion 1 on right wall = -0.440855485 Relative adsorption of ion 2 on left wall = -0.436344178 Relative adsorption of ion 2 on right wall = 0.587913131 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1865------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00848888179 Right electrode charge = -0.00848888179 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 190 -1.00 3.0000 1.5000 Na ion: 190 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99976 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.0078664563 Average electrode charge 2 = -0.0078664563 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339660 -0.510841 -0.509865 ________________________________________________________________________ Electrode charge exchange: 0.0780299485 Move Jump Cl: 0.93399 0.36977 Na: 0.93367 0.36946 ________________________________________________________________________ Create NaCl : 2049129. / 5596604. = 0.36614 Destroy NaCl : 2049139. / 5594888. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15999655 Potential at right wall /kT = -1.16990321 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9868842 Potential at right wall /mV = -30.2429798 ________________________________________________________________________ Capacitance of left DL = 0.0509547228 Capacitance of right DL = 0.0505232413 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33479129 Capacitance of right DL [F/m2] = 3.30655248 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13982761 Adsorption of ion 1 on right wall = -3.89527784 Adsorption of ion 2 on left wall = -3.85828169 Adsorption of ion 2 on right wall = 5.19966388 ------------------------------------------------------------------------ net charge in left DL = -8.9981093 9.71899514 net charge in right DL = 9.09494173 -9.71899514 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.52884352 Relative adsorption of ion 1 on right wall = -0.400790183 Relative adsorption of ion 2 on left wall = -0.396983601 Relative adsorption of ion 2 on right wall = 0.535000152 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1870------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00567762367 Right electrode charge = -0.00567762367 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99972 Bulk concentration of Na = 0.99922 ________________________________________________________________________ Average electrode charge 1 = 0.00786412696 Average electrode charge 2 = -0.00786412696 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339576 -0.510841 -0.509780 ________________________________________________________________________ Electrode charge exchange: 0.0780354472 Move Jump Cl: 0.93399 0.36977 Na: 0.93367 0.36946 ________________________________________________________________________ Create NaCl : 2054600. / 5611539. = 0.36614 Destroy NaCl : 2054599. / 5609858. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.15807312 Potential at right wall /kT = -1.16824531 ------------------------------------------------------------------------ Potential at left wall /mV = 29.937162 Potential at right wall /mV = -30.2001216 ________________________________________________________________________ Capacitance of left DL = 0.0341366794 Capacitance of right DL = 0.0338394433 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34032998 Capacitance of right DL [F/m2] = 3.31124494 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13671196 Adsorption of ion 1 on right wall = -3.8920159 Adsorption of ion 2 on left wall = -3.85719651 Adsorption of ion 2 on right wall = 5.19991388 ------------------------------------------------------------------------ net charge in left DL = -8.99390846 6.50036109 net charge in right DL = 9.09192977 -6.50036109 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.79021948 Relative adsorption of ion 1 on right wall = -0.598738415 Relative adsorption of ion 2 on left wall = -0.593381884 Relative adsorption of ion 2 on right wall = 0.799942312 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1875------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0113049647 Right electrode charge = -0.0113049647 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99969 Bulk concentration of Na = 0.99918 ________________________________________________________________________ Average electrode charge 1 = 0.00786489903 Average electrode charge 2 = -0.00786489903 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339510 -0.510841 -0.509714 ________________________________________________________________________ Electrode charge exchange: 0.0780415585 Move Jump Cl: 0.93400 0.36978 Na: 0.93367 0.36947 ________________________________________________________________________ Create NaCl : 2060072. / 5626357. = 0.36615 Destroy NaCl : 2060059. / 5624984. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15858247 Potential at right wall /kT = -1.16886471 ------------------------------------------------------------------------ Potential at left wall /mV = 29.950329 Potential at right wall /mV = -30.2161336 ________________________________________________________________________ Capacitance of left DL = 0.0679411526 Capacitance of right DL = 0.0673434895 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33886148 Capacitance of right DL [F/m2] = 3.30949027 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13463557 Adsorption of ion 1 on right wall = -3.89093691 Adsorption of ion 2 on left wall = -3.86030608 Adsorption of ion 2 on right wall = 5.2021745 ------------------------------------------------------------------------ net charge in left DL = -8.99494166 12.9431531 net charge in right DL = 9.09311141 -12.9431531 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.396706702 Relative adsorption of ion 1 on right wall = -0.300617391 Relative adsorption of ion 2 on left wall = -0.298250824 Relative adsorption of ion 2 on right wall = 0.401924821 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1880------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0093773393 Right electrode charge = -0.0093773393 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 210 -1.00 3.0000 1.5000 Na ion: 210 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99964 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00786380152 Average electrode charge 2 = -0.00786380152 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339404 -0.510841 -0.509609 ________________________________________________________________________ Electrode charge exchange: 0.0780396965 Move Jump Cl: 0.93399 0.36978 Na: 0.93366 0.36947 ________________________________________________________________________ Create NaCl : 2065570. / 5641257. = 0.36615 Destroy NaCl : 2065560. / 5640008. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15881908 Potential at right wall /kT = -1.16919873 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9564456 Potential at right wall /mV = -30.2247683 ________________________________________________________________________ Capacitance of left DL = 0.0563449045 Capacitance of right DL = 0.0558446983 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33817974 Capacitance of right DL [F/m2] = 3.3085448 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14041607 Adsorption of ion 1 on right wall = -3.88940818 Adsorption of ion 2 on left wall = -3.85307684 Adsorption of ion 2 on right wall = 5.20322817 ------------------------------------------------------------------------ net charge in left DL = -8.99349291 10.7361979 net charge in right DL = 9.09263635 -10.7361979 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.478792968 Relative adsorption of ion 1 on right wall = -0.362270536 Relative adsorption of ion 2 on left wall = -0.358886532 Relative adsorption of ion 2 on right wall = 0.484643465 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1885------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0120604013 Right electrode charge = -0.0120604013 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99957 Bulk concentration of Na = 0.99905 ________________________________________________________________________ Average electrode charge 1 = 0.00786454496 Average electrode charge 2 = -0.00786454496 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339261 -0.510841 -0.509465 ________________________________________________________________________ Electrode charge exchange: 0.0780455698 Move Jump Cl: 0.93399 0.36980 Na: 0.93367 0.36948 ________________________________________________________________________ Create NaCl : 2071039. / 5656267. = 0.36615 Destroy NaCl : 2071046. / 5654960. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15837962 Potential at right wall /kT = -1.1686839 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9450852 Potential at right wall /mV = -30.2114596 ________________________________________________________________________ Capacitance of left DL = 0.0724939067 Capacitance of right DL = 0.0718547281 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33944617 Capacitance of right DL [F/m2] = 3.31000228 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1422923 Adsorption of ion 1 on right wall = -3.88348679 Adsorption of ion 2 on left wall = -3.85096482 Adsorption of ion 2 on right wall = 5.21046033 ------------------------------------------------------------------------ net charge in left DL = -8.99325713 13.8080591 net charge in right DL = 9.09394712 -13.8080591 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.37241239 Relative adsorption of ion 1 on right wall = -0.281247839 Relative adsorption of ion 2 on left wall = -0.27889255 Relative adsorption of ion 2 on right wall = 0.377349219 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1890------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00472688898 Right electrode charge = -0.00472688898 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 197 -1.00 3.0000 1.5000 Na ion: 197 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99954 Bulk concentration of Na = 0.99902 ________________________________________________________________________ Average electrode charge 1 = 0.00786363092 Average electrode charge 2 = -0.00786363092 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339190 -0.510841 -0.509394 ________________________________________________________________________ Electrode charge exchange: 0.0780387429 Move Jump Cl: 0.93399 0.36980 Na: 0.93367 0.36949 ________________________________________________________________________ Create NaCl : 2076559. / 5671185. = 0.36616 Destroy NaCl : 2076562. / 5669982. = 0.36624 ________________________________________________________________________ Potential at left wall /kT = 1.15744856 Potential at right wall /kT = -1.16757402 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9210165 Potential at right wall /mV = -30.1827684 ________________________________________________________________________ Capacitance of left DL = 0.0284357284 Capacitance of right DL = 0.0281891273 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34213245 Capacitance of right DL [F/m2] = 3.31314871 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14445685 Adsorption of ion 1 on right wall = -3.87683746 Adsorption of ion 2 on left wall = -3.84723075 Adsorption of ion 2 on right wall = 5.21549223 ------------------------------------------------------------------------ net charge in left DL = -8.9916876 5.41185661 net charge in right DL = 9.09232969 -5.41185661 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.950590014 Relative adsorption of ion 1 on right wall = -0.716359973 Relative adsorption of ion 2 on left wall = -0.71088926 Relative adsorption of ion 2 on right wall = 0.963715892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1895------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00854336078 Right electrode charge = -0.00854336078 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 194 -1.00 3.0000 1.5000 Na ion: 194 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99954 Bulk concentration of Na = 0.99903 ________________________________________________________________________ Average electrode charge 1 = 0.00786472661 Average electrode charge 2 = -0.00786472661 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339203 -0.510841 -0.509407 ________________________________________________________________________ Electrode charge exchange: 0.0780428296 Move Jump Cl: 0.93398 0.36981 Na: 0.93367 0.36949 ________________________________________________________________________ Create NaCl : 2081967. / 5686221. = 0.36614 Destroy NaCl : 2081973. / 5684883. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15875761 Potential at right wall /kT = -1.16885672 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9548567 Potential at right wall /mV = -30.2159271 ________________________________________________________________________ Capacitance of left DL = 0.0513365642 Capacitance of right DL = 0.0508930081 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33835682 Capacitance of right DL [F/m2] = 3.30951288 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14391133 Adsorption of ion 1 on right wall = -3.87317561 Adsorption of ion 2 on left wall = -3.85026087 Adsorption of ion 2 on right wall = 5.22075307 ------------------------------------------------------------------------ net charge in left DL = -8.9941722 9.78136861 net charge in right DL = 9.09392868 -9.78136861 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.525888711 Relative adsorption of ion 1 on right wall = -0.395974813 Relative adsorption of ion 2 on left wall = -0.393632121 Relative adsorption of ion 2 on right wall = 0.53374464 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1900------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00433343414 Right electrode charge = -0.00433343414 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99954 Bulk concentration of Na = 0.99902 ________________________________________________________________________ Average electrode charge 1 = 0.00786315066 Average electrode charge 2 = -0.00786315066 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339205 -0.510841 -0.509409 ________________________________________________________________________ Electrode charge exchange: 0.0780421782 Move Jump Cl: 0.93398 0.36979 Na: 0.93367 0.36948 ________________________________________________________________________ Create NaCl : 2087411. / 5701201. = 0.36614 Destroy NaCl : 2087431. / 5699836. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.15840354 Potential at right wall /kT = -1.1683131 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9457038 Potential at right wall /mV = -30.201874 ________________________________________________________________________ Capacitance of left DL = 0.0260473158 Capacitance of right DL = 0.0258263842 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33937719 Capacitance of right DL [F/m2] = 3.31105281 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13840063 Adsorption of ion 1 on right wall = -3.86813998 Adsorption of ion 2 on left wall = -3.85299759 Adsorption of ion 2 on right wall = 5.22444539 ------------------------------------------------------------------------ net charge in left DL = -8.99139822 4.96138672 net charge in right DL = 9.09258537 -4.96138672 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.03567831 Relative adsorption of ion 1 on right wall = -0.779648958 Relative adsorption of ion 2 on left wall = -0.776596909 Relative adsorption of ion 2 on right wall = 1.0530212 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1905------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00714802523 Right electrode charge = -0.00714802523 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 199 -1.00 3.0000 1.5000 Na ion: 199 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99950 Bulk concentration of Na = 0.99899 ________________________________________________________________________ Average electrode charge 1 = 0.00786262301 Average electrode charge 2 = -0.00786262301 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339117 -0.510841 -0.509322 ________________________________________________________________________ Electrode charge exchange: 0.0780386774 Move Jump Cl: 0.93398 0.36980 Na: 0.93367 0.36947 ________________________________________________________________________ Create NaCl : 2092918. / 5716212. = 0.36614 Destroy NaCl : 2092919. / 5714902. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.1588265 Potential at right wall /kT = -1.16860101 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9566375 Potential at right wall /mV = -30.2093167 ________________________________________________________________________ Capacitance of left DL = 0.0429495197 Capacitance of right DL = 0.0425902778 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33815837 Capacitance of right DL [F/m2] = 3.31023706 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14077435 Adsorption of ion 1 on right wall = -3.86611988 Adsorption of ion 2 on left wall = -3.85121256 Adsorption of ion 2 on right wall = 5.22521491 ------------------------------------------------------------------------ net charge in left DL = -8.99198691 8.18383671 net charge in right DL = 9.09133478 -8.18383671 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.628161891 Relative adsorption of ion 1 on right wall = -0.472409215 Relative adsorption of ion 2 on left wall = -0.470587659 Relative adsorption of ion 2 on right wall = 0.638479859 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1910------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0124155709 Right electrode charge = -0.0124155709 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 204 -1.00 3.0000 1.5000 Na ion: 204 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99952 Bulk concentration of Na = 0.99901 ________________________________________________________________________ Average electrode charge 1 = 0.00786162364 Average electrode charge 2 = -0.00786162364 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339164 -0.510841 -0.509368 ________________________________________________________________________ Electrode charge exchange: 0.078033281 Move Jump Cl: 0.93398 0.36979 Na: 0.93366 0.36946 ________________________________________________________________________ Create NaCl : 2098357. / 5731048. = 0.36614 Destroy NaCl : 2098353. / 5729994. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.1584553 Potential at right wall /kT = -1.16819107 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9470417 Potential at right wall /mV = -30.1987195 ________________________________________________________________________ Capacitance of left DL = 0.0746239209 Capacitance of right DL = 0.0740020011 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33922799 Capacitance of right DL [F/m2] = 3.31139869 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13482069 Adsorption of ion 1 on right wall = -3.86497696 Adsorption of ion 2 on left wall = -3.85615862 Adsorption of ion 2 on right wall = 5.22454548 ------------------------------------------------------------------------ net charge in left DL = -8.99097931 14.2146959 net charge in right DL = 9.08952244 -14.2146959 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.361233244 Relative adsorption of ion 1 on right wall = -0.271900081 Relative adsorption of ion 2 on left wall = -0.271279713 Relative adsorption of ion 2 on right wall = 0.367545359 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1915------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00734381443 Right electrode charge = -0.00734381443 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99958 Bulk concentration of Na = 0.99907 ________________________________________________________________________ Average electrode charge 1 = 0.00786100914 Average electrode charge 2 = -0.00786100914 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339282 -0.510841 -0.509487 ________________________________________________________________________ Electrode charge exchange: 0.0780299446 Move Jump Cl: 0.93397 0.36979 Na: 0.93365 0.36947 ________________________________________________________________________ Create NaCl : 2103856. / 5746107. = 0.36614 Destroy NaCl : 2103838. / 5744987. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15818655 Potential at right wall /kT = -1.16777949 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9400943 Potential at right wall /mV = -30.1880799 ________________________________________________________________________ Capacitance of left DL = 0.0441503173 Capacitance of right DL = 0.0437876363 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34000284 Capacitance of right DL [F/m2] = 3.31256577 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1343018 Adsorption of ion 1 on right wall = -3.87199472 Adsorption of ion 2 on left wall = -3.85533964 Adsorption of ion 2 on right wall = 5.21711362 ------------------------------------------------------------------------ net charge in left DL = -8.98964145 8.40799748 net charge in right DL = 9.08910834 -8.40799748 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.610645021 Relative adsorption of ion 1 on right wall = -0.460513306 Relative adsorption of ion 2 on left wall = -0.458532445 Relative adsorption of ion 2 on right wall = 0.620494194 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1920------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00765173038 Right electrode charge = -0.00765173038 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99958 Bulk concentration of Na = 0.99908 ________________________________________________________________________ Average electrode charge 1 = 0.00786143455 Average electrode charge 2 = -0.00786143455 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339295 -0.510841 -0.509500 ________________________________________________________________________ Electrode charge exchange: 0.0780340568 Move Jump Cl: 0.93397 0.36978 Na: 0.93366 0.36948 ________________________________________________________________________ Create NaCl : 2109360. / 5761179. = 0.36613 Destroy NaCl : 2109371. / 5759868. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.15872464 Potential at right wall /kT = -1.16787426 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9540044 Potential at right wall /mV = -30.1905297 ________________________________________________________________________ Capacitance of left DL = 0.0459801166 Capacitance of right DL = 0.0456198891 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33845181 Capacitance of right DL [F/m2] = 3.31229697 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1336818 Adsorption of ion 1 on right wall = -3.87204017 Adsorption of ion 2 on left wall = -3.85723097 Adsorption of ion 2 on right wall = 5.21704325 ------------------------------------------------------------------------ net charge in left DL = -8.99091277 8.76053316 net charge in right DL = 9.08908341 -8.76053316 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.586001069 Relative adsorption of ion 1 on right wall = -0.441986817 Relative adsorption of ion 2 on left wall = -0.440296373 Relative adsorption of ion 2 on right wall = 0.595516637 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1925------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00751086348 Right electrode charge = -0.00751086348 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99955 Bulk concentration of Na = 0.99907 ________________________________________________________________________ Average electrode charge 1 = 0.00786117312 Average electrode charge 2 = -0.00786117312 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339256 -0.510841 -0.509460 ________________________________________________________________________ Electrode charge exchange: 0.0780306117 Move Jump Cl: 0.93397 0.36980 Na: 0.93368 0.36949 ________________________________________________________________________ Create NaCl : 2114845. / 5776182. = 0.36613 Destroy NaCl : 2114844. / 5774753. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.16025237 Potential at right wall /kT = -1.1692035 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9934975 Potential at right wall /mV = -30.2248917 ________________________________________________________________________ Capacitance of left DL = 0.0450742029 Capacitance of right DL = 0.0447291262 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33405599 Capacitance of right DL [F/m2] = 3.3085313 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13886028 Adsorption of ion 1 on right wall = -3.87000223 Adsorption of ion 2 on left wall = -3.85503715 Adsorption of ion 2 on right wall = 5.21726969 ------------------------------------------------------------------------ net charge in left DL = -8.99389743 8.59925341 net charge in right DL = 9.08727192 -8.59925341 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.597593772 Relative adsorption of ion 1 on right wall = -0.450039329 Relative adsorption of ion 2 on left wall = -0.448299052 Relative adsorption of ion 2 on right wall = 0.606711937 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1930------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00964650721 Right electrode charge = -0.00964650721 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99961 Bulk concentration of Na = 0.99911 ________________________________________________________________________ Average electrode charge 1 = 0.00786174141 Average electrode charge 2 = -0.00786174141 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339355 -0.510841 -0.509560 ________________________________________________________________________ Electrode charge exchange: 0.0780344756 Move Jump Cl: 0.93396 0.36980 Na: 0.93368 0.36947 ________________________________________________________________________ Create NaCl : 2120333. / 5791223. = 0.36613 Destroy NaCl : 2120340. / 5789658. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.16177309 Potential at right wall /kT = -1.17088202 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0328095 Potential at right wall /mV = -30.2682829 ________________________________________________________________________ Capacitance of left DL = 0.0578148537 Capacitance of right DL = 0.0573650806 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.32969182 Capacitance of right DL [F/m2] = 3.30378834 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14077775 Adsorption of ion 1 on right wall = -3.8771305 Adsorption of ion 2 on left wall = -3.8534951 Adsorption of ion 2 on right wall = 5.21296971 ------------------------------------------------------------------------ net charge in left DL = -8.99427285 11.0443706 net charge in right DL = 9.09010021 -11.0443706 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.465465885 Relative adsorption of ion 1 on right wall = -0.35105038 Relative adsorption of ion 2 on left wall = -0.348910339 Relative adsorption of ion 2 on right wall = 0.472002424 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1935------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00839873333 Right electrode charge = -0.00839873333 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99959 Bulk concentration of Na = 0.99913 ________________________________________________________________________ Average electrode charge 1 = 0.00786400769 Average electrode charge 2 = -0.00786400769 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339351 -0.510841 -0.509555 ________________________________________________________________________ Electrode charge exchange: 0.0780496428 Move Jump Cl: 0.93395 0.36980 Na: 0.93368 0.36947 ________________________________________________________________________ Create NaCl : 2125838. / 5806258. = 0.36613 Destroy NaCl : 2125836. / 5804691. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.16245898 Potential at right wall /kT = -1.17181534 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0505403 Potential at right wall /mV = -30.2924099 ________________________________________________________________________ Capacitance of left DL = 0.0503068132 Capacitance of right DL = 0.0499051386 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.32772719 Capacitance of right DL [F/m2] = 3.30115697 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14533457 Adsorption of ion 1 on right wall = -3.87789588 Adsorption of ion 2 on left wall = -3.85458979 Adsorption of ion 2 on right wall = 5.21239061 ------------------------------------------------------------------------ net charge in left DL = -8.99992436 9.61578337 net charge in right DL = 9.09028649 -9.61578337 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.535092604 Relative adsorption of ion 1 on right wall = -0.403284447 Relative adsorption of ion 2 on left wall = -0.400860714 Relative adsorption of ion 2 on right wall = 0.542066144 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1940------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00520715628 Right electrode charge = -0.00520715628 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99957 Bulk concentration of Na = 0.99910 ________________________________________________________________________ Average electrode charge 1 = 0.00786335867 Average electrode charge 2 = -0.00786335867 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339301 -0.510841 -0.509506 ________________________________________________________________________ Electrode charge exchange: 0.0780364098 Move Jump Cl: 0.93396 0.36979 Na: 0.93368 0.36947 ________________________________________________________________________ Create NaCl : 2131394. / 5821325. = 0.36614 Destroy NaCl : 2131399. / 5819875. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.16209275 Potential at right wall /kT = -1.17143556 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0410728 Potential at right wall /mV = -30.2825922 ________________________________________________________________________ Capacitance of left DL = 0.0311997039 Capacitance of right DL = 0.0309508701 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.32877593 Capacitance of right DL [F/m2] = 3.30222721 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14646277 Adsorption of ion 1 on right wall = -3.87935523 Adsorption of ion 2 on left wall = -3.85209366 Adsorption of ion 2 on right wall = 5.21046059 ------------------------------------------------------------------------ net charge in left DL = -8.99855643 5.96171885 net charge in right DL = 9.08981582 -5.96171885 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.863251505 Relative adsorption of ion 1 on right wall = -0.650710865 Relative adsorption of ion 2 on left wall = -0.646138095 Relative adsorption of ion 2 on right wall = 0.873986299 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1945------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00606585509 Right electrode charge = -0.00606585509 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 187 -1.00 3.0000 1.5000 Na ion: 187 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99965 Bulk concentration of Na = 0.99918 ________________________________________________________________________ Average electrode charge 1 = 0.00786142368 Average electrode charge 2 = -0.00786142368 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339462 -0.510841 -0.509666 ________________________________________________________________________ Electrode charge exchange: 0.0780309529 Move Jump Cl: 0.93395 0.36979 Na: 0.93367 0.36947 ________________________________________________________________________ Create NaCl : 2136798. / 5836345. = 0.36612 Destroy NaCl : 2136811. / 5834651. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.16153707 Potential at right wall /kT = -1.1707662 ------------------------------------------------------------------------ Potential at left wall /mV = 30.026708 Potential at right wall /mV = -30.2652887 ________________________________________________________________________ Capacitance of left DL = 0.0363621546 Capacitance of right DL = 0.0360755124 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33036842 Capacitance of right DL [F/m2] = 3.30411518 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14030993 Adsorption of ion 1 on right wall = -3.8846653 Adsorption of ion 2 on left wall = -3.85511045 Adsorption of ion 2 on right wall = 5.20324302 ------------------------------------------------------------------------ net charge in left DL = -8.99542038 6.94485064 net charge in right DL = 9.08790832 -6.94485064 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.740161337 Relative adsorption of ion 1 on right wall = -0.559359086 Relative adsorption of ion 2 on left wall = -0.555103436 Relative adsorption of ion 2 on right wall = 0.749223172 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1950------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100268843 Right electrode charge = -0.0100268843 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.99968 Bulk concentration of Na = 0.99922 ________________________________________________________________________ Average electrode charge 1 = 0.00786195258 Average electrode charge 2 = -0.00786195258 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339536 -0.510841 -0.509740 ________________________________________________________________________ Electrode charge exchange: 0.078034803 Move Jump Cl: 0.93394 0.36978 Na: 0.93368 0.36948 ________________________________________________________________________ Create NaCl : 2142291. / 5851437. = 0.36611 Destroy NaCl : 2142278. / 5849510. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.16168097 Potential at right wall /kT = -1.17050616 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0304281 Potential at right wall /mV = -30.2585665 ________________________________________________________________________ Capacitance of left DL = 0.0600993507 Capacitance of right DL = 0.0596462238 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.32995586 Capacitance of right DL [F/m2] = 3.30484923 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14237453 Adsorption of ion 1 on right wall = -3.8904197 Adsorption of ion 2 on left wall = -3.85490475 Adsorption of ion 2 on right wall = 5.19682683 ------------------------------------------------------------------------ net charge in left DL = -8.99727928 11.4798677 net charge in right DL = 9.08724653 -11.4798677 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.447947195 Relative adsorption of ion 1 on right wall = -0.338890639 Relative adsorption of ion 2 on left wall = -0.335796966 Relative adsorption of ion 2 on right wall = 0.452690481 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1955------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00920778774 Right electrode charge = -0.00920778774 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 193 -1.00 3.0000 1.5000 Na ion: 193 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00786030223 Average electrode charge 2 = -0.00786030223 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339630 -0.510841 -0.509835 ________________________________________________________________________ Electrode charge exchange: 0.0780313785 Move Jump Cl: 0.93394 0.36978 Na: 0.93368 0.36948 ________________________________________________________________________ Create NaCl : 2147698. / 5866446. = 0.36610 Destroy NaCl : 2147705. / 5864330. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 1.16137059 Potential at right wall /kT = -1.17042818 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0224045 Potential at right wall /mV = -30.2565508 ________________________________________________________________________ Capacitance of left DL = 0.0552045821 Capacitance of right DL = 0.0547773706 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33084581 Capacitance of right DL [F/m2] = 3.3050694 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14576423 Adsorption of ion 1 on right wall = -3.89350448 Adsorption of ion 2 on left wall = -3.84907739 Adsorption of ion 2 on right wall = 5.19249115 ------------------------------------------------------------------------ net charge in left DL = -8.99484162 10.5420769 net charge in right DL = 9.08599563 -10.5420769 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.488116744 Relative adsorption of ion 1 on right wall = -0.369329927 Relative adsorption of ion 2 on left wall = -0.365115664 Relative adsorption of ion 2 on right wall = 0.492549164 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1960------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0120124138 Right electrode charge = -0.0120124138 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 180 -1.00 3.0000 1.5000 Na ion: 180 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99970 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00786032644 Average electrode charge 2 = -0.00786032644 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339560 -0.510841 -0.509765 ________________________________________________________________________ Electrode charge exchange: 0.0780410121 Move Jump Cl: 0.93396 0.36978 Na: 0.93368 0.36948 ________________________________________________________________________ Create NaCl : 2153111. / 5881372. = 0.36609 Destroy NaCl : 2153131. / 5879424. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.16127169 Potential at right wall /kT = -1.17005079 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0198478 Potential at right wall /mV = -30.2467949 ________________________________________________________________________ Capacitance of left DL = 0.0720256353 Capacitance of right DL = 0.0714852143 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33112948 Capacitance of right DL [F/m2] = 3.30613543 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14657034 Adsorption of ion 1 on right wall = -3.89358983 Adsorption of ion 2 on left wall = -3.84793495 Adsorption of ion 2 on right wall = 5.19253942 ------------------------------------------------------------------------ net charge in left DL = -8.99450528 13.7531178 net charge in right DL = 9.08612924 -13.7531178 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.374211171 Relative adsorption of ion 1 on right wall = -0.283105974 Relative adsorption of ion 2 on left wall = -0.279786372 Relative adsorption of ion 2 on right wall = 0.377553619 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1965------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00751164874 Right electrode charge = -0.00751164874 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 202 -1.00 3.0000 1.5000 Na ion: 202 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99968 Bulk concentration of Na = 0.99921 ________________________________________________________________________ Average electrode charge 1 = 0.0078593191 Average electrode charge 2 = -0.0078593191 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339525 -0.510841 -0.509730 ________________________________________________________________________ Electrode charge exchange: 0.078031819 Move Jump Cl: 0.93397 0.36979 Na: 0.93368 0.36949 ________________________________________________________________________ Create NaCl : 2158602. / 5896216. = 0.36610 Destroy NaCl : 2158600. / 5894533. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.16117048 Potential at right wall /kT = -1.16987124 ------------------------------------------------------------------------ Potential at left wall /mV = 30.0172314 Potential at right wall /mV = -30.2421532 ________________________________________________________________________ Capacitance of left DL = 0.0450432727 Capacitance of right DL = 0.0447082696 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33141983 Capacitance of right DL [F/m2] = 3.30664286 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14793656 Adsorption of ion 1 on right wall = -3.89963876 Adsorption of ion 2 on left wall = -3.84553447 Adsorption of ion 2 on right wall = 5.1851316 ------------------------------------------------------------------------ net charge in left DL = -8.99347103 8.60015246 net charge in right DL = 9.08477036 -8.60015246 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.598586663 Relative adsorption of ion 1 on right wall = -0.453438329 Relative adsorption of ion 2 on left wall = -0.447147244 Relative adsorption of ion 2 on right wall = 0.602911591 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1970------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00743250437 Right electrode charge = -0.00743250437 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 200 -1.00 3.0000 1.5000 Na ion: 200 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99966 Bulk concentration of Na = 0.99918 ________________________________________________________________________ Average electrode charge 1 = 0.00785807306 Average electrode charge 2 = -0.00785807306 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339483 -0.510841 -0.509687 ________________________________________________________________________ Electrode charge exchange: 0.0780279732 Move Jump Cl: 0.93396 0.36979 Na: 0.93369 0.36949 ________________________________________________________________________ Create NaCl : 2164173. / 5911204. = 0.36611 Destroy NaCl : 2164173. / 5909641. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.1615361 Potential at right wall /kT = -1.17004147 ------------------------------------------------------------------------ Potential at left wall /mV = 30.026683 Potential at right wall /mV = -30.246554 ________________________________________________________________________ Capacitance of left DL = 0.0445546579 Capacitance of right DL = 0.0442307771 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.3303712 Capacitance of right DL [F/m2] = 3.30616175 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.14519219 Adsorption of ion 1 on right wall = -3.89895658 Adsorption of ion 2 on left wall = -3.84601188 Adsorption of ion 2 on right wall = 5.18565948 ------------------------------------------------------------------------ net charge in left DL = -8.99120408 8.50953937 net charge in right DL = 9.08461606 -8.50953937 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.604638156 Relative adsorption of ion 1 on right wall = -0.458186561 Relative adsorption of ion 2 on left wall = -0.451964756 Relative adsorption of ion 2 on right wall = 0.609393676 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1975------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00496567665 Right electrode charge = -0.00496567665 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99971 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00785639462 Average electrode charge 2 = -0.00785639462 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339577 -0.510841 -0.509782 ________________________________________________________________________ Electrode charge exchange: 0.0780282164 Move Jump Cl: 0.93395 0.36979 Na: 0.93369 0.36950 ________________________________________________________________________ Create NaCl : 2169630. / 5926265. = 0.36610 Destroy NaCl : 2169641. / 5924562. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.15959177 Potential at right wall /kT = -1.16808112 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9764203 Potential at right wall /mV = -30.1958771 ________________________________________________________________________ Capacitance of left DL = 0.0298170014 Capacitance of right DL = 0.0296002981 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33595536 Capacitance of right DL [F/m2] = 3.31171039 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.1403326 Adsorption of ion 1 on right wall = -3.89781213 Adsorption of ion 2 on left wall = -3.84828279 Adsorption of ion 2 on right wall = 5.1834681 ------------------------------------------------------------------------ net charge in left DL = -8.98861539 5.68524671 net charge in right DL = 9.08128023 -5.68524671 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.904152953 Relative adsorption of ion 1 on right wall = -0.685601229 Relative adsorption of ion 2 on left wall = -0.676889322 Relative adsorption of ion 2 on right wall = 0.911740222 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1980------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00856527801 Right electrode charge = -0.00856527801 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 205 -1.00 3.0000 1.5000 Na ion: 205 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99972 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.0078563416 Average electrode charge 2 = -0.0078563416 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339581 -0.510841 -0.509785 ________________________________________________________________________ Electrode charge exchange: 0.0780259566 Move Jump Cl: 0.93396 0.36979 Na: 0.93370 0.36950 ________________________________________________________________________ Create NaCl : 2175192. / 5941214. = 0.36612 Destroy NaCl : 2175187. / 5939522. = 0.36622 ________________________________________________________________________ Potential at left wall /kT = 1.15752645 Potential at right wall /kT = -1.16614804 ------------------------------------------------------------------------ Potential at left wall /mV = 29.92303 Potential at right wall /mV = -30.1459055 ________________________________________________________________________ Capacitance of left DL = 0.0515230062 Capacitance of right DL = 0.0511420849 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34190755 Capacitance of right DL [F/m2] = 3.31720007 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13727855 Adsorption of ion 1 on right wall = -3.89762011 Adsorption of ion 2 on left wall = -3.84890164 Adsorption of ion 2 on right wall = 5.18347428 ------------------------------------------------------------------------ net charge in left DL = -8.98618019 9.80646184 net charge in right DL = 9.08109439 -9.80646184 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.523866674 Relative adsorption of ion 1 on right wall = -0.397454267 Relative adsorption of ion 2 on left wall = -0.392486271 Relative adsorption of ion 2 on right wall = 0.528577418 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1985------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00785019912 Right electrode charge = -0.00785019912 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99974 Bulk concentration of Na = 0.99924 ________________________________________________________________________ Average electrode charge 1 = 0.00785673618 Average electrode charge 2 = -0.00785673618 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339613 -0.510841 -0.509818 ________________________________________________________________________ Electrode charge exchange: 0.0780267826 Move Jump Cl: 0.93396 0.36978 Na: 0.93369 0.36951 ________________________________________________________________________ Create NaCl : 2180677. / 5956163. = 0.36612 Destroy NaCl : 2180688. / 5954722. = 0.36621 ________________________________________________________________________ Potential at left wall /kT = 1.15860838 Potential at right wall /kT = -1.16731918 ------------------------------------------------------------------------ Potential at left wall /mV = 29.9509989 Potential at right wall /mV = -30.1761804 ________________________________________________________________________ Capacitance of left DL = 0.0471774715 Capacitance of right DL = 0.0468254225 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.33878681 Capacitance of right DL [F/m2] = 3.31387203 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13261649 Adsorption of ion 1 on right wall = -3.89708279 Adsorption of ion 2 on left wall = -3.8531575 Adsorption of ion 2 on right wall = 5.18686269 ------------------------------------------------------------------------ net charge in left DL = -8.985774 8.98776175 net charge in right DL = 9.08394548 -8.98776175 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.571067262 Relative adsorption of ion 1 on right wall = -0.433598809 Relative adsorption of ion 2 on left wall = -0.428711576 Relative adsorption of ion 2 on right wall = 0.577102824 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1990------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00727523782 Right electrode charge = -0.00727523782 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 201 -1.00 3.0000 1.5000 Na ion: 201 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99975 Bulk concentration of Na = 0.99926 ________________________________________________________________________ Average electrode charge 1 = 0.00785831058 Average electrode charge 2 = -0.00785831058 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339646 -0.510841 -0.509850 ________________________________________________________________________ Electrode charge exchange: 0.0780344343 Move Jump Cl: 0.93397 0.36979 Na: 0.93369 0.36951 ________________________________________________________________________ Create NaCl : 2186118. / 5971257. = 0.36611 Destroy NaCl : 2186117. / 5969657. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15588971 Potential at right wall /kT = -1.16447989 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8807191 Potential at right wall /mV = -30.1027823 ________________________________________________________________________ Capacitance of left DL = 0.0438249519 Capacitance of right DL = 0.0435016626 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.34663968 Capacitance of right DL [F/m2] = 3.32195207 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.12991051 Adsorption of ion 1 on right wall = -3.89816792 Adsorption of ion 2 on left wall = -3.85667909 Adsorption of ion 2 on right wall = 5.18489256 ------------------------------------------------------------------------ net charge in left DL = -8.9865896 8.32948352 net charge in right DL = 9.08306049 -8.32948352 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.615873781 Relative adsorption of ion 1 on right wall = -0.467996355 Relative adsorption of ion 2 on left wall = -0.463015393 Relative adsorption of ion 2 on right wall = 0.622474677 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1995------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00464258533 Right electrode charge = -0.00464258533 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 189 -1.00 3.0000 1.5000 Na ion: 189 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99973 Bulk concentration of Na = 0.99923 ________________________________________________________________________ Average electrode charge 1 = 0.00785833417 Average electrode charge 2 = -0.00785833417 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339597 -0.510841 -0.509802 ________________________________________________________________________ Electrode charge exchange: 0.078047026 Move Jump Cl: 0.93398 0.36979 Na: 0.93369 0.36952 ________________________________________________________________________ Create NaCl : 2191650. / 5986207. = 0.36612 Destroy NaCl : 2191661. / 5984818. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15421546 Potential at right wall /kT = -1.16297265 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8374383 Potential at right wall /mV = -30.063819 ________________________________________________________________________ Capacitance of left DL = 0.0280068109 Capacitance of right DL = 0.0277959195 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35149415 Capacitance of right DL [F/m2] = 3.32625739 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13022551 Adsorption of ion 1 on right wall = -3.90069112 Adsorption of ion 2 on left wall = -3.85535817 Adsorption of ion 2 on right wall = 5.18144826 ------------------------------------------------------------------------ net charge in left DL = -8.98558368 5.31533662 net charge in right DL = 9.08213938 -5.31533662 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.96517415 Relative adsorption of ion 1 on right wall = -0.733855896 Relative adsorption of ion 2 on left wall = -0.725327189 Relative adsorption of ion 2 on right wall = 0.974810935 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 2000------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101509606 Right electrode charge = -0.0101509606 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 195 -1.00 3.0000 1.5000 Na ion: 195 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99966 Bulk concentration of Na = 0.99916 ________________________________________________________________________ Average electrode charge 1 = 0.00785828649 Average electrode charge 2 = -0.00785828649 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.340636 -15.339460 -0.510841 -0.509665 ________________________________________________________________________ Electrode charge exchange: 0.0780544195 Move Jump Cl: 0.93397 0.36980 Na: 0.93370 0.36951 ________________________________________________________________________ Create NaCl : 2197202. / 6001140. = 0.36613 Destroy NaCl : 2197207. / 5999972. = 0.36620 ________________________________________________________________________ Potential at left wall /kT = 1.15353745 Potential at right wall /kT = -1.16221542 ------------------------------------------------------------------------ Potential at left wall /mV = 29.8199111 Potential at right wall /mV = -30.0442439 ________________________________________________________________________ Capacitance of left DL = 0.06127257 Capacitance of right DL = 0.0608150632 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 3.35346405 Capacitance of right DL [F/m2] = 3.32842458 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.13169159 Adsorption of ion 1 on right wall = -3.89717191 Adsorption of ion 2 on left wall = -3.85279407 Adsorption of ion 2 on right wall = 5.1849456 ------------------------------------------------------------------------ net charge in left DL = -8.98448566 11.6219237 net charge in right DL = 9.08211751 -11.6219237 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.441552681 Relative adsorption of ion 1 on right wall = -0.335329331 Relative adsorption of ion 2 on left wall = -0.331510872 Relative adsorption of ion 2 on right wall = 0.446134884 ________________________________________________________________________ End of simulation