Start MC Double layer 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 247.084729 net charge on right wall /e = -247.084729 net charge on walls /e (starting) = 0. Initial sigma = 0.164695165 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 1 1 -1.06 -15.8897954 1 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 1 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00573926546 Right electrode charge = -0.00573926546 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 233 -1.00 3.0000 1.5000 Na ion: 233 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76467 Bulk concentration of Na = 0.76841 ________________________________________________________________________ Average electrode charge 1 = 0.00850562236 Average electrode charge 2 = -0.00850562236 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.358064 -1.060000 -0.528269 ________________________________________________________________________ Electrode charge exchange: 0.0659016393 Move Jump Cl: 0.94311 0.40403 Na: 0.93882 0.39679 ________________________________________________________________________ Create NaCl : 5850. / 14837. = 0.39428 Destroy NaCl : 5917. / 15037. = 0.39350 ________________________________________________________________________ Potential at left wall /kT = 1.62572798 Potential at right wall /kT = -1.5320856 ------------------------------------------------------------------------ Potential at left wall /mV = 42.0264325 Potential at right wall /mV = -39.6056984 ________________________________________________________________________ Capacitance of left DL = 0.0245809739 Capacitance of right DL = 0.026083384 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 23.7945488 Capacitance of right DL [F/m2] = 25.248892 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.58095694 Adsorption of ion 1 on right wall = -3.57247639 Adsorption of ion 2 on left wall = -6.89401907 Adsorption of ion 2 on right wall = 7.80728093 ------------------------------------------------------------------------ net charge in left DL = -12.474976 8.61036115 net charge in right DL = 11.3797573 -8.61036115 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.648167579 Relative adsorption of ion 1 on right wall = -0.414904361 Relative adsorption of ion 2 on left wall = -0.800665494 Relative adsorption of ion 2 on right wall = 0.906730948 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00467020589 Right electrode charge = -0.00467020589 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 224 -1.00 3.0000 1.5000 Na ion: 224 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76639 Bulk concentration of Na = 0.76906 ________________________________________________________________________ Average electrode charge 1 = 0.00791142033 Average electrode charge 2 = -0.00791142033 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.361150 -1.060000 -0.531355 ________________________________________________________________________ Electrode charge exchange: 0.0641203893 Move Jump Cl: 0.94399 0.40026 Na: 0.93900 0.39700 ________________________________________________________________________ Create NaCl : 11811. / 29908. = 0.39491 Destroy NaCl : 11887. / 29851. = 0.39821 ________________________________________________________________________ Potential at left wall /kT = 1.42302075 Potential at right wall /kT = -1.32361265 ------------------------------------------------------------------------ Potential at left wall /mV = 36.7862806 Potential at right wall /mV = -34.2164978 ________________________________________________________________________ Capacitance of left DL = 0.0228515386 Capacitance of right DL = 0.0245677719 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 27.1840475 Capacitance of right DL [F/m2] = 29.2256679 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.99302598 Adsorption of ion 1 on right wall = -3.91284902 Adsorption of ion 2 on left wall = -4.86745439 Adsorption of ion 2 on right wall = 7.16737061 ------------------------------------------------------------------------ net charge in left DL = -11.8604804 7.00649929 net charge in right DL = 11.0802196 -7.00649929 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.998077027 Relative adsorption of ion 1 on right wall = -0.558459917 Relative adsorption of ion 2 on left wall = -0.694705613 Relative adsorption of ion 2 on right wall = 1.0229603 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00318172835 Right electrode charge = -0.00318172835 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 232 -1.00 3.0000 1.5000 Na ion: 232 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77039 Bulk concentration of Na = 0.77288 ________________________________________________________________________ Average electrode charge 1 = 0.00743563978 Average electrode charge 2 = -0.00743563978 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371306 -1.060000 -0.541510 ________________________________________________________________________ Electrode charge exchange: 0.0648965933 Move Jump Cl: 0.94371 0.39877 Na: 0.94004 0.39627 ________________________________________________________________________ Create NaCl : 17701. / 44989. = 0.39345 Destroy NaCl : 17769. / 44803. = 0.39660 ________________________________________________________________________ Potential at left wall /kT = 1.43481169 Potential at right wall /kT = -1.4053154 ------------------------------------------------------------------------ Potential at left wall /mV = 37.0910862 Potential at right wall /mV = -36.3285825 ________________________________________________________________________ Capacitance of left DL = 0.0154404106 Capacitance of right DL = 0.0157644907 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 26.9606556 Capacitance of right DL [F/m2] = 27.5265351 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.65267019 Adsorption of ion 1 on right wall = -4.31691869 Adsorption of ion 2 on left wall = -4.71887863 Adsorption of ion 2 on right wall = 6.32478804 ------------------------------------------------------------------------ net charge in left DL = -11.3715488 4.77340357 net charge in right DL = 10.6417067 -4.77340357 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.39369532 Relative adsorption of ion 1 on right wall = -0.904369101 Relative adsorption of ion 2 on left wall = -0.988577346 Relative adsorption of ion 2 on right wall = 1.32500593 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00574453002 Right electrode charge = -0.00574453002 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.77214 Bulk concentration of Na = 0.77411 ________________________________________________________________________ Average electrode charge 1 = 0.00718409848 Average electrode charge 2 = -0.00718409848 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.375162 -1.060000 -0.545367 ________________________________________________________________________ Electrode charge exchange: 0.0651019148 Move Jump Cl: 0.94439 0.39823 Na: 0.94095 0.39870 ________________________________________________________________________ Create NaCl : 23613. / 60079. = 0.39303 Destroy NaCl : 23703. / 59858. = 0.39599 ________________________________________________________________________ Potential at left wall /kT = 1.34057118 Potential at right wall /kT = -1.30438539 ------------------------------------------------------------------------ Potential at left wall /mV = 34.65489 Potential at right wall /mV = -33.7194569 ________________________________________________________________________ Capacitance of left DL = 0.0298370084 Capacitance of right DL = 0.030664736 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 28.8559565 Capacitance of right DL [F/m2] = 29.6564681 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.04270364 Adsorption of ion 1 on right wall = -4.36246719 Adsorption of ion 2 on left wall = -4.92139517 Adsorption of ion 2 on right wall = 6.02249233 ------------------------------------------------------------------------ net charge in left DL = -10.9640988 8.61825933 net charge in right DL = 10.3849595 -8.61825933 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.70115129 Relative adsorption of ion 1 on right wall = -0.506188898 Relative adsorption of ion 2 on left wall = -0.571042827 Relative adsorption of ion 2 on right wall = 0.698806116 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0047452693 Right electrode charge = -0.0047452693 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.76794 Bulk concentration of Na = 0.76907 ________________________________________________________________________ Average electrode charge 1 = 0.00710469497 Average electrode charge 2 = -0.00710469497 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.363181 -1.060000 -0.533386 ________________________________________________________________________ Electrode charge exchange: 0.0657916379 Move Jump Cl: 0.94419 0.39870 Na: 0.94151 0.39829 ________________________________________________________________________ Create NaCl : 29510. / 74882. = 0.39409 Destroy NaCl : 29606. / 74850. = 0.39554 ________________________________________________________________________ Potential at left wall /kT = 1.30147216 Potential at right wall /kT = -1.26697468 ------------------------------------------------------------------------ Potential at left wall /mV = 33.6441474 Potential at right wall /mV = -32.7523588 ________________________________________________________________________ Capacitance of left DL = 0.025387307 Capacitance of right DL = 0.0260785584 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.7228516 Capacitance of right DL [F/m2] = 30.5321521 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51198652 Adsorption of ion 1 on right wall = -4.49736681 Adsorption of ion 2 on left wall = -4.24082103 Adsorption of ion 2 on right wall = 5.92357897 ------------------------------------------------------------------------ net charge in left DL = -10.7528076 7.11911354 net charge in right DL = 10.4209458 -7.11911354 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.914718733 Relative adsorption of ion 1 on right wall = -0.631731295 Relative adsorption of ion 2 on left wall = -0.595695098 Relative adsorption of ion 2 on right wall = 0.832066933 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00565602359 Right electrode charge = -0.00565602359 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 238 -1.00 3.0000 1.5000 Na ion: 238 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77215 Bulk concentration of Na = 0.77217 ________________________________________________________________________ Average electrode charge 1 = 0.00701547431 Average electrode charge 2 = -0.00701547431 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.372662 -1.060000 -0.542867 ________________________________________________________________________ Electrode charge exchange: 0.0640173569 Move Jump Cl: 0.94415 0.39787 Na: 0.94117 0.39865 ________________________________________________________________________ Create NaCl : 35432. / 89936. = 0.39397 Destroy NaCl : 35494. / 89849. = 0.39504 ________________________________________________________________________ Potential at left wall /kT = 1.31682489 Potential at right wall /kT = -1.29450847 ------------------------------------------------------------------------ Potential at left wall /mV = 34.0410286 Potential at right wall /mV = -33.4641302 ________________________________________________________________________ Capacitance of left DL = 0.0299070679 Capacitance of right DL = 0.030422645 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.3763157 Capacitance of right DL [F/m2] = 29.8827429 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.91353617 Adsorption of ion 1 on right wall = -4.53779716 Adsorption of ion 2 on left wall = -4.59956565 Adsorption of ion 2 on right wall = 5.96885658 ------------------------------------------------------------------------ net charge in left DL = -10.5131018 8.48547713 net charge in right DL = 10.5066537 -8.48547713 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.696900843 Relative adsorption of ion 1 on right wall = -0.534772187 Relative adsorption of ion 2 on left wall = -0.542051505 Relative adsorption of ion 2 on right wall = 0.703420265 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00928189894 Right electrode charge = -0.00928189894 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 237 -1.00 3.0000 1.5000 Na ion: 237 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77386 Bulk concentration of Na = 0.77438 ________________________________________________________________________ Average electrode charge 1 = 0.00696005615 Average electrode charge 2 = -0.00696005615 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.377739 -1.060000 -0.547944 ________________________________________________________________________ Electrode charge exchange: 0.0644247119 Move Jump Cl: 0.94332 0.39752 Na: 0.94134 0.39742 ________________________________________________________________________ Create NaCl : 41264. / 105008. = 0.39296 Destroy NaCl : 41327. / 104745. = 0.39455 ________________________________________________________________________ Potential at left wall /kT = 1.25337256 Potential at right wall /kT = -1.21961278 ------------------------------------------------------------------------ Potential at left wall /mV = 32.4007324 Potential at right wall /mV = -31.5280139 ________________________________________________________________________ Capacitance of left DL = 0.0515640839 Capacitance of right DL = 0.0529914156 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.8634998 Capacitance of right DL [F/m2] = 31.7178242 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.84414544 Adsorption of ion 1 on right wall = -4.64444504 Adsorption of ion 2 on left wall = -4.63982801 Adsorption of ion 2 on right wall = 5.68702437 ------------------------------------------------------------------------ net charge in left DL = -10.4839734 13.9252144 net charge in right DL = 10.3314694 -13.9252144 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.419680823 Relative adsorption of ion 1 on right wall = -0.333527722 Relative adsorption of ion 2 on left wall = -0.333196163 Relative adsorption of ion 2 on right wall = 0.408397617 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00722258734 Right electrode charge = -0.00722258734 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 236 -1.00 3.0000 1.5000 Na ion: 236 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77469 Bulk concentration of Na = 0.77489 ________________________________________________________________________ Average electrode charge 1 = 0.00703497567 Average electrode charge 2 = -0.00703497567 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.379469 -1.060000 -0.549674 ________________________________________________________________________ Electrode charge exchange: 0.0637840963 Move Jump Cl: 0.94311 0.39724 Na: 0.94093 0.39694 ________________________________________________________________________ Create NaCl : 47147. / 120083. = 0.39262 Destroy NaCl : 47211. / 119581. = 0.39480 ________________________________________________________________________ Potential at left wall /kT = 1.22886389 Potential at right wall /kT = -1.19644814 ------------------------------------------------------------------------ Potential at left wall /mV = 31.7671629 Potential at right wall /mV = -30.9291883 ________________________________________________________________________ Capacitance of left DL = 0.0409241503 Capacitance of right DL = 0.0420329216 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 31.4790465 Capacitance of right DL [F/m2] = 32.3319186 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.83887977 Adsorption of ion 1 on right wall = -4.67319106 Adsorption of ion 2 on left wall = -4.70616472 Adsorption of ion 2 on right wall = 5.81458945 ------------------------------------------------------------------------ net charge in left DL = -10.5450445 10.8357221 net charge in right DL = 10.4877805 -10.8357221 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5388547 Relative adsorption of ion 1 on right wall = -0.431276386 Relative adsorption of ion 2 on left wall = -0.434319437 Relative adsorption of ion 2 on right wall = 0.536613011 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00766611909 Right electrode charge = -0.00766611909 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 228 -1.00 3.0000 1.5000 Na ion: 228 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77373 Bulk concentration of Na = 0.77370 ________________________________________________________________________ Average electrode charge 1 = 0.00706932235 Average electrode charge 2 = -0.00706932235 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.376685 -1.060000 -0.546890 ________________________________________________________________________ Electrode charge exchange: 0.0632601616 Move Jump Cl: 0.94347 0.39711 Na: 0.94119 0.39677 ________________________________________________________________________ Create NaCl : 53067. / 135109. = 0.39277 Destroy NaCl : 53139. / 134487. = 0.39512 ________________________________________________________________________ Potential at left wall /kT = 1.14942056 Potential at right wall /kT = -1.12376449 ------------------------------------------------------------------------ Potential at left wall /mV = 29.713486 Potential at right wall /mV = -29.0502552 ________________________________________________________________________ Capacitance of left DL = 0.04643947 Capacitance of right DL = 0.0474997046 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 33.6547519 Capacitance of right DL [F/m2] = 34.4231055 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.99752654 Adsorption of ion 1 on right wall = -4.68337531 Adsorption of ion 2 on left wall = -4.52186194 Adsorption of ion 2 on right wall = 5.84356213 ------------------------------------------------------------------------ net charge in left DL = -10.5193885 11.5011328 net charge in right DL = 10.5269374 -11.5011328 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.521472681 Relative adsorption of ion 1 on right wall = -0.407209917 Relative adsorption of ion 2 on left wall = -0.393166659 Relative adsorption of ion 2 on right wall = 0.508085791 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00816493761 Right electrode charge = -0.00816493761 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 236 -1.00 3.0000 1.5000 Na ion: 236 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77520 Bulk concentration of Na = 0.77528 ________________________________________________________________________ Average electrode charge 1 = 0.0071534335 Average electrode charge 2 = -0.0071534335 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.380632 -1.060000 -0.550837 ________________________________________________________________________ Electrode charge exchange: 0.0625539975 Move Jump Cl: 0.94337 0.39675 Na: 0.94129 0.39587 ________________________________________________________________________ Create NaCl : 59007. / 150164. = 0.39295 Destroy NaCl : 59071. / 149494. = 0.39514 ________________________________________________________________________ Potential at left wall /kT = 1.20258477 Potential at right wall /kT = -1.18178988 ------------------------------------------------------------------------ Potential at left wall /mV = 31.0878256 Potential at right wall /mV = -30.5502601 ________________________________________________________________________ Capacitance of left DL = 0.0472745956 Capacitance of right DL = 0.0481064442 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 32.1669329 Capacitance of right DL [F/m2] = 32.7329455 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.08285201 Adsorption of ion 1 on right wall = -4.85567465 Adsorption of ion 2 on left wall = -4.62624621 Adsorption of ion 2 on right wall = 5.82871046 ------------------------------------------------------------------------ net charge in left DL = -10.7090982 12.2494877 net charge in right DL = 10.6843851 -12.2494877 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.496580116 Relative adsorption of ion 1 on right wall = -0.396398182 Relative adsorption of ion 2 on left wall = -0.377668546 Relative adsorption of ion 2 on right wall = 0.475832999 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00425150964 Right electrode charge = -0.00425150964 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.77588 Bulk concentration of Na = 0.77605 ________________________________________________________________________ Average electrode charge 1 = 0.00715267931 Average electrode charge 2 = -0.00715267931 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.382508 -1.060000 -0.552713 ________________________________________________________________________ Electrode charge exchange: 0.0627468785 Move Jump Cl: 0.94340 0.39648 Na: 0.94117 0.39569 ________________________________________________________________________ Create NaCl : 64900. / 165207. = 0.39284 Destroy NaCl : 64981. / 164522. = 0.39497 ________________________________________________________________________ Potential at left wall /kT = 1.24192284 Potential at right wall /kT = -1.22673513 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1047477 Potential at right wall /mV = -31.7121325 ________________________________________________________________________ Capacitance of left DL = 0.0238363199 Capacitance of right DL = 0.0241314278 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 31.1480411 Capacitance of right DL [F/m2] = 31.5336725 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.13708922 Adsorption of ion 1 on right wall = -5.12208502 Adsorption of ion 2 on left wall = -4.62232562 Adsorption of ion 2 on right wall = 5.58779711 ------------------------------------------------------------------------ net charge in left DL = -10.7594148 6.37834818 net charge in right DL = 10.7098821 -6.37834818 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.962175322 Relative adsorption of ion 1 on right wall = -0.803042555 Relative adsorption of ion 2 on left wall = -0.724690075 Relative adsorption of ion 2 on right wall = 0.876057083 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00643016919 Right electrode charge = -0.00643016919 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 224 -1.00 3.0000 1.5000 Na ion: 224 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77489 Bulk concentration of Na = 0.77555 ________________________________________________________________________ Average electrode charge 1 = 0.00714279273 Average electrode charge 2 = -0.00714279273 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.380582 -1.060000 -0.550787 ________________________________________________________________________ Electrode charge exchange: 0.0631399317 Move Jump Cl: 0.94361 0.39642 Na: 0.94103 0.39556 ________________________________________________________________________ Create NaCl : 70845. / 180116. = 0.39333 Destroy NaCl : 70921. / 179615. = 0.39485 ________________________________________________________________________ Potential at left wall /kT = 1.19495076 Potential at right wall /kT = -1.18238828 ------------------------------------------------------------------------ Potential at left wall /mV = 30.89048 Potential at right wall /mV = -30.5657292 ________________________________________________________________________ Capacitance of left DL = 0.0374682183 Capacitance of right DL = 0.0378663058 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 32.3724331 Capacitance of right DL [F/m2] = 32.7163796 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.92299682 Adsorption of ion 1 on right wall = -4.94684068 Adsorption of ion 2 on left wall = -4.86798472 Adsorption of ion 2 on right wall = 5.65234445 ------------------------------------------------------------------------ net charge in left DL = -10.7909815 9.64689287 net charge in right DL = 10.5991851 -9.64689287 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.613979745 Relative adsorption of ion 1 on right wall = -0.512791087 Relative adsorption of ion 2 on left wall = -0.504616853 Relative adsorption of ion 2 on right wall = 0.585923833 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00423566625 Right electrode charge = -0.00423566625 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 229 -1.00 3.0000 1.5000 Na ion: 229 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77437 Bulk concentration of Na = 0.77522 ________________________________________________________________________ Average electrode charge 1 = 0.00714121641 Average electrode charge 2 = -0.00714121641 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.379478 -1.060000 -0.549683 ________________________________________________________________________ Electrode charge exchange: 0.06272 Move Jump Cl: 0.94336 0.39634 Na: 0.94084 0.39573 ________________________________________________________________________ Create NaCl : 76733. / 195136. = 0.39323 Destroy NaCl : 76804. / 194701. = 0.39447 ________________________________________________________________________ Potential at left wall /kT = 1.18967047 Potential at right wall /kT = -1.18054803 ------------------------------------------------------------------------ Potential at left wall /mV = 30.75398 Potential at right wall /mV = -30.5181574 ________________________________________________________________________ Capacitance of left DL = 0.0247905238 Capacitance of right DL = 0.0249820874 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 32.5161166 Capacitance of right DL [F/m2] = 32.7673781 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.17238714 Adsorption of ion 1 on right wall = -4.93891543 Adsorption of ion 2 on left wall = -4.64754956 Adsorption of ion 2 on right wall = 5.63142223 ------------------------------------------------------------------------ net charge in left DL = -10.8199367 6.35457906 net charge in right DL = 10.5703377 -6.35457906 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.971329033 Relative adsorption of ion 1 on right wall = -0.777221493 Relative adsorption of ion 2 on left wall = -0.731370169 Relative adsorption of ion 2 on right wall = 0.886199098 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00513855585 Right electrode charge = -0.00513855585 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.77457 Bulk concentration of Na = 0.77528 ________________________________________________________________________ Average electrode charge 1 = 0.00711433532 Average electrode charge 2 = -0.00711433532 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.379810 -1.060000 -0.550015 ________________________________________________________________________ Electrode charge exchange: 0.0627088213 Move Jump Cl: 0.94349 0.39679 Na: 0.94084 0.39617 ________________________________________________________________________ Create NaCl : 82588. / 210092. = 0.39310 Destroy NaCl : 82669. / 209613. = 0.39439 ________________________________________________________________________ Potential at left wall /kT = 1.1471504 Potential at right wall /kT = -1.13484998 ------------------------------------------------------------------------ Potential at left wall /mV = 29.6548005 Potential at right wall /mV = -29.3368243 ________________________________________________________________________ Capacitance of left DL = 0.0311897127 Capacitance of right DL = 0.031527772 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 33.7213532 Capacitance of right DL [F/m2] = 34.0868524 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.13934189 Adsorption of ion 1 on right wall = -4.93046287 Adsorption of ion 2 on left wall = -4.59571202 Adsorption of ion 2 on right wall = 5.5961856 ------------------------------------------------------------------------ net charge in left DL = -10.7350539 7.70914362 net charge in right DL = 10.5266485 -7.70914362 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.796371452 Relative adsorption of ion 1 on right wall = -0.639560386 Relative adsorption of ion 2 on left wall = -0.596137814 Relative adsorption of ion 2 on right wall = 0.725915338 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00686111906 Right electrode charge = -0.00686111906 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 227 -1.00 3.0000 1.5000 Na ion: 227 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77370 Bulk concentration of Na = 0.77436 ________________________________________________________________________ Average electrode charge 1 = 0.00708796816 Average electrode charge 2 = -0.00708796816 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.377513 -1.060000 -0.547717 ________________________________________________________________________ Electrode charge exchange: 0.0624812955 Move Jump Cl: 0.94354 0.39628 Na: 0.94069 0.39628 ________________________________________________________________________ Create NaCl : 88562. / 225202. = 0.39326 Destroy NaCl : 88635. / 224492. = 0.39482 ________________________________________________________________________ Potential at left wall /kT = 1.07003121 Potential at right wall /kT = -1.06469775 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6612047 Potential at right wall /mV = -27.5233304 ________________________________________________________________________ Capacitance of left DL = 0.0446466795 Capacitance of right DL = 0.0448703308 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1517154 Capacitance of right DL [F/m2] = 36.3328124 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.17860207 Adsorption of ion 1 on right wall = -4.71877349 Adsorption of ion 2 on left wall = -4.46346009 Adsorption of ion 2 on right wall = 5.73065547 ------------------------------------------------------------------------ net charge in left DL = -10.6420622 10.2934275 net charge in right DL = 10.449429 -10.2934275 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.600247299 Relative adsorption of ion 1 on right wall = -0.458425872 Relative adsorption of ion 2 on left wall = -0.433622336 Relative adsorption of ion 2 on right wall = 0.556729569 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00820172991 Right electrode charge = -0.00820172991 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 231 -1.00 3.0000 1.5000 Na ion: 231 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77320 Bulk concentration of Na = 0.77393 ________________________________________________________________________ Average electrode charge 1 = 0.00711078127 Average electrode charge 2 = -0.00711078127 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.376315 -1.060000 -0.546520 ________________________________________________________________________ Electrode charge exchange: 0.0626124954 Move Jump Cl: 0.94308 0.39618 Na: 0.94071 0.39646 ________________________________________________________________________ Create NaCl : 94505. / 240252. = 0.39336 Destroy NaCl : 94574. / 239592. = 0.39473 ________________________________________________________________________ Potential at left wall /kT = 1.0699743 Potential at right wall /kT = -1.06978965 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6597336 Potential at right wall /mV = -27.6549601 ________________________________________________________________________ Capacitance of left DL = 0.0533731419 Capacitance of right DL = 0.0533823546 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1536381 Capacitance of right DL [F/m2] = 36.1598786 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.25087482 Adsorption of ion 1 on right wall = -4.72547102 Adsorption of ion 2 on left wall = -4.4410516 Adsorption of ion 2 on right wall = 5.75245882 ------------------------------------------------------------------------ net charge in left DL = -10.6919264 12.3046855 net charge in right DL = 10.4779298 -12.3046855 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.508007686 Relative adsorption of ion 1 on right wall = -0.384038341 Relative adsorption of ion 2 on left wall = -0.360923617 Relative adsorption of ion 2 on right wall = 0.46750149 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00979470791 Right electrode charge = -0.00979470791 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 226 -1.00 3.0000 1.5000 Na ion: 226 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77245 Bulk concentration of Na = 0.77349 ________________________________________________________________________ Average electrode charge 1 = 0.00711594905 Average electrode charge 2 = -0.00711594905 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.374763 -1.060000 -0.544968 ________________________________________________________________________ Electrode charge exchange: 0.0625165122 Move Jump Cl: 0.94288 0.39627 Na: 0.94065 0.39688 ________________________________________________________________________ Create NaCl : 100452. / 255192. = 0.39363 Destroy NaCl : 100526. / 254594. = 0.39485 ________________________________________________________________________ Potential at left wall /kT = 1.10755998 Potential at right wall /kT = -1.10543202 ------------------------------------------------------------------------ Potential at left wall /mV = 28.631355 Potential at right wall /mV = -28.5763453 ________________________________________________________________________ Capacitance of left DL = 0.0615764839 Capacitance of right DL = 0.0616950192 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 34.9267437 Capacitance of right DL [F/m2] = 34.993978 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.37181328 Adsorption of ion 1 on right wall = -4.65579456 Adsorption of ion 2 on left wall = -4.40340782 Adsorption of ion 2 on right wall = 5.81422159 ------------------------------------------------------------------------ net charge in left DL = -10.7752211 14.6945586 net charge in right DL = 10.4700162 -14.6945586 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.433617195 Relative adsorption of ion 1 on right wall = -0.316838001 Relative adsorption of ion 2 on left wall = -0.299662477 Relative adsorption of ion 2 on right wall = 0.395671742 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00573531107 Right electrode charge = -0.00573531107 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 225 -1.00 3.0000 1.5000 Na ion: 225 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77120 Bulk concentration of Na = 0.77233 ________________________________________________________________________ Average electrode charge 1 = 0.00718414034 Average electrode charge 2 = -0.00718414034 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371651 -1.060000 -0.541855 ________________________________________________________________________ Electrode charge exchange: 0.06229578 Move Jump Cl: 0.94281 0.39645 Na: 0.94114 0.39699 ________________________________________________________________________ Create NaCl : 106451. / 270125. = 0.39408 Destroy NaCl : 106526. / 269728. = 0.39494 ________________________________________________________________________ Potential at left wall /kT = 1.13705525 Potential at right wall /kT = -1.12975379 ------------------------------------------------------------------------ Potential at left wall /mV = 29.3938323 Potential at right wall /mV = -29.2050835 ________________________________________________________________________ Capacitance of left DL = 0.0351209346 Capacitance of right DL = 0.0353479169 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 34.0207425 Capacitance of right DL [F/m2] = 34.2406143 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43295871 Adsorption of ion 1 on right wall = -4.55589685 Adsorption of ion 2 on left wall = -4.4740958 Adsorption of ion 2 on right wall = 6.01994124 ------------------------------------------------------------------------ net charge in left DL = -10.9070545 8.60442857 net charge in right DL = 10.5758381 -8.60442857 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.747633461 Relative adsorption of ion 1 on right wall = -0.52948279 Relative adsorption of ion 2 on left wall = -0.519975936 Relative adsorption of ion 2 on right wall = 0.699632892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00813957295 Right electrode charge = -0.00813957295 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 239 -1.00 3.0000 1.5000 Na ion: 239 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77199 Bulk concentration of Na = 0.77292 ________________________________________________________________________ Average electrode charge 1 = 0.00714076415 Average electrode charge 2 = -0.00714076415 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.373437 -1.060000 -0.543642 ________________________________________________________________________ Electrode charge exchange: 0.0624884954 Move Jump Cl: 0.94309 0.39651 Na: 0.94122 0.39688 ________________________________________________________________________ Create NaCl : 112427. / 285231. = 0.39416 Destroy NaCl : 112488. / 284643. = 0.39519 ________________________________________________________________________ Potential at left wall /kT = 1.09942701 Potential at right wall /kT = -1.09232892 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4211108 Potential at right wall /mV = -28.2376193 ________________________________________________________________________ Capacitance of left DL = 0.0515496679 Capacitance of right DL = 0.0518846439 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.1851132 Capacitance of right DL [F/m2] = 35.4137503 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.30140525 Adsorption of ion 1 on right wall = -4.61270089 Adsorption of ion 2 on left wall = -4.49213263 Adsorption of ion 2 on right wall = 5.90679983 ------------------------------------------------------------------------ net charge in left DL = -10.7935379 12.2114342 net charge in right DL = 10.5195007 -12.2114342 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.516024991 Relative adsorption of ion 1 on right wall = -0.37773621 Relative adsorption of ion 2 on left wall = -0.367862819 Relative adsorption of ion 2 on right wall = 0.483710571 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0079388341 Right electrode charge = -0.0079388341 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 220 -1.00 3.0000 1.5000 Na ion: 220 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77185 Bulk concentration of Na = 0.77273 ________________________________________________________________________ Average electrode charge 1 = 0.00713110124 Average electrode charge 2 = -0.00713110124 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.373011 -1.060000 -0.543215 ________________________________________________________________________ Electrode charge exchange: 0.062647213 Move Jump Cl: 0.94322 0.39652 Na: 0.94132 0.39682 ________________________________________________________________________ Create NaCl : 118300. / 300174. = 0.39410 Destroy NaCl : 118380. / 299660. = 0.39505 ________________________________________________________________________ Potential at left wall /kT = 1.0896754 Potential at right wall /kT = -1.07667457 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1690236 Potential at right wall /mV = -27.8329411 ________________________________________________________________________ Capacitance of left DL = 0.0507282911 Capacitance of right DL = 0.0513408348 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.499988 Capacitance of right DL [F/m2] = 35.9286501 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.19854778 Adsorption of ion 1 on right wall = -4.52423388 Adsorption of ion 2 on left wall = -4.56502209 Adsorption of ion 2 on right wall = 5.98286791 ------------------------------------------------------------------------ net charge in left DL = -10.7635699 11.9102748 net charge in right DL = 10.5071018 -11.9102748 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.520437008 Relative adsorption of ion 1 on right wall = -0.37985974 Relative adsorption of ion 2 on left wall = -0.383284363 Relative adsorption of ion 2 on right wall = 0.502328285 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00840536812 Right electrode charge = -0.00840536812 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 238 -1.00 3.0000 1.5000 Na ion: 238 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77166 Bulk concentration of Na = 0.77226 ________________________________________________________________________ Average electrode charge 1 = 0.00711448883 Average electrode charge 2 = -0.00711448883 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.372151 -1.060000 -0.542356 ________________________________________________________________________ Electrode charge exchange: 0.0626952537 Move Jump Cl: 0.94311 0.39646 Na: 0.94129 0.39706 ________________________________________________________________________ Create NaCl : 124337. / 315134. = 0.39455 Destroy NaCl : 124399. / 314708. = 0.39528 ________________________________________________________________________ Potential at left wall /kT = 1.04813865 Potential at right wall /kT = -1.04497994 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0952636 Potential at right wall /mV = -27.0136085 ________________________________________________________________________ Capacitance of left DL = 0.0558378461 Capacitance of right DL = 0.0560066294 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9068194 Capacitance of right DL [F/m2] = 37.0183791 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.20400134 Adsorption of ion 1 on right wall = -4.53355581 Adsorption of ion 2 on left wall = -4.47103406 Adsorption of ion 2 on right wall = 5.96772626 ------------------------------------------------------------------------ net charge in left DL = -10.6750354 12.6101947 net charge in right DL = 10.5012821 -12.6101947 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.491982992 Relative adsorption of ion 1 on right wall = -0.35951513 Relative adsorption of ion 2 on left wall = -0.354557098 Relative adsorption of ion 2 on right wall = 0.473246161 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0098295857 Right electrode charge = -0.0098295857 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.77123 Bulk concentration of Na = 0.77198 ________________________________________________________________________ Average electrode charge 1 = 0.00710429554 Average electrode charge 2 = -0.00710429554 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371237 -1.060000 -0.541442 ________________________________________________________________________ Electrode charge exchange: 0.0628710587 Move Jump Cl: 0.94296 0.39674 Na: 0.94110 0.39702 ________________________________________________________________________ Create NaCl : 130274. / 329941. = 0.39484 Destroy NaCl : 130353. / 329771. = 0.39528 ________________________________________________________________________ Potential at left wall /kT = 1.02399431 Potential at right wall /kT = -1.01943604 ------------------------------------------------------------------------ Potential at left wall /mV = 26.4711122 Potential at right wall /mV = -26.3532771 ________________________________________________________________________ Capacitance of left DL = 0.0668387506 Capacitance of right DL = 0.0671376111 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.77703 Capacitance of right DL [F/m2] = 37.9459449 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.21214509 Adsorption of ion 1 on right wall = -4.50097839 Adsorption of ion 2 on left wall = -4.45597176 Adsorption of ion 2 on right wall = 5.94865172 ------------------------------------------------------------------------ net charge in left DL = -10.6681169 14.7468842 net charge in right DL = 10.4496301 -14.7468842 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.421251366 Relative adsorption of ion 1 on right wall = -0.305215552 Relative adsorption of ion 2 on left wall = -0.302163611 Relative adsorption of ion 2 on right wall = 0.403383634 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00472916899 Right electrode charge = -0.00472916899 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 244 -1.00 3.0000 1.5000 Na ion: 244 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77119 Bulk concentration of Na = 0.77192 ________________________________________________________________________ Average electrode charge 1 = 0.00711204976 Average electrode charge 2 = -0.00711204976 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.371096 -1.060000 -0.541300 ________________________________________________________________________ Electrode charge exchange: 0.0630399236 Move Jump Cl: 0.94310 0.39691 Na: 0.94092 0.39707 ________________________________________________________________________ Create NaCl : 136175. / 344880. = 0.39485 Destroy NaCl : 136231. / 344672. = 0.39525 ________________________________________________________________________ Potential at left wall /kT = 1.02715322 Potential at right wall /kT = -1.01808515 ------------------------------------------------------------------------ Potential at left wall /mV = 26.5527726 Potential at right wall /mV = -26.3183556 ________________________________________________________________________ Capacitance of left DL = 0.0320582828 Capacitance of right DL = 0.0323438252 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.6608505 Capacitance of right DL [F/m2] = 37.9962949 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.17298106 Adsorption of ion 1 on right wall = -4.45836459 Adsorption of ion 2 on left wall = -4.50609289 Adsorption of ion 2 on right wall = 6.00731943 ------------------------------------------------------------------------ net charge in left DL = -10.679074 7.09495897 net charge in right DL = 10.465684 -7.09495897 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.870051692 Relative adsorption of ion 1 on right wall = -0.628384831 Relative adsorption of ion 2 on left wall = -0.635111903 Relative adsorption of ion 2 on right wall = 0.84670249 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00528547919 Right electrode charge = -0.00528547919 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 223 -1.00 3.0000 1.5000 Na ion: 223 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77079 Bulk concentration of Na = 0.77131 ________________________________________________________________________ Average electrode charge 1 = 0.00710444747 Average electrode charge 2 = -0.00710444747 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369791 -1.060000 -0.539996 ________________________________________________________________________ Electrode charge exchange: 0.0630684928 Move Jump Cl: 0.94301 0.39721 Na: 0.94101 0.39694 ________________________________________________________________________ Create NaCl : 142101. / 359930. = 0.39480 Destroy NaCl : 142178. / 359666. = 0.39531 ________________________________________________________________________ Potential at left wall /kT = 1.04392744 Potential at right wall /kT = -1.0413096 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9864005 Potential at right wall /mV = -26.9187271 ________________________________________________________________________ Capacitance of left DL = 0.0352537 Capacitance of right DL = 0.0353423275 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0557015 Capacitance of right DL [F/m2] = 37.1488591 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.15089279 Adsorption of ion 1 on right wall = -4.29911138 Adsorption of ion 2 on left wall = -4.50361121 Adsorption of ion 2 on right wall = 6.20205962 ------------------------------------------------------------------------ net charge in left DL = -10.654504 7.92956607 net charge in right DL = 10.501171 -7.92956607 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.775690969 Relative adsorption of ion 1 on right wall = -0.54216225 Relative adsorption of ion 2 on left wall = -0.567951786 Relative adsorption of ion 2 on right wall = 0.782143633 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00613260712 Right electrode charge = -0.00613260712 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.77087 Bulk concentration of Na = 0.77130 ________________________________________________________________________ Average electrode charge 1 = 0.00712950921 Average electrode charge 2 = -0.00712950921 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369888 -1.060000 -0.540092 ________________________________________________________________________ Electrode charge exchange: 0.0632274551 Move Jump Cl: 0.94308 0.39725 Na: 0.94102 0.39709 ________________________________________________________________________ Create NaCl : 147943. / 374880. = 0.39464 Destroy NaCl : 148024. / 374763. = 0.39498 ________________________________________________________________________ Potential at left wall /kT = 1.05517595 Potential at right wall /kT = -1.05786251 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2771838 Potential at right wall /mV = -27.3466335 ________________________________________________________________________ Capacitance of left DL = 0.0404679226 Capacitance of right DL = 0.0403651501 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.660676 Capacitance of right DL [F/m2] = 36.5675724 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.12009908 Adsorption of ion 1 on right wall = -4.38447158 Adsorption of ion 2 on left wall = -4.56746718 Adsorption of ion 2 on right wall = 6.17853149 ------------------------------------------------------------------------ net charge in left DL = -10.6875663 9.20047391 net charge in right DL = 10.5630031 -9.20047391 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.665193896 Relative adsorption of ion 1 on right wall = -0.47654845 Relative adsorption of ion 2 on left wall = -0.496438251 Relative adsorption of ion 2 on right wall = 0.671544917 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00869445092 Right electrode charge = -0.00869445092 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.77072 Bulk concentration of Na = 0.77127 ________________________________________________________________________ Average electrode charge 1 = 0.00711435874 Average electrode charge 2 = -0.00711435874 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369652 -1.060000 -0.539856 ________________________________________________________________________ Electrode charge exchange: 0.0632526846 Move Jump Cl: 0.94310 0.39704 Na: 0.94101 0.39722 ________________________________________________________________________ Create NaCl : 153836. / 389887. = 0.39457 Destroy NaCl : 153927. / 389732. = 0.39496 ________________________________________________________________________ Potential at left wall /kT = 1.05898694 Potential at right wall /kT = -1.06449127 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3757012 Potential at right wall /mV = -27.5179927 ________________________________________________________________________ Capacitance of left DL = 0.0571665796 Capacitance of right DL = 0.0568709796 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5287447 Capacitance of right DL [F/m2] = 36.33986 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11255402 Adsorption of ion 1 on right wall = -4.36130111 Adsorption of ion 2 on left wall = -4.57692801 Adsorption of ion 2 on right wall = 6.16822712 ------------------------------------------------------------------------ net charge in left DL = -10.689482 13.0438926 net charge in right DL = 10.5295282 -13.0438926 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.468614254 Relative adsorption of ion 1 on right wall = -0.334355796 Relative adsorption of ion 2 on left wall = -0.350886666 Relative adsorption of ion 2 on right wall = 0.47288239 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00518980765 Right electrode charge = -0.00518980765 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 246 -1.00 3.0000 1.5000 Na ion: 246 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77013 Bulk concentration of Na = 0.77070 ________________________________________________________________________ Average electrode charge 1 = 0.00711884387 Average electrode charge 2 = -0.00711884387 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.368152 -1.060000 -0.538356 ________________________________________________________________________ Electrode charge exchange: 0.0631915326 Move Jump Cl: 0.94291 0.39712 Na: 0.94103 0.39705 ________________________________________________________________________ Create NaCl : 159796. / 404750. = 0.39480 Destroy NaCl : 159850. / 404697. = 0.39499 ________________________________________________________________________ Potential at left wall /kT = 1.06637748 Potential at right wall /kT = -1.07708426 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5667527 Potential at right wall /mV = -27.843532 ________________________________________________________________________ Capacitance of left DL = 0.0338868306 Capacitance of right DL = 0.0335499777 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2755821 Capacitance of right DL [F/m2] = 35.9149837 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.19581933 Adsorption of ion 1 on right wall = -4.3516961 Adsorption of ion 2 on left wall = -4.51227947 Adsorption of ion 2 on right wall = 6.19049893 ------------------------------------------------------------------------ net charge in left DL = -10.7080988 7.78603439 net charge in right DL = 10.542195 -7.78603439 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.795760592 Relative adsorption of ion 1 on right wall = -0.558910465 Relative adsorption of ion 2 on left wall = -0.579535004 Relative adsorption of ion 2 on right wall = 0.795077265 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00710055294 Right electrode charge = -0.00710055294 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 236 -1.00 3.0000 1.5000 Na ion: 236 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77001 Bulk concentration of Na = 0.77066 ________________________________________________________________________ Average electrode charge 1 = 0.00712509839 Average electrode charge 2 = -0.00712509839 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367938 -1.060000 -0.538143 ________________________________________________________________________ Electrode charge exchange: 0.0631813574 Move Jump Cl: 0.94281 0.39719 Na: 0.94108 0.39712 ________________________________________________________________________ Create NaCl : 165684. / 419520. = 0.39494 Destroy NaCl : 165748. / 419800. = 0.39483 ________________________________________________________________________ Potential at left wall /kT = 1.06928245 Potential at right wall /kT = -1.07866922 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6418486 Potential at right wall /mV = -27.8845047 ________________________________________________________________________ Capacitance of left DL = 0.0462370784 Capacitance of right DL = 0.0458347149 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1770305 Capacitance of right DL [F/m2] = 35.8622114 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.21901096 Adsorption of ion 1 on right wall = -4.44292475 Adsorption of ion 2 on left wall = -4.51096738 Adsorption of ion 2 on right wall = 6.09775762 ------------------------------------------------------------------------ net charge in left DL = -10.7299783 10.6526394 net charge in right DL = 10.5406824 -10.6526394 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.583800009 Relative adsorption of ion 1 on right wall = -0.417072671 Relative adsorption of ion 2 on left wall = -0.423460067 Relative adsorption of ion 2 on right wall = 0.57241754 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00685890778 Right electrode charge = -0.00685890778 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 230 -1.00 3.0000 1.5000 Na ion: 230 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77036 Bulk concentration of Na = 0.77099 ________________________________________________________________________ Average electrode charge 1 = 0.00713749254 Average electrode charge 2 = -0.00713749254 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.368821 -1.060000 -0.539025 ________________________________________________________________________ Electrode charge exchange: 0.0632358831 Move Jump Cl: 0.94288 0.39734 Na: 0.94107 0.39717 ________________________________________________________________________ Create NaCl : 171536. / 434359. = 0.39492 Destroy NaCl : 171606. / 434768. = 0.39471 ________________________________________________________________________ Potential at left wall /kT = 1.04842593 Potential at right wall /kT = -1.06002565 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1026902 Potential at right wall /mV = -27.4025526 ________________________________________________________________________ Capacitance of left DL = 0.0455520432 Capacitance of right DL = 0.0450535734 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8967063 Capacitance of right DL [F/m2] = 36.4929506 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.19506336 Adsorption of ion 1 on right wall = -4.5121194 Adsorption of ion 2 on left wall = -4.53693278 Adsorption of ion 2 on right wall = 6.033704 ------------------------------------------------------------------------ net charge in left DL = -10.7319961 10.29011 net charge in right DL = 10.5458234 -10.29011 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.602040536 Relative adsorption of ion 1 on right wall = -0.438490879 Relative adsorption of ion 2 on left wall = -0.440902261 Relative adsorption of ion 2 on right wall = 0.586359522 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00756302095 Right electrode charge = -0.00756302095 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 230 -1.00 3.0000 1.5000 Na ion: 230 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77035 Bulk concentration of Na = 0.77087 ________________________________________________________________________ Average electrode charge 1 = 0.00714071327 Average electrode charge 2 = -0.00714071327 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.368650 -1.060000 -0.538855 ________________________________________________________________________ Electrode charge exchange: 0.0632264063 Move Jump Cl: 0.94283 0.39735 Na: 0.94103 0.39711 ________________________________________________________________________ Create NaCl : 177522. / 449572. = 0.39487 Destroy NaCl : 177592. / 449717. = 0.39490 ________________________________________________________________________ Potential at left wall /kT = 1.06857485 Potential at right wall /kT = -1.08075022 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6235565 Potential at right wall /mV = -27.9383003 ________________________________________________________________________ Capacitance of left DL = 0.04928117 Capacitance of right DL = 0.0487259844 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2009867 Capacitance of right DL [F/m2] = 35.7931582 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23250337 Adsorption of ion 1 on right wall = -4.51198108 Adsorption of ion 2 on left wall = -4.50172822 Adsorption of ion 2 on right wall = 6.07042622 ------------------------------------------------------------------------ net charge in left DL = -10.7342316 11.3464593 net charge in right DL = 10.5824073 -11.3464593 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.549290595 Relative adsorption of ion 1 on right wall = -0.397655424 Relative adsorption of ion 2 on left wall = -0.396751807 Relative adsorption of ion 2 on right wall = 0.535006214 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00622350074 Right electrode charge = -0.00622350074 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 237 -1.00 3.0000 1.5000 Na ion: 237 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77055 Bulk concentration of Na = 0.77096 ________________________________________________________________________ Average electrode charge 1 = 0.00716348703 Average electrode charge 2 = -0.00716348703 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369028 -1.060000 -0.539232 ________________________________________________________________________ Electrode charge exchange: 0.0630405659 Move Jump Cl: 0.94282 0.39749 Na: 0.94110 0.39727 ________________________________________________________________________ Create NaCl : 183443. / 464587. = 0.39485 Destroy NaCl : 183506. / 464782. = 0.39482 ________________________________________________________________________ Potential at left wall /kT = 1.06584023 Potential at right wall /kT = -1.08098571 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5528643 Potential at right wall /mV = -27.9443878 ________________________________________________________________________ Capacitance of left DL = 0.0406568092 Capacitance of right DL = 0.0400871743 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2938673 Capacitance of right DL [F/m2] = 35.7853608 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.18286342 Adsorption of ion 1 on right wall = -4.51563336 Adsorption of ion 2 on left wall = -4.56840318 Adsorption of ion 2 on right wall = 6.11437531 ------------------------------------------------------------------------ net charge in left DL = -10.7512666 9.3368375 net charge in right DL = 10.6300087 -9.3368375 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.662201031 Relative adsorption of ion 1 on right wall = -0.48363628 Relative adsorption of ion 2 on left wall = -0.489288068 Relative adsorption of ion 2 on right wall = 0.654865773 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0085534064 Right electrode charge = -0.0085534064 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 235 -1.00 3.0000 1.5000 Na ion: 235 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.77057 Bulk concentration of Na = 0.77102 ________________________________________________________________________ Average electrode charge 1 = 0.00714843244 Average electrode charge 2 = -0.00714843244 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.369135 -1.060000 -0.539340 ________________________________________________________________________ Electrode charge exchange: 0.0629090909 Move Jump Cl: 0.94289 0.39743 Na: 0.94114 0.39716 ________________________________________________________________________ Create NaCl : 189434. / 479657. = 0.39494 Destroy NaCl : 189499. / 479725. = 0.39502 ________________________________________________________________________ Potential at left wall /kT = 1.06600978 Potential at right wall /kT = -1.07753912 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5572474 Potential at right wall /mV = -27.8552906 ________________________________________________________________________ Capacitance of left DL = 0.0558687007 Capacitance of right DL = 0.0552709225 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2880946 Capacitance of right DL [F/m2] = 35.8998229 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.17403607 Adsorption of ion 1 on right wall = -4.52678528 Adsorption of ion 2 on left wall = -4.56059922 Adsorption of ion 2 on right wall = 6.07647213 ------------------------------------------------------------------------ net charge in left DL = -10.7346353 12.8322899 net charge in right DL = 10.6032574 -12.8322899 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.481132839 Relative adsorption of ion 1 on right wall = -0.352765197 Relative adsorption of ion 2 on left wall = -0.355400264 Relative adsorption of ion 2 on right wall = 0.473529836 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00590408836 Right electrode charge = -0.00590408836 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.76990 Bulk concentration of Na = 0.77056 ________________________________________________________________________ Average electrode charge 1 = 0.007130796 Average electrode charge 2 = -0.007130796 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367658 -1.060000 -0.537863 ________________________________________________________________________ Electrode charge exchange: 0.0629284336 Move Jump Cl: 0.94300 0.39737 Na: 0.94118 0.39715 ________________________________________________________________________ Create NaCl : 195420. / 494644. = 0.39507 Destroy NaCl : 195498. / 494682. = 0.39520 ________________________________________________________________________ Potential at left wall /kT = 1.07975949 Potential at right wall /kT = -1.09079083 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9126888 Potential at right wall /mV = -28.1978584 ________________________________________________________________________ Capacitance of left DL = 0.0380729451 Capacitance of right DL = 0.0376879072 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.8260003 Capacitance of right DL [F/m2] = 35.4636861 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.18312652 Adsorption of ion 1 on right wall = -4.40092651 Adsorption of ion 2 on left wall = -4.56797328 Adsorption of ion 2 on right wall = 6.15870399 ------------------------------------------------------------------------ net charge in left DL = -10.7510998 8.85763752 net charge in right DL = 10.5596305 -8.85763752 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.698055944 Relative adsorption of ion 1 on right wall = -0.496851051 Relative adsorption of ion 2 on left wall = -0.515710117 Relative adsorption of ion 2 on right wall = 0.695298716 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00512793923 Right electrode charge = -0.00512793923 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 246 -1.00 3.0000 1.5000 Na ion: 246 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76966 Bulk concentration of Na = 0.77044 ________________________________________________________________________ Average electrode charge 1 = 0.00711598433 Average electrode charge 2 = -0.00711598433 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367193 -1.060000 -0.537398 ________________________________________________________________________ Electrode charge exchange: 0.0629152184 Move Jump Cl: 0.94292 0.39738 Na: 0.94132 0.39706 ________________________________________________________________________ Create NaCl : 201368. / 509697. = 0.39507 Destroy NaCl : 201422. / 509728. = 0.39516 ________________________________________________________________________ Potential at left wall /kT = 1.08011567 Potential at right wall /kT = -1.09534825 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9218964 Potential at right wall /mV = -28.3156715 ________________________________________________________________________ Capacitance of left DL = 0.0330569863 Capacitance of right DL = 0.0325972756 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.8141863 Capacitance of right DL [F/m2] = 35.3161323 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.21726163 Adsorption of ion 1 on right wall = -4.38419376 Adsorption of ion 2 on left wall = -4.53453743 Adsorption of ion 2 on right wall = 6.13891404 ------------------------------------------------------------------------ net charge in left DL = -10.7517991 7.69321598 net charge in right DL = 10.5231078 -7.69321598 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.808148588 Relative adsorption of ion 1 on right wall = -0.569877899 Relative adsorption of ion 2 on left wall = -0.589420268 Relative adsorption of ion 2 on right wall = 0.797964604 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00672856048 Right electrode charge = -0.00672856048 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 232 -1.00 3.0000 1.5000 Na ion: 232 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76969 Bulk concentration of Na = 0.77061 ________________________________________________________________________ Average electrode charge 1 = 0.00712619446 Average electrode charge 2 = -0.00712619446 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367455 -1.060000 -0.537660 ________________________________________________________________________ Electrode charge exchange: 0.0630669156 Move Jump Cl: 0.94295 0.39739 Na: 0.94133 0.39697 ________________________________________________________________________ Create NaCl : 207297. / 524712. = 0.39507 Destroy NaCl : 207365. / 524892. = 0.39506 ________________________________________________________________________ Potential at left wall /kT = 1.073107 Potential at right wall /kT = -1.08560434 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7407164 Potential at right wall /mV = -28.0637833 ________________________________________________________________________ Capacitance of left DL = 0.0436585982 Capacitance of right DL = 0.0431560057 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0480957 Capacitance of right DL [F/m2] = 35.6331144 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24822158 Adsorption of ion 1 on right wall = -4.41620604 Adsorption of ion 2 on left wall = -4.53298167 Adsorption of ion 2 on right wall = 6.09490404 ------------------------------------------------------------------------ net charge in left DL = -10.7812033 10.0945559 net charge in right DL = 10.5111101 -10.0945559 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.618969439 Relative adsorption of ion 1 on right wall = -0.437483937 Relative adsorption of ion 2 on left wall = -0.449052116 Relative adsorption of ion 2 on right wall = 0.603781298 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00803071484 Right electrode charge = -0.00803071484 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 233 -1.00 3.0000 1.5000 Na ion: 233 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76948 Bulk concentration of Na = 0.77043 ________________________________________________________________________ Average electrode charge 1 = 0.00711212299 Average electrode charge 2 = -0.00711212299 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.366950 -1.060000 -0.537154 ________________________________________________________________________ Electrode charge exchange: 0.0630994657 Move Jump Cl: 0.94297 0.39763 Na: 0.94137 0.39697 ________________________________________________________________________ Create NaCl : 213223. / 539499. = 0.39522 Destroy NaCl : 213290. / 539993. = 0.39499 ________________________________________________________________________ Potential at left wall /kT = 1.09306473 Potential at right wall /kT = -1.1054941 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2566406 Potential at right wall /mV = -28.5779503 ________________________________________________________________________ Capacitance of left DL = 0.0511562824 Capacitance of right DL = 0.0505811184 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.3899111 Capacitance of right DL [F/m2] = 34.9920127 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.26296184 Adsorption of ion 1 on right wall = -4.45430992 Adsorption of ion 2 on left wall = -4.51808137 Adsorption of ion 2 on right wall = 6.04751817 ------------------------------------------------------------------------ net charge in left DL = -10.7810432 12.0481193 net charge in right DL = 10.5018281 -12.0481193 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.519829002 Relative adsorption of ion 1 on right wall = -0.369709977 Relative adsorption of ion 2 on left wall = -0.37500304 Relative adsorption of ion 2 on right wall = 0.501947068 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00902846959 Right electrode charge = -0.00902846959 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.76964 Bulk concentration of Na = 0.77043 ________________________________________________________________________ Average electrode charge 1 = 0.00709483194 Average electrode charge 2 = -0.00709483194 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367158 -1.060000 -0.537362 ________________________________________________________________________ Electrode charge exchange: 0.0631165038 Move Jump Cl: 0.94298 0.39756 Na: 0.94132 0.39709 ________________________________________________________________________ Create NaCl : 219050. / 554394. = 0.39512 Destroy NaCl : 219128. / 554850. = 0.39493 ________________________________________________________________________ Potential at left wall /kT = 1.09428513 Potential at right wall /kT = -1.10636306 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2881888 Potential at right wall /mV = -28.6004136 ________________________________________________________________________ Capacitance of left DL = 0.0574479184 Capacitance of right DL = 0.0568207713 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.3504428 Capacitance of right DL [F/m2] = 34.9645293 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.26518858 Adsorption of ion 1 on right wall = -4.45975962 Adsorption of ion 2 on left wall = -4.46827108 Adsorption of ion 2 on right wall = 6.04397712 ------------------------------------------------------------------------ net charge in left DL = -10.7334597 13.5450058 net charge in right DL = 10.5037367 -13.5450058 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.462546025 Relative adsorption of ion 1 on right wall = -0.329254907 Relative adsorption of ion 2 on left wall = -0.329883291 Relative adsorption of ion 2 on right wall = 0.446214436 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00690840312 Right electrode charge = -0.00690840312 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 237 -1.00 3.0000 1.5000 Na ion: 237 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.76996 Bulk concentration of Na = 0.77060 ________________________________________________________________________ Average electrode charge 1 = 0.00709802549 Average electrode charge 2 = -0.00709802549 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367789 -1.060000 -0.537994 ________________________________________________________________________ Electrode charge exchange: 0.0630970458 Move Jump Cl: 0.94296 0.39757 Na: 0.94136 0.39704 ________________________________________________________________________ Create NaCl : 224969. / 569410. = 0.39509 Destroy NaCl : 225032. / 569714. = 0.39499 ________________________________________________________________________ Potential at left wall /kT = 1.10354131 Potential at right wall /kT = -1.11522476 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5274689 Potential at right wall /mV = -28.8294959 ________________________________________________________________________ Capacitance of left DL = 0.0435892834 Capacitance of right DL = 0.0431326282 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.0539335 Capacitance of right DL [F/m2] = 34.6866974 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.25483409 Adsorption of ion 1 on right wall = -4.50282994 Adsorption of ion 2 on left wall = -4.46990891 Adsorption of ion 2 on right wall = 6.03316916 ------------------------------------------------------------------------ net charge in left DL = -10.724743 10.3643657 net charge in right DL = 10.5359991 -10.3643657 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.603494154 Relative adsorption of ion 1 on right wall = -0.434453018 Relative adsorption of ion 2 on left wall = -0.431276651 Relative adsorption of ion 2 on right wall = 0.582106937 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00601441683 Right electrode charge = -0.00601441683 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.77006 Bulk concentration of Na = 0.77055 ________________________________________________________________________ Average electrode charge 1 = 0.00709955121 Average electrode charge 2 = -0.00709955121 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367861 -1.060000 -0.538066 ________________________________________________________________________ Electrode charge exchange: 0.0631385928 Move Jump Cl: 0.94298 0.39764 Na: 0.94141 0.39702 ________________________________________________________________________ Create NaCl : 230941. / 584497. = 0.39511 Destroy NaCl : 231025. / 584758. = 0.39508 ________________________________________________________________________ Potential at left wall /kT = 1.09521687 Potential at right wall /kT = -1.10752511 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3122752 Potential at right wall /mV = -28.6304536 ________________________________________________________________________ Capacitance of left DL = 0.0382370212 Capacitance of right DL = 0.0378120822 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.3203688 Capacitance of right DL [F/m2] = 34.9278434 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.22827607 Adsorption of ion 1 on right wall = -4.48205898 Adsorption of ion 2 on left wall = -4.47047833 Adsorption of ion 2 on right wall = 6.07399005 ------------------------------------------------------------------------ net charge in left DL = -10.6987544 9.02315834 net charge in right DL = 10.556049 -9.02315834 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.690254546 Relative adsorption of ion 1 on right wall = -0.496728397 Relative adsorption of ion 2 on left wall = -0.495444961 Relative adsorption of ion 2 on right wall = 0.673155653 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 1 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00656786156 Right electrode charge = -0.00656786156 ------------------------------------------------------------------------ ------------------------------------------------------------------------ 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 = 0.76998 Bulk concentration of Na = 0.77054 ________________________________________________________________________ Average electrode charge 1 = 0.00709811026 Average electrode charge 2 = -0.00709811026 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.889795 -15.367744 -1.060000 -0.537949 ________________________________________________________________________ Electrode charge exchange: 0.0629503208 Move Jump Cl: 0.94300 0.39764 Na: 0.94139 0.39688 ________________________________________________________________________ Create NaCl : 236858. / 599696. = 0.39496 Destroy NaCl : 236960. / 599744. = 0.39510 ________________________________________________________________________ Potential at left wall /kT = 1.09167905 Potential at right wall /kT = -1.10404538 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2208195 Potential at right wall /mV = -28.5404995 ________________________________________________________________________ Capacitance of left DL = 0.0418908978 Capacitance of right DL = 0.0414216809 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.4348321 Capacitance of right DL [F/m2] = 35.0379292 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.26158671 Adsorption of ion 1 on right wall = -4.44576829 Adsorption of ion 2 on left wall = -4.44452195 Adsorption of ion 2 on right wall = 6.09484388 ------------------------------------------------------------------------ net charge in left DL = -10.7061087 9.85346651 net charge in right DL = 10.5406122 -9.85346651 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.635470442 Relative adsorption of ion 1 on right wall = -0.451188247 Relative adsorption of ion 2 on left wall = -0.45106176 Relative adsorption of ion 2 on right wall = 0.618548191 ________________________________________________________________________ End of iteration 1 ======================================================================== 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 247.084729 net charge on right wall /e = -247.084729 net charge on walls /e (starting) = 0. Initial sigma = 0.164695165 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 2 1 1. 0.770543731 1 -15.8897954 -15.367744 1 -1.06 -0.537948579 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 2 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00889756945 Right electrode charge = -0.00889756945 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01684 Bulk concentration of Na = 1.01846 ________________________________________________________________________ Average electrode charge 1 = 0.00891115193 Average electrode charge 2 = -0.00891115193 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.402733 -0.537949 -0.572938 ________________________________________________________________________ Electrode charge exchange: 0.0630360641 Move Jump Cl: 0.92841 0.37109 Na: 0.92794 0.36494 ________________________________________________________________________ Create NaCl : 5497. / 15085. = 0.36440 Destroy NaCl : 5495. / 14909. = 0.36857 ________________________________________________________________________ Potential at left wall /kT = 1.79176872 Potential at right wall /kT = -1.75297936 ------------------------------------------------------------------------ Potential at left wall /mV = 46.3187251 Potential at right wall /mV = -45.3159875 ________________________________________________________________________ Capacitance of left DL = 0.0345764251 Capacitance of right DL = 0.0353415211 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 21.5895407 Capacitance of right DL [F/m2] = 22.0672671 ________________________________________________________________________ Adsorption of ion 1 on left wall = 9.32737644 Adsorption of ion 1 on right wall = -5.51832356 Adsorption of ion 2 on left wall = -3.61198514 Adsorption of ion 2 on right wall = 6.94701486 ------------------------------------------------------------------------ net charge in left DL = -12.9393616 13.3486222 net charge in right DL = 12.4653384 -13.3486222 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.698751999 Relative adsorption of ion 1 on right wall = -0.413400235 Relative adsorption of ion 2 on left wall = -0.270588611 Relative adsorption of ion 2 on right wall = 0.520429356 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00680705725 Right electrode charge = -0.00680705725 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 317 -1.00 3.0000 1.5000 Na ion: 317 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00874 Bulk concentration of Na = 1.00831 ________________________________________________________________________ Average electrode charge 1 = 0.0082378752 Average electrode charge 2 = -0.0082378752 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.384726 -0.537949 -0.554931 ________________________________________________________________________ Electrode charge exchange: 0.0631066808 Move Jump Cl: 0.93268 0.37258 Na: 0.93068 0.36478 ________________________________________________________________________ Create NaCl : 10986. / 30116. = 0.36479 Destroy NaCl : 10969. / 29862. = 0.36732 ________________________________________________________________________ Potential at left wall /kT = 1.26542779 Potential at right wall /kT = -1.21206472 ------------------------------------------------------------------------ Potential at left wall /mV = 32.7123702 Potential at right wall /mV = -31.3328901 ________________________________________________________________________ Capacitance of left DL = 0.037455249 Capacitance of right DL = 0.0391042757 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.5694755 Capacitance of right DL [F/m2] = 31.9153451 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.81431151 Adsorption of ion 1 on right wall = -4.27609682 Adsorption of ion 2 on left wall = -4.01109997 Adsorption of ion 2 on right wall = 7.67377503 ------------------------------------------------------------------------ net charge in left DL = -11.8254115 10.212321 net charge in right DL = 11.9498718 -10.212321 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.765184673 Relative adsorption of ion 1 on right wall = -0.418719389 Relative adsorption of ion 2 on left wall = -0.39277065 Relative adsorption of ion 2 on right wall = 0.751423209 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00822057679 Right electrode charge = -0.00822057679 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00776 Bulk concentration of Na = 1.00413 ________________________________________________________________________ Average electrode charge 1 = 0.00821658746 Average electrode charge 2 = -0.00821658746 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.379589 -0.537949 -0.549794 ________________________________________________________________________ Electrode charge exchange: 0.0632386153 Move Jump Cl: 0.93175 0.37173 Na: 0.92979 0.36683 ________________________________________________________________________ Create NaCl : 16465. / 45225. = 0.36407 Destroy NaCl : 16468. / 44849. = 0.36719 ________________________________________________________________________ Potential at left wall /kT = 1.20537339 Potential at right wall /kT = -1.19258166 ------------------------------------------------------------------------ Potential at left wall /mV = 31.1599137 Potential at right wall /mV = -30.8292366 ________________________________________________________________________ Capacitance of left DL = 0.0474866292 Capacitance of right DL = 0.047995975 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 32.092515 Capacitance of right DL [F/m2] = 32.4367422 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.92817848 Adsorption of ion 1 on right wall = -4.48902707 Adsorption of ion 2 on left wall = -3.54965057 Adsorption of ion 2 on right wall = 8.05258832 ------------------------------------------------------------------------ net charge in left DL = -11.4778291 12.3329606 net charge in right DL = 12.5416154 -12.3329606 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.642844708 Relative adsorption of ion 1 on right wall = -0.363986167 Relative adsorption of ion 2 on left wall = -0.287818203 Relative adsorption of ion 2 on right wall = 0.652932297 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00693593559 Right electrode charge = -0.00693593559 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00740 Bulk concentration of Na = 1.00369 ________________________________________________________________________ Average electrode charge 1 = 0.0081396221 Average electrode charge 2 = -0.0081396221 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.378796 -0.537949 -0.549001 ________________________________________________________________________ Electrode charge exchange: 0.0633018027 Move Jump Cl: 0.93045 0.37065 Na: 0.92984 0.36667 ________________________________________________________________________ Create NaCl : 21968. / 60266. = 0.36452 Destroy NaCl : 21976. / 59774. = 0.36765 ________________________________________________________________________ Potential at left wall /kT = 0.954383186 Potential at right wall /kT = -0.925024694 ------------------------------------------------------------------------ Potential at left wall /mV = 24.6716063 Potential at right wall /mV = -23.9126646 ________________________________________________________________________ Capacitance of left DL = 0.0506026108 Capacitance of right DL = 0.0522086397 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 40.5324238 Capacitance of right DL [F/m2] = 41.8188443 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.78260374 Adsorption of ion 1 on right wall = -4.25756293 Adsorption of ion 2 on left wall = -3.47292606 Adsorption of ion 2 on right wall = 8.08410727 ------------------------------------------------------------------------ net charge in left DL = -11.2555298 10.4056714 net charge in right DL = 12.3416702 -10.4056714 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.747919423 Relative adsorption of ion 1 on right wall = -0.409157926 Relative adsorption of ion 2 on left wall = -0.333753194 Relative adsorption of ion 2 on right wall = 0.776894346 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00936335831 Right electrode charge = -0.00936335831 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 321 -1.00 3.0000 1.5000 Na ion: 321 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00968 Bulk concentration of Na = 1.00782 ________________________________________________________________________ Average electrode charge 1 = 0.00818930516 Average electrode charge 2 = -0.00818930516 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.385171 -0.537949 -0.555375 ________________________________________________________________________ Electrode charge exchange: 0.0633304038 Move Jump Cl: 0.93160 0.37058 Na: 0.93042 0.36678 ________________________________________________________________________ Create NaCl : 27492. / 75134. = 0.36591 Destroy NaCl : 27471. / 74690. = 0.36780 ________________________________________________________________________ Potential at left wall /kT = 0.902919864 Potential at right wall /kT = -0.842917556 ------------------------------------------------------------------------ Potential at left wall /mV = 23.3412362 Potential at right wall /mV = -21.7901262 ________________________________________________________________________ Capacitance of left DL = 0.072205967 Capacitance of right DL = 0.077345882 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 42.8426323 Capacitance of right DL [F/m2] = 45.8923455 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.19581281 Adsorption of ion 1 on right wall = -4.35500053 Adsorption of ion 2 on left wall = -4.40619347 Adsorption of ion 2 on right wall = 7.79209986 ------------------------------------------------------------------------ net charge in left DL = -11.6020063 14.0474242 net charge in right DL = 12.1471004 -14.0474242 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.512251406 Relative adsorption of ion 1 on right wall = -0.310021286 Relative adsorption of ion 2 on left wall = -0.313665581 Relative adsorption of ion 2 on right wall = 0.554699547 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00923785958 Right electrode charge = -0.00923785958 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00834 Bulk concentration of Na = 1.00657 ________________________________________________________________________ Average electrode charge 1 = 0.00820069946 Average electrode charge 2 = -0.00820069946 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.382597 -0.537949 -0.552802 ________________________________________________________________________ Electrode charge exchange: 0.063371988 Move Jump Cl: 0.93167 0.36927 Na: 0.93089 0.36625 ________________________________________________________________________ Create NaCl : 32900. / 90062. = 0.36530 Destroy NaCl : 32907. / 89738. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 0.803714617 Potential at right wall /kT = -0.738748291 ------------------------------------------------------------------------ Potential at left wall /mV = 20.7766973 Potential at right wall /mV = -19.0972633 ________________________________________________________________________ Capacitance of left DL = 0.0800313499 Capacitance of right DL = 0.0870693937 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 48.1308451 Capacitance of right DL [F/m2] = 52.3635238 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.87420624 Adsorption of ion 1 on right wall = -3.95951598 Adsorption of ion 2 on left wall = -4.72625293 Adsorption of ion 2 on right wall = 8.16034151 ------------------------------------------------------------------------ net charge in left DL = -11.6004592 13.8591441 net charge in right DL = 12.1198575 -13.8591441 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.496005104 Relative adsorption of ion 1 on right wall = -0.285697006 Relative adsorption of ion 2 on left wall = -0.341020548 Relative adsorption of ion 2 on right wall = 0.588805588 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00545121872 Right electrode charge = -0.00545121872 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 269 -1.00 3.0000 1.5000 Na ion: 269 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00933 Bulk concentration of Na = 1.00764 ________________________________________________________________________ Average electrode charge 1 = 0.00816234816 Average electrode charge 2 = -0.00816234816 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.384637 -0.537949 -0.554842 ________________________________________________________________________ Electrode charge exchange: 0.0634080781 Move Jump Cl: 0.93154 0.36934 Na: 0.93108 0.36668 ________________________________________________________________________ Create NaCl : 38369. / 105169. = 0.36483 Destroy NaCl : 38400. / 104690. = 0.36680 ________________________________________________________________________ Potential at left wall /kT = 0.637879642 Potential at right wall /kT = -0.560100459 ------------------------------------------------------------------------ Potential at left wall /mV = 16.4897241 Potential at right wall /mV = -14.4790669 ________________________________________________________________________ Capacitance of left DL = 0.0595039119 Capacitance of right DL = 0.0677670111 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 60.6438287 Capacitance of right DL [F/m2] = 69.0652241 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.78078858 Adsorption of ion 1 on right wall = -4.0084257 Adsorption of ion 2 on left wall = -4.68250188 Adsorption of ion 2 on right wall = 7.95069812 ------------------------------------------------------------------------ net charge in left DL = -11.4632905 8.17821761 net charge in right DL = 11.9591238 -8.17821761 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.829127923 Relative adsorption of ion 1 on right wall = -0.49013439 Relative adsorption of ion 2 on left wall = -0.57255775 Relative adsorption of ion 2 on right wall = 0.972179819 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00757679334 Right electrode charge = -0.00757679334 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01368 Bulk concentration of Na = 1.01260 ________________________________________________________________________ Average electrode charge 1 = 0.00803626204 Average electrode charge 2 = -0.00803626204 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.393859 -0.537949 -0.564064 ________________________________________________________________________ Electrode charge exchange: 0.0634430204 Move Jump Cl: 0.93202 0.36808 Na: 0.93122 0.36738 ________________________________________________________________________ Create NaCl : 43834. / 120246. = 0.36454 Destroy NaCl : 43834. / 119632. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 0.721080573 Potential at right wall /kT = -0.660349187 ------------------------------------------------------------------------ Potential at left wall /mV = 18.6405379 Potential at right wall /mV = -17.0705807 ________________________________________________________________________ Capacitance of left DL = 0.0731631338 Capacitance of right DL = 0.0798918443 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 53.6465205 Capacitance of right DL [F/m2] = 58.5803155 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.35901447 Adsorption of ion 1 on right wall = -4.54943761 Adsorption of ion 2 on left wall = -5.09834026 Adsorption of ion 2 on right wall = 7.22444099 ------------------------------------------------------------------------ net charge in left DL = -11.4573547 11.3671214 net charge in right DL = 11.7738786 -11.3671214 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55942171 Relative adsorption of ion 1 on right wall = -0.400227768 Relative adsorption of ion 2 on left wall = -0.448516392 Relative adsorption of ion 2 on right wall = 0.635555894 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00990631516 Right electrode charge = -0.00990631516 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01313 Bulk concentration of Na = 1.01224 ________________________________________________________________________ Average electrode charge 1 = 0.00807000209 Average electrode charge 2 = -0.00807000209 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.392953 -0.537949 -0.563158 ________________________________________________________________________ Electrode charge exchange: 0.0634273652 Move Jump Cl: 0.93224 0.36778 Na: 0.93156 0.36773 ________________________________________________________________________ Create NaCl : 49340. / 135176. = 0.36501 Destroy NaCl : 49329. / 134672. = 0.36629 ________________________________________________________________________ Potential at left wall /kT = 0.618917842 Potential at right wall /kT = -0.560099772 ------------------------------------------------------------------------ Potential at left wall /mV = 15.9995456 Potential at right wall /mV = -14.4790492 ________________________________________________________________________ Capacitance of left DL = 0.111447361 Capacitance of right DL = 0.123150845 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 62.501775 Capacitance of right DL [F/m2] = 69.0653087 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55646842 Adsorption of ion 1 on right wall = -4.86260565 Adsorption of ion 2 on left wall = -4.91950311 Adsorption of ion 2 on right wall = 6.8746043 ------------------------------------------------------------------------ net charge in left DL = -11.4759715 14.8619979 net charge in right DL = 11.73721 -14.8619979 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.441156597 Relative adsorption of ion 1 on right wall = -0.327183847 Relative adsorption of ion 2 on left wall = -0.331012233 Relative adsorption of ion 2 on right wall = 0.462562594 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00870481478 Right electrode charge = -0.00870481478 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 318 -1.00 3.0000 1.5000 Na ion: 318 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01289 Bulk concentration of Na = 1.01231 ________________________________________________________________________ Average electrode charge 1 = 0.00806587936 Average electrode charge 2 = -0.00806587936 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.392780 -0.537949 -0.562985 ________________________________________________________________________ Electrode charge exchange: 0.0634015253 Move Jump Cl: 0.93230 0.36821 Na: 0.93177 0.36729 ________________________________________________________________________ Create NaCl : 54869. / 150286. = 0.36510 Destroy NaCl : 54851. / 149427. = 0.36708 ________________________________________________________________________ Potential at left wall /kT = 0.720115465 Potential at right wall /kT = -0.672644318 ------------------------------------------------------------------------ Potential at left wall /mV = 18.6155891 Potential at right wall /mV = -17.3884201 ________________________________________________________________________ Capacitance of left DL = 0.084168202 Capacitance of right DL = 0.0901082821 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 53.7184182 Capacitance of right DL [F/m2] = 57.5095376 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.81272897 Adsorption of ion 1 on right wall = -5.0145127 Adsorption of ion 2 on left wall = -4.78791255 Adsorption of ion 2 on right wall = 6.75535912 ------------------------------------------------------------------------ net charge in left DL = -11.6006415 13.0594411 net charge in right DL = 11.7698718 -13.0594411 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.521670792 Relative adsorption of ion 1 on right wall = -0.383976058 Relative adsorption of ion 2 on left wall = -0.366624615 Relative adsorption of ion 2 on right wall = 0.517277813 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00788322896 Right electrode charge = -0.00788322896 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01554 Bulk concentration of Na = 1.01524 ________________________________________________________________________ Average electrode charge 1 = 0.00804339237 Average electrode charge 2 = -0.00804339237 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.398291 -0.537949 -0.568496 ________________________________________________________________________ Electrode charge exchange: 0.0634094007 Move Jump Cl: 0.93235 0.36836 Na: 0.93177 0.36696 ________________________________________________________________________ Create NaCl : 60363. / 165485. = 0.36476 Destroy NaCl : 60360. / 164323. = 0.36733 ________________________________________________________________________ Potential at left wall /kT = 0.788999752 Potential at right wall /kT = -0.737545291 ------------------------------------------------------------------------ Potential at left wall /mV = 20.3963057 Potential at right wall /mV = -19.0661647 ________________________________________________________________________ Capacitance of left DL = 0.0695693469 Capacitance of right DL = 0.074422816 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 49.0284865 Capacitance of right DL [F/m2] = 52.4489332 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44913475 Adsorption of ion 1 on right wall = -5.13072434 Adsorption of ion 2 on left wall = -5.21628599 Adsorption of ion 2 on right wall = 6.62424279 ------------------------------------------------------------------------ net charge in left DL = -11.6654207 11.8268529 net charge in right DL = 11.7549671 -11.8268529 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.54529593 Relative adsorption of ion 1 on right wall = -0.433819916 Relative adsorption of ion 2 on left wall = -0.44105444 Relative adsorption of ion 2 on right wall = 0.560101901 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00537381082 Right electrode charge = -0.00537381082 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01608 Bulk concentration of Na = 1.01648 ________________________________________________________________________ Average electrode charge 1 = 0.00802472177 Average electrode charge 2 = -0.00802472177 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400043 -0.537949 -0.570248 ________________________________________________________________________ Electrode charge exchange: 0.063293407 Move Jump Cl: 0.93242 0.36767 Na: 0.93216 0.36758 ________________________________________________________________________ Create NaCl : 65788. / 180662. = 0.36415 Destroy NaCl : 65801. / 179360. = 0.36687 ________________________________________________________________________ Potential at left wall /kT = 0.887474944 Potential at right wall /kT = -0.829096517 ------------------------------------------------------------------------ Potential at left wall /mV = 22.9419721 Potential at right wall /mV = -21.4328407 ________________________________________________________________________ Capacitance of left DL = 0.0421615846 Capacitance of right DL = 0.0451302703 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 43.5882319 Capacitance of right DL [F/m2] = 46.6573709 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63943313 Adsorption of ion 1 on right wall = -4.98659743 Adsorption of ion 2 on left wall = -5.17996492 Adsorption of ion 2 on right wall = 6.71526285 ------------------------------------------------------------------------ net charge in left DL = -11.8193981 8.06208603 net charge in right DL = 11.7018603 -8.06208603 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.823537866 Relative adsorption of ion 1 on right wall = -0.618524462 Relative adsorption of ion 2 on left wall = -0.642509259 Relative adsorption of ion 2 on right wall = 0.832943586 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00895202587 Right electrode charge = -0.00895202587 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01472 Bulk concentration of Na = 1.01541 ________________________________________________________________________ Average electrode charge 1 = 0.00799859685 Average electrode charge 2 = -0.00799859685 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.397646 -0.537949 -0.567851 ________________________________________________________________________ Electrode charge exchange: 0.0632897881 Move Jump Cl: 0.93201 0.36795 Na: 0.93228 0.36788 ________________________________________________________________________ Create NaCl : 71376. / 195600. = 0.36491 Destroy NaCl : 71387. / 194489. = 0.36705 ________________________________________________________________________ Potential at left wall /kT = 0.978466243 Potential at right wall /kT = -0.917890156 ------------------------------------------------------------------------ Potential at left wall /mV = 25.2941735 Potential at right wall /mV = -23.7282308 ________________________________________________________________________ Capacitance of left DL = 0.0637039166 Capacitance of right DL = 0.0679080514 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 39.5347964 Capacitance of right DL [F/m2] = 42.1438921 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.68219241 Adsorption of ion 1 on right wall = -4.96181784 Adsorption of ion 2 on left wall = -5.21696808 Adsorption of ion 2 on right wall = 6.73347294 ------------------------------------------------------------------------ net charge in left DL = -11.8991605 13.4303207 net charge in right DL = 11.6952908 -13.4303207 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.49754526 Relative adsorption of ion 1 on right wall = -0.369448947 Relative adsorption of ion 2 on left wall = -0.388447022 Relative adsorption of ion 2 on right wall = 0.501363526 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00355811393 Right electrode charge = -0.00355811393 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01554 Bulk concentration of Na = 1.01623 ________________________________________________________________________ Average electrode charge 1 = 0.00795045348 Average electrode charge 2 = -0.00795045348 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.399262 -0.537949 -0.569467 ________________________________________________________________________ Electrode charge exchange: 0.0632698026 Move Jump Cl: 0.93186 0.36819 Na: 0.93192 0.36810 ________________________________________________________________________ Create NaCl : 76746. / 210594. = 0.36443 Destroy NaCl : 76764. / 209542. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 0.924084689 Potential at right wall /kT = -0.856293383 ------------------------------------------------------------------------ Potential at left wall /mV = 23.8883647 Potential at right wall /mV = -22.1359026 ________________________________________________________________________ Capacitance of left DL = 0.0268101182 Capacitance of right DL = 0.0289326301 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 41.8613837 Capacitance of right DL [F/m2] = 45.1754789 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.55040772 Adsorption of ion 1 on right wall = -4.93756966 Adsorption of ion 2 on left wall = -5.24464961 Adsorption of ion 2 on right wall = 6.6552111 ------------------------------------------------------------------------ net charge in left DL = -11.7950573 5.33807788 net charge in right DL = 11.5927808 -5.33807788 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.22710981 Relative adsorption of ion 1 on right wall = -0.924971455 Relative adsorption of ion 2 on left wall = -0.98249777 Relative adsorption of ion 2 on right wall = 1.24674298 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00816643866 Right electrode charge = -0.00816643866 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 313 -1.00 3.0000 1.5000 Na ion: 313 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01590 Bulk concentration of Na = 1.01668 ________________________________________________________________________ Average electrode charge 1 = 0.00794736698 Average electrode charge 2 = -0.00794736698 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400069 -0.537949 -0.570273 ________________________________________________________________________ Electrode charge exchange: 0.0632491765 Move Jump Cl: 0.93192 0.36833 Na: 0.93213 0.36833 ________________________________________________________________________ Create NaCl : 82225. / 225648. = 0.36439 Destroy NaCl : 82212. / 224472. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 0.860136494 Potential at right wall /kT = -0.802350934 ------------------------------------------------------------------------ Potential at left wall /mV = 22.2352502 Potential at right wall /mV = -20.741445 ________________________________________________________________________ Capacitance of left DL = 0.066108299 Capacitance of right DL = 0.070869439 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 44.9736338 Capacitance of right DL [F/m2] = 48.2126487 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.645567 Adsorption of ion 1 on right wall = -4.93775189 Adsorption of ion 2 on left wall = -5.12240142 Adsorption of ion 2 on right wall = 6.60215525 ------------------------------------------------------------------------ net charge in left DL = -11.7679684 12.2517397 net charge in right DL = 11.5399071 -12.2517397 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.542418235 Relative adsorption of ion 1 on right wall = -0.403024552 Relative adsorption of ion 2 on left wall = -0.418095843 Relative adsorption of ion 2 on right wall = 0.538874922 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00861722293 Right electrode charge = -0.00861722293 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01685 Bulk concentration of Na = 1.01708 ________________________________________________________________________ Average electrode charge 1 = 0.00799603455 Average electrode charge 2 = -0.00799603455 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.401393 -0.537949 -0.571597 ________________________________________________________________________ Electrode charge exchange: 0.0632331231 Move Jump Cl: 0.93205 0.36862 Na: 0.93208 0.36824 ________________________________________________________________________ Create NaCl : 87712. / 240574. = 0.36459 Destroy NaCl : 87733. / 239557. = 0.36623 ________________________________________________________________________ Potential at left wall /kT = 0.886085571 Potential at right wall /kT = -0.834080549 ------------------------------------------------------------------------ Potential at left wall /mV = 22.9060556 Potential at right wall /mV = -21.5616822 ________________________________________________________________________ Capacitance of left DL = 0.0677145999 Capacitance of right DL = 0.0719366133 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 43.6565778 Capacitance of right DL [F/m2] = 46.3785707 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60637828 Adsorption of ion 1 on right wall = -5.08798109 Adsorption of ion 2 on left wall = -5.17276631 Adsorption of ion 2 on right wall = 6.62375764 ------------------------------------------------------------------------ net charge in left DL = -11.7791446 12.928031 net charge in right DL = 11.7117387 -12.928031 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.511011948 Relative adsorption of ion 1 on right wall = -0.393561951 Relative adsorption of ion 2 on left wall = -0.400120198 Relative adsorption of ion 2 on right wall = 0.512356264 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00914038015 Right electrode charge = -0.00914038015 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01611 Bulk concentration of Na = 1.01651 ________________________________________________________________________ Average electrode charge 1 = 0.00798249964 Average electrode charge 2 = -0.00798249964 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400098 -0.537949 -0.570303 ________________________________________________________________________ Electrode charge exchange: 0.0632964571 Move Jump Cl: 0.93227 0.36877 Na: 0.93215 0.36820 ________________________________________________________________________ Create NaCl : 93174. / 255430. = 0.36477 Destroy NaCl : 93182. / 254479. = 0.36617 ________________________________________________________________________ Potential at left wall /kT = 0.853974311 Potential at right wall /kT = -0.807510079 ------------------------------------------------------------------------ Potential at left wall /mV = 22.0759526 Potential at right wall /mV = -20.8748132 ________________________________________________________________________ Capacitance of left DL = 0.0745263934 Capacitance of right DL = 0.0788146515 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 45.2981585 Capacitance of right DL [F/m2] = 47.9046203 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.66183289 Adsorption of ion 1 on right wall = -5.09835437 Adsorption of ion 2 on left wall = -5.10929783 Adsorption of ion 2 on right wall = 6.55430119 ------------------------------------------------------------------------ net charge in left DL = -11.7711307 13.7129001 net charge in right DL = 11.6526556 -13.7129001 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.48580773 Relative adsorption of ion 1 on right wall = -0.371792569 Relative adsorption of ion 2 on left wall = -0.37259061 Relative adsorption of ion 2 on right wall = 0.477966085 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00809017396 Right electrode charge = -0.00809017396 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01495 Bulk concentration of Na = 1.01510 ________________________________________________________________________ Average electrode charge 1 = 0.00801034983 Average electrode charge 2 = -0.00801034983 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.397573 -0.537949 -0.567777 ________________________________________________________________________ Electrode charge exchange: 0.0633196663 Move Jump Cl: 0.93240 0.36872 Na: 0.93219 0.36835 ________________________________________________________________________ Create NaCl : 98664. / 270380. = 0.36491 Destroy NaCl : 98675. / 269555. = 0.36607 ________________________________________________________________________ Potential at left wall /kT = 0.898139314 Potential at right wall /kT = -0.86219232 ------------------------------------------------------------------------ Potential at left wall /mV = 23.217655 Potential at right wall /mV = -22.288395 ________________________________________________________________________ Capacitance of left DL = 0.0627198204 Capacitance of right DL = 0.0653347695 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 43.0706719 Capacitance of right DL [F/m2] = 44.8663979 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.77213494 Adsorption of ion 1 on right wall = -5.06429006 Adsorption of ion 2 on left wall = -5.04082625 Adsorption of ion 2 on right wall = 6.70325801 ------------------------------------------------------------------------ net charge in left DL = -11.8129612 12.1373232 net charge in right DL = 11.7675481 -12.1373232 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.557959514 Relative adsorption of ion 1 on right wall = -0.417249338 Relative adsorption of ion 2 on left wall = -0.415316143 Relative adsorption of ion 2 on right wall = 0.55228471 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00923859986 Right electrode charge = -0.00923859986 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01588 Bulk concentration of Na = 1.01633 ________________________________________________________________________ Average electrode charge 1 = 0.00805333088 Average electrode charge 2 = -0.00805333088 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.399701 -0.537949 -0.569905 ________________________________________________________________________ Electrode charge exchange: 0.0634141805 Move Jump Cl: 0.93220 0.36874 Na: 0.93211 0.36811 ________________________________________________________________________ Create NaCl : 104090. / 285485. = 0.36461 Destroy NaCl : 104085. / 284477. = 0.36588 ________________________________________________________________________ Potential at left wall /kT = 0.89857794 Potential at right wall /kT = -0.864997292 ------------------------------------------------------------------------ Potential at left wall /mV = 23.2289938 Potential at right wall /mV = -22.3609059 ________________________________________________________________________ Capacitance of left DL = 0.0715881365 Capacitance of right DL = 0.0743673082 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 43.0496476 Capacitance of right DL [F/m2] = 44.7209073 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.65229384 Adsorption of ion 1 on right wall = -4.92946493 Adsorption of ion 2 on left wall = -5.27103719 Adsorption of ion 2 on right wall = 6.86344088 ------------------------------------------------------------------------ net charge in left DL = -11.923331 13.8602547 net charge in right DL = 11.7929058 -13.8602547 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.479954659 Relative adsorption of ion 1 on right wall = -0.355654713 Relative adsorption of ion 2 on left wall = -0.380298723 Relative adsorption of ion 2 on right wall = 0.495188653 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0108022635 Right electrode charge = -0.0108022635 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 317 -1.00 3.0000 1.5000 Na ion: 317 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01637 Bulk concentration of Na = 1.01655 ________________________________________________________________________ Average electrode charge 1 = 0.00805898817 Average electrode charge 2 = -0.00805898817 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400403 -0.537949 -0.570607 ________________________________________________________________________ Electrode charge exchange: 0.0634557782 Move Jump Cl: 0.93221 0.36854 Na: 0.93215 0.36819 ________________________________________________________________________ Create NaCl : 109564. / 300488. = 0.36462 Destroy NaCl : 109547. / 299463. = 0.36581 ________________________________________________________________________ Potential at left wall /kT = 0.934234269 Potential at right wall /kT = -0.903023321 ------------------------------------------------------------------------ Potential at left wall /mV = 24.1507399 Potential at right wall /mV = -23.3439107 ________________________________________________________________________ Capacitance of left DL = 0.0805099629 Capacitance of right DL = 0.0832926068 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 41.4065989 Capacitance of right DL [F/m2] = 42.8377239 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5561588 Adsorption of ion 1 on right wall = -4.87607536 Adsorption of ion 2 on left wall = -5.3659446 Adsorption of ion 2 on right wall = 6.9938279 ------------------------------------------------------------------------ net charge in left DL = -11.9221034 16.2061488 net charge in right DL = 11.8699033 -16.2061488 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.404547611 Relative adsorption of ion 1 on right wall = -0.300878106 Relative adsorption of ion 2 on left wall = -0.331105475 Relative adsorption of ion 2 on right wall = 0.431553972 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00758056654 Right electrode charge = -0.00758056654 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01648 Bulk concentration of Na = 1.01627 ________________________________________________________________________ Average electrode charge 1 = 0.00807721363 Average electrode charge 2 = -0.00807721363 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400231 -0.537949 -0.570436 ________________________________________________________________________ Electrode charge exchange: 0.063436193 Move Jump Cl: 0.93226 0.36864 Na: 0.93221 0.36832 ________________________________________________________________________ Create NaCl : 115082. / 315536. = 0.36472 Destroy NaCl : 115074. / 314475. = 0.36592 ________________________________________________________________________ Potential at left wall /kT = 0.964516902 Potential at right wall /kT = -0.935434933 ------------------------------------------------------------------------ Potential at left wall /mV = 24.9335713 Potential at right wall /mV = -24.181778 ________________________________________________________________________ Capacitance of left DL = 0.0547245847 Capacitance of right DL = 0.0564259309 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 40.106569 Capacitance of right DL [F/m2] = 41.3534521 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58116262 Adsorption of ion 1 on right wall = -4.9900104 Adsorption of ion 2 on left wall = -5.33474715 Adsorption of ion 2 on right wall = 6.98902746 ------------------------------------------------------------------------ net charge in left DL = -11.9159098 11.3727821 net charge in right DL = 11.9790379 -11.3727821 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.578676575 Relative adsorption of ion 1 on right wall = -0.438767783 Relative adsorption of ion 2 on left wall = -0.46908022 Relative adsorption of ion 2 on right wall = 0.614539818 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00636076289 Right electrode charge = -0.00636076289 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01677 Bulk concentration of Na = 1.01700 ________________________________________________________________________ Average electrode charge 1 = 0.00808337823 Average electrode charge 2 = -0.00808337823 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.401235 -0.537949 -0.571439 ________________________________________________________________________ Electrode charge exchange: 0.0635123718 Move Jump Cl: 0.93230 0.36863 Na: 0.93228 0.36857 ________________________________________________________________________ Create NaCl : 120572. / 330402. = 0.36493 Destroy NaCl : 120572. / 329524. = 0.36590 ________________________________________________________________________ Potential at left wall /kT = 0.967852124 Potential at right wall /kT = -0.936879042 ------------------------------------------------------------------------ Potential at left wall /mV = 25.0197896 Potential at right wall /mV = -24.2191095 ________________________________________________________________________ Capacitance of left DL = 0.0457605096 Capacitance of right DL = 0.0472733453 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 39.9683616 Capacitance of right DL [F/m2] = 41.2897097 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49061415 Adsorption of ion 1 on right wall = -5.13626313 Adsorption of ion 2 on left wall = -5.50450605 Adsorption of ion 2 on right wall = 6.79071668 ------------------------------------------------------------------------ net charge in left DL = -11.9951202 9.54276573 net charge in right DL = 11.9269798 -9.54276573 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.680160692 Relative adsorption of ion 1 on right wall = -0.538236322 Relative adsorption of ion 2 on left wall = -0.576825022 Relative adsorption of ion 2 on right wall = 0.711608864 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00844064732 Right electrode charge = -0.00844064732 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01636 Bulk concentration of Na = 1.01660 ________________________________________________________________________ Average electrode charge 1 = 0.00805433544 Average electrode charge 2 = -0.00805433544 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400433 -0.537949 -0.570638 ________________________________________________________________________ Electrode charge exchange: 0.0635951829 Move Jump Cl: 0.93228 0.36871 Na: 0.93238 0.36880 ________________________________________________________________________ Create NaCl : 126027. / 345301. = 0.36498 Destroy NaCl : 126030. / 344270. = 0.36608 ________________________________________________________________________ Potential at left wall /kT = 0.98972055 Potential at right wall /kT = -0.963759085 ------------------------------------------------------------------------ Potential at left wall /mV = 25.5851068 Potential at right wall /mV = -24.9139811 ________________________________________________________________________ Capacitance of left DL = 0.0593818631 Capacitance of right DL = 0.0609814746 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 39.0852385 Capacitance of right DL [F/m2] = 40.1381054 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.56117552 Adsorption of ion 1 on right wall = -5.09010419 Adsorption of ion 2 on left wall = -5.41412734 Adsorption of ion 2 on right wall = 6.81457846 ------------------------------------------------------------------------ net charge in left DL = -11.9753029 12.6631225 net charge in right DL = 11.9046827 -12.6631225 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.518132514 Relative adsorption of ion 1 on right wall = -0.4019628 Relative adsorption of ion 2 on left wall = -0.427550734 Relative adsorption of ion 2 on right wall = 0.538143609 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0083014498 Right electrode charge = -0.0083014498 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01637 Bulk concentration of Na = 1.01681 ________________________________________________________________________ Average electrode charge 1 = 0.00804774473 Average electrode charge 2 = -0.00804774473 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400654 -0.537949 -0.570859 ________________________________________________________________________ Electrode charge exchange: 0.0636038639 Move Jump Cl: 0.93221 0.36841 Na: 0.93241 0.36868 ________________________________________________________________________ Create NaCl : 131466. / 360153. = 0.36503 Destroy NaCl : 131455. / 359294. = 0.36587 ________________________________________________________________________ Potential at left wall /kT = 1.01938167 Potential at right wall /kT = -0.992372266 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3518717 Potential at right wall /mV = -25.6536559 ________________________________________________________________________ Capacitance of left DL = 0.0567032272 Capacitance of right DL = 0.0582465196 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.9479685 Capacitance of right DL [F/m2] = 38.9807989 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49356818 Adsorption of ion 1 on right wall = -5.03491585 Adsorption of ion 2 on left wall = -5.52362784 Adsorption of ion 2 on right wall = 6.85547702 ------------------------------------------------------------------------ net charge in left DL = -12.017196 12.4542908 net charge in right DL = 11.8903929 -12.4542908 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.521392048 Relative adsorption of ion 1 on right wall = -0.404271583 Relative adsorption of ion 2 on left wall = -0.443512034 Relative adsorption of ion 2 on right wall = 0.550451017 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00756790294 Right electrode charge = -0.00756790294 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01610 Bulk concentration of Na = 1.01647 ________________________________________________________________________ Average electrode charge 1 = 0.0080606876 Average electrode charge 2 = -0.0080606876 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400049 -0.537949 -0.570254 ________________________________________________________________________ Electrode charge exchange: 0.0636404561 Move Jump Cl: 0.93225 0.36847 Na: 0.93252 0.36888 ________________________________________________________________________ Create NaCl : 136956. / 375024. = 0.36519 Destroy NaCl : 136982. / 374428. = 0.36584 ________________________________________________________________________ Potential at left wall /kT = 1.03756129 Potential at right wall /kT = -1.01650421 ------------------------------------------------------------------------ Potential at left wall /mV = 26.82183 Potential at right wall /mV = -26.2774868 ________________________________________________________________________ Capacitance of left DL = 0.0507869867 Capacitance of right DL = 0.0518390491 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.2830638 Capacitance of right DL [F/m2] = 38.0553897 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47075639 Adsorption of ion 1 on right wall = -5.01386161 Adsorption of ion 2 on left wall = -5.57099418 Adsorption of ion 2 on right wall = 6.92109448 ------------------------------------------------------------------------ net charge in left DL = -12.0417506 11.3537835 net charge in right DL = 11.9349561 -11.3537835 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.569920713 Relative adsorption of ion 1 on right wall = -0.441602714 Relative adsorption of ion 2 on left wall = -0.490672927 Relative adsorption of ion 2 on right wall = 0.609584856 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00523916159 Right electrode charge = -0.00523916159 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01639 Bulk concentration of Na = 1.01643 ________________________________________________________________________ Average electrode charge 1 = 0.00804215227 Average electrode charge 2 = -0.00804215227 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400297 -0.537949 -0.570502 ________________________________________________________________________ Electrode charge exchange: 0.0636313948 Move Jump Cl: 0.93232 0.36831 Na: 0.93231 0.36863 ________________________________________________________________________ Create NaCl : 142526. / 390127. = 0.36533 Destroy NaCl : 142518. / 389556. = 0.36585 ________________________________________________________________________ Potential at left wall /kT = 1.0417907 Potential at right wall /kT = -1.02165351 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9311638 Potential at right wall /mV = -26.4106005 ________________________________________________________________________ Capacitance of left DL = 0.0350164384 Capacitance of right DL = 0.0357066261 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1317039 Capacitance of right DL [F/m2] = 37.8635843 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.37644278 Adsorption of ion 1 on right wall = -5.04610979 Adsorption of ion 2 on left wall = -5.59539498 Adsorption of ion 2 on right wall = 6.91412168 ------------------------------------------------------------------------ net charge in left DL = -11.9718378 7.86007787 net charge in right DL = 11.9602315 -7.86007787 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.811244224 Relative adsorption of ion 1 on right wall = -0.64199234 Relative adsorption of ion 2 on left wall = -0.711875261 Relative adsorption of ion 2 on right wall = 0.879650532 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00675571719 Right electrode charge = -0.00675571719 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01635 Bulk concentration of Na = 1.01650 ________________________________________________________________________ Average electrode charge 1 = 0.00802710828 Average electrode charge 2 = -0.00802710828 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400330 -0.537949 -0.570535 ________________________________________________________________________ Electrode charge exchange: 0.0636624654 Move Jump Cl: 0.93256 0.36827 Na: 0.93249 0.36839 ________________________________________________________________________ Create NaCl : 147924. / 405279. = 0.36499 Destroy NaCl : 147942. / 404641. = 0.36561 ________________________________________________________________________ Potential at left wall /kT = 1.05278962 Potential at right wall /kT = -1.03292937 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2154951 Potential at right wall /mV = -26.7020912 ________________________________________________________________________ Capacitance of left DL = 0.0446807568 Capacitance of right DL = 0.0455398384 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.743774 Capacitance of right DL [F/m2] = 37.4502504 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.38276173 Adsorption of ion 1 on right wall = -5.01684074 Adsorption of ion 2 on left wall = -5.59221797 Adsorption of ion 2 on right wall = 6.9142166 ------------------------------------------------------------------------ net charge in left DL = -11.9749797 10.1352978 net charge in right DL = 11.9310573 -10.1352978 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.629755714 Relative adsorption of ion 1 on right wall = -0.494987006 Relative adsorption of ion 2 on left wall = -0.551756649 Relative adsorption of ion 2 on right wall = 0.682191752 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00914239042 Right electrode charge = -0.00914239042 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01604 Bulk concentration of Na = 1.01582 ________________________________________________________________________ Average electrode charge 1 = 0.00799411018 Average electrode charge 2 = -0.00799411018 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.399352 -0.537949 -0.569557 ________________________________________________________________________ Electrode charge exchange: 0.0636382084 Move Jump Cl: 0.93259 0.36817 Na: 0.93265 0.36846 ________________________________________________________________________ Create NaCl : 153509. / 420029. = 0.36547 Destroy NaCl : 153498. / 419817. = 0.36563 ________________________________________________________________________ Potential at left wall /kT = 1.06552502 Potential at right wall /kT = -1.04334643 ------------------------------------------------------------------------ Potential at left wall /mV = 27.544716 Potential at right wall /mV = -26.9713808 ________________________________________________________________________ Capacitance of left DL = 0.0597429637 Capacitance of right DL = 0.0610129301 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3046037 Capacitance of right DL [F/m2] = 37.0763369 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.31276447 Adsorption of ion 1 on right wall = -4.99459922 Adsorption of ion 2 on left wall = -5.57061925 Adsorption of ion 2 on right wall = 6.95203849 ------------------------------------------------------------------------ net charge in left DL = -11.8833837 13.7159161 net charge in right DL = 11.9466377 -13.7159161 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.460251028 Relative adsorption of ion 1 on right wall = -0.364146237 Relative adsorption of ion 2 on left wall = -0.406142705 Relative adsorption of ion 2 on right wall = 0.506859217 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00790983373 Right electrode charge = -0.00790983373 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01624 Bulk concentration of Na = 1.01597 ________________________________________________________________________ Average electrode charge 1 = 0.00804343198 Average electrode charge 2 = -0.00804343198 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.399694 -0.537949 -0.569899 ________________________________________________________________________ Electrode charge exchange: 0.0636190375 Move Jump Cl: 0.93257 0.36782 Na: 0.93255 0.36835 ________________________________________________________________________ Create NaCl : 158850. / 434991. = 0.36518 Destroy NaCl : 158862. / 434819. = 0.36535 ________________________________________________________________________ Potential at left wall /kT = 1.07174628 Potential at right wall /kT = -1.05184172 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7055407 Potential at right wall /mV = -27.190991 ________________________________________________________________________ Capacitance of left DL = 0.0513885098 Capacitance of right DL = 0.052360962 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0938634 Capacitance of right DL [F/m2] = 36.7768868 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49620245 Adsorption of ion 1 on right wall = -5.04335617 Adsorption of ion 2 on left wall = -5.45847528 Adsorption of ion 2 on right wall = 6.98922472 ------------------------------------------------------------------------ net charge in left DL = -11.9546777 11.8667668 net charge in right DL = 12.0325809 -11.8667668 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.547428169 Relative adsorption of ion 1 on right wall = -0.424998336 Relative adsorption of ion 2 on left wall = -0.459979989 Relative adsorption of ion 2 on right wall = 0.588974639 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00834475732 Right electrode charge = -0.00834475732 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01600 Bulk concentration of Na = 1.01555 ________________________________________________________________________ Average electrode charge 1 = 0.00803689857 Average electrode charge 2 = -0.00803689857 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.399054 -0.537949 -0.569258 ________________________________________________________________________ Electrode charge exchange: 0.0635853111 Move Jump Cl: 0.93270 0.36781 Na: 0.93273 0.36836 ________________________________________________________________________ Create NaCl : 164400. / 450097. = 0.36525 Destroy NaCl : 164399. / 449782. = 0.36551 ________________________________________________________________________ Potential at left wall /kT = 1.08148937 Potential at right wall /kT = -1.07034501 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9574079 Potential at right wall /mV = -27.6693168 ________________________________________________________________________ Capacitance of left DL = 0.0537257031 Capacitance of right DL = 0.0542850915 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7686952 Capacitance of right DL [F/m2] = 36.1411164 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47999841 Adsorption of ion 1 on right wall = -5.0083177 Adsorption of ion 2 on left wall = -5.44931044 Adsorption of ion 2 on right wall = 7.05360679 ------------------------------------------------------------------------ net charge in left DL = -11.9293088 12.5192631 net charge in right DL = 12.0619245 -12.5192631 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.517602223 Relative adsorption of ion 1 on right wall = -0.400048921 Relative adsorption of ion 2 on left wall = -0.435274057 Relative adsorption of ion 2 on right wall = 0.563420285 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00739002746 Right electrode charge = -0.00739002746 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01581 Bulk concentration of Na = 1.01529 ________________________________________________________________________ Average electrode charge 1 = 0.00804782002 Average electrode charge 2 = -0.00804782002 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.398603 -0.537949 -0.568807 ________________________________________________________________________ Electrode charge exchange: 0.0635881057 Move Jump Cl: 0.93267 0.36788 Na: 0.93284 0.36839 ________________________________________________________________________ Create NaCl : 169889. / 465206. = 0.36519 Destroy NaCl : 169905. / 464933. = 0.36544 ________________________________________________________________________ Potential at left wall /kT = 1.07010777 Potential at right wall /kT = -1.06022769 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6631839 Potential at right wall /mV = -27.4077754 ________________________________________________________________________ Capacitance of left DL = 0.048084952 Capacitance of right DL = 0.0485330477 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1491288 Capacitance of right DL [F/m2] = 36.4859966 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57240204 Adsorption of ion 1 on right wall = -5.04501947 Adsorption of ion 2 on left wall = -5.35533261 Adsorption of ion 2 on right wall = 7.03427814 ------------------------------------------------------------------------ net charge in left DL = -11.9277346 11.0869249 net charge in right DL = 12.0792976 -11.0869249 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.592806578 Relative adsorption of ion 1 on right wall = -0.455042268 Relative adsorption of ion 2 on left wall = -0.483031376 Relative adsorption of ion 2 on right wall = 0.63446611 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0110302419 Right electrode charge = -0.0110302419 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01594 Bulk concentration of Na = 1.01552 ________________________________________________________________________ Average electrode charge 1 = 0.00806010248 Average electrode charge 2 = -0.00806010248 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.398957 -0.537949 -0.569162 ________________________________________________________________________ Electrode charge exchange: 0.0636257191 Move Jump Cl: 0.93245 0.36792 Na: 0.93273 0.36833 ________________________________________________________________________ Create NaCl : 175374. / 480274. = 0.36515 Destroy NaCl : 175383. / 479854. = 0.36549 ________________________________________________________________________ Potential at left wall /kT = 1.05374146 Potential at right wall /kT = -1.04721308 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2401009 Potential at right wall /mV = -27.0713368 ________________________________________________________________________ Capacitance of left DL = 0.0728855816 Capacitance of right DL = 0.0733399541 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7105835 Capacitance of right DL [F/m2] = 36.9394391 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.67203813 Adsorption of ion 1 on right wall = -5.00135093 Adsorption of ion 2 on left wall = -5.27894816 Adsorption of ion 2 on right wall = 7.07356799 ------------------------------------------------------------------------ net charge in left DL = -11.9509863 16.5481745 net charge in right DL = 12.0749189 -16.5481745 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.40318877 Relative adsorption of ion 1 on right wall = -0.302229767 Relative adsorption of ion 2 on left wall = -0.319004863 Relative adsorption of ion 2 on right wall = 0.427453069 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00464289724 Right electrode charge = -0.00464289724 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01662 Bulk concentration of Na = 1.01625 ________________________________________________________________________ Average electrode charge 1 = 0.00805912212 Average electrode charge 2 = -0.00805912212 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400347 -0.537949 -0.570551 ________________________________________________________________________ Electrode charge exchange: 0.0637143469 Move Jump Cl: 0.93227 0.36795 Na: 0.93279 0.36810 ________________________________________________________________________ Create NaCl : 180772. / 495376. = 0.36492 Destroy NaCl : 180777. / 494921. = 0.36526 ________________________________________________________________________ Potential at left wall /kT = 1.05217111 Potential at right wall /kT = -1.047414 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1995062 Potential at right wall /mV = -27.0765309 ________________________________________________________________________ Capacitance of left DL = 0.0307251033 Capacitance of right DL = 0.0308646495 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7653734 Capacitance of right DL [F/m2] = 36.9323531 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.66354593 Adsorption of ion 1 on right wall = -5.01964801 Adsorption of ion 2 on left wall = -5.29393398 Adsorption of ion 2 on right wall = 7.0453337 ------------------------------------------------------------------------ net charge in left DL = -11.9574799 6.96552935 net charge in right DL = 12.0649817 -6.96552935 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.95664602 Relative adsorption of ion 1 on right wall = -0.720641284 Relative adsorption of ion 2 on left wall = -0.760018903 Relative adsorption of ion 2 on right wall = 1.01145704 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00752451215 Right electrode charge = -0.00752451215 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01653 Bulk concentration of Na = 1.01605 ________________________________________________________________________ Average electrode charge 1 = 0.00806464381 Average electrode charge 2 = -0.00806464381 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400055 -0.537949 -0.570259 ________________________________________________________________________ Electrode charge exchange: 0.0637314724 Move Jump Cl: 0.93238 0.36794 Na: 0.93297 0.36794 ________________________________________________________________________ Create NaCl : 186218. / 510368. = 0.36487 Destroy NaCl : 186212. / 509933. = 0.36517 ________________________________________________________________________ Potential at left wall /kT = 1.04116398 Potential at right wall /kT = -1.03660964 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9149626 Potential at right wall /mV = -26.7972292 ________________________________________________________________________ Capacitance of left DL = 0.0503210699 Capacitance of right DL = 0.0505421551 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1540549 Capacitance of right DL [F/m2] = 37.317291 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.69284287 Adsorption of ion 1 on right wall = -5.00911595 Adsorption of ion 2 on left wall = -5.24839637 Adsorption of ion 2 on right wall = 7.07346931 ------------------------------------------------------------------------ net charge in left DL = -11.9412392 11.2886863 net charge in right DL = 12.0825853 -11.2886863 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.592880582 Relative adsorption of ion 1 on right wall = -0.443728866 Relative adsorption of ion 2 on left wall = -0.464925347 Relative adsorption of ion 2 on right wall = 0.626598096 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00853168933 Right electrode charge = -0.00853168933 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01611 Bulk concentration of Na = 1.01559 ________________________________________________________________________ Average electrode charge 1 = 0.00807398009 Average electrode charge 2 = -0.00807398009 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.399202 -0.537949 -0.569407 ________________________________________________________________________ Electrode charge exchange: 0.0637825489 Move Jump Cl: 0.93231 0.36801 Na: 0.93285 0.36797 ________________________________________________________________________ Create NaCl : 191760. / 525481. = 0.36492 Destroy NaCl : 191769. / 524890. = 0.36535 ________________________________________________________________________ Potential at left wall /kT = 1.03986257 Potential at right wall /kT = -1.03813183 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8813201 Potential at right wall /mV = -26.836579 ________________________________________________________________________ Capacitance of left DL = 0.0571280945 Capacitance of right DL = 0.0572233368 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.2005539 Capacitance of right DL [F/m2] = 37.2625736 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.77586137 Adsorption of ion 1 on right wall = -4.96794625 Adsorption of ion 2 on left wall = -5.17427434 Adsorption of ion 2 on right wall = 7.13407899 ------------------------------------------------------------------------ net charge in left DL = -11.9501357 12.7997088 net charge in right DL = 12.1020252 -12.7997088 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.529376214 Relative adsorption of ion 1 on right wall = -0.388129632 Relative adsorption of ion 2 on left wall = -0.404249381 Relative adsorption of ion 2 on right wall = 0.557362603 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00580572708 Right electrode charge = -0.00580572708 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01570 Bulk concentration of Na = 1.01518 ________________________________________________________________________ Average electrode charge 1 = 0.00805741667 Average electrode charge 2 = -0.00805741667 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.398379 -0.537949 -0.568584 ________________________________________________________________________ Electrode charge exchange: 0.0636950899 Move Jump Cl: 0.93234 0.36810 Na: 0.93296 0.36801 ________________________________________________________________________ Create NaCl : 197253. / 540397. = 0.36501 Destroy NaCl : 197242. / 539928. = 0.36531 ________________________________________________________________________ Potential at left wall /kT = 1.03414783 Potential at right wall /kT = -1.0331317 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7335892 Potential at right wall /mV = -26.7073213 ________________________________________________________________________ Capacitance of left DL = 0.0390899077 Capacitance of right DL = 0.0391283544 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.4061257 Capacitance of right DL [F/m2] = 37.4429164 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.80192294 Adsorption of ion 1 on right wall = -5.00767845 Adsorption of ion 2 on left wall = -5.12102924 Adsorption of ion 2 on right wall = 7.06744529 ------------------------------------------------------------------------ net charge in left DL = -11.9229522 8.71007052 net charge in right DL = 12.0751237 -8.71007052 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.780926277 Relative adsorption of ion 1 on right wall = -0.574929725 Relative adsorption of ion 2 on left wall = -0.587943488 Relative adsorption of ion 2 on right wall = 0.8114108 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00478350995 Right electrode charge = -0.00478350995 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01557 Bulk concentration of Na = 1.01498 ________________________________________________________________________ Average electrode charge 1 = 0.00805549027 Average electrode charge 2 = -0.00805549027 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.398063 -0.537949 -0.568267 ________________________________________________________________________ Electrode charge exchange: 0.0636346359 Move Jump Cl: 0.93239 0.36831 Na: 0.93298 0.36809 ________________________________________________________________________ Create NaCl : 202788. / 555560. = 0.36502 Destroy NaCl : 202788. / 554786. = 0.36552 ________________________________________________________________________ Potential at left wall /kT = 1.03591699 Potential at right wall /kT = -1.03264574 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7793236 Potential at right wall /mV = -26.694759 ________________________________________________________________________ Capacitance of left DL = 0.0321523246 Capacitance of right DL = 0.0322541779 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3422426 Capacitance of right DL [F/m2] = 37.4605367 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.80403653 Adsorption of ion 1 on right wall = -4.97555175 Adsorption of ion 2 on left wall = -5.10581888 Adsorption of ion 2 on right wall = 7.10941265 ------------------------------------------------------------------------ net charge in left DL = -11.9098554 7.17648427 net charge in right DL = 12.0849644 -7.17648427 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.948101644 Relative adsorption of ion 1 on right wall = -0.693313267 Relative adsorption of ion 2 on left wall = -0.71146521 Relative adsorption of ion 2 on right wall = 0.990653973 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00819038699 Right electrode charge = -0.00819038699 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01638 Bulk concentration of Na = 1.01564 ________________________________________________________________________ Average electrode charge 1 = 0.008054211 Average electrode charge 2 = -0.008054211 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.399510 -0.537949 -0.569714 ________________________________________________________________________ Electrode charge exchange: 0.0636480911 Move Jump Cl: 0.93250 0.36843 Na: 0.93285 0.36798 ________________________________________________________________________ Create NaCl : 208177. / 570602. = 0.36484 Destroy NaCl : 208179. / 569703. = 0.36542 ________________________________________________________________________ Potential at left wall /kT = 1.03576022 Potential at right wall /kT = -1.03207551 ------------------------------------------------------------------------ Potential at left wall /mV = 26.775271 Potential at right wall /mV = -26.6800181 ________________________________________________________________________ Capacitance of left DL = 0.0550599542 Capacitance of right DL = 0.0552565291 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3478946 Capacitance of right DL [F/m2] = 37.4812339 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.70166218 Adsorption of ion 1 on right wall = -4.98031019 Adsorption of ion 2 on left wall = -5.18669463 Adsorption of ion 2 on right wall = 7.12206107 ------------------------------------------------------------------------ net charge in left DL = -11.8883568 12.2876683 net charge in right DL = 12.1023713 -12.2876683 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.545397389 Relative adsorption of ion 1 on right wall = -0.405309623 Relative adsorption of ion 2 on left wall = -0.422105685 Relative adsorption of ion 2 on right wall = 0.579610462 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.008594571 Right electrode charge = -0.008594571 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01659 Bulk concentration of Na = 1.01603 ________________________________________________________________________ Average electrode charge 1 = 0.00806808599 Average electrode charge 2 = -0.00806808599 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400098 -0.537949 -0.570302 ________________________________________________________________________ Electrode charge exchange: 0.0636150047 Move Jump Cl: 0.93250 0.36821 Na: 0.93280 0.36789 ________________________________________________________________________ Create NaCl : 213534. / 585711. = 0.36457 Destroy NaCl : 213539. / 584679. = 0.36522 ________________________________________________________________________ Potential at left wall /kT = 1.05151575 Potential at right wall /kT = -1.04868257 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1825645 Potential at right wall /mV = -27.1093244 ________________________________________________________________________ Capacitance of left DL = 0.0569113746 Capacitance of right DL = 0.0570651297 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7882876 Capacitance of right DL [F/m2] = 36.8876769 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.71856571 Adsorption of ion 1 on right wall = -4.98983087 Adsorption of ion 2 on left wall = -5.22715859 Adsorption of ion 2 on right wall = 7.11970722 ------------------------------------------------------------------------ net charge in left DL = -11.9457243 12.8940473 net charge in right DL = 12.1095381 -12.8940473 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.52105949 Relative adsorption of ion 1 on right wall = -0.38698717 Relative adsorption of ion 2 on left wall = -0.405393161 Relative adsorption of ion 2 on right wall = 0.552170087 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 2 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00518196809 Right electrode charge = -0.00518196809 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 326 -1.00 3.0000 1.5000 Na ion: 326 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01659 Bulk concentration of Na = 1.01600 ________________________________________________________________________ Average electrode charge 1 = 0.00807260461 Average electrode charge 2 = -0.00807260461 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.367744 -15.400063 -0.537949 -0.570268 ________________________________________________________________________ Electrode charge exchange: 0.0636373277 Move Jump Cl: 0.93242 0.36829 Na: 0.93284 0.36770 ________________________________________________________________________ Create NaCl : 219072. / 600770. = 0.36465 Destroy NaCl : 219046. / 599713. = 0.36525 ________________________________________________________________________ Potential at left wall /kT = 1.06554163 Potential at right wall /kT = -1.06121441 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5451454 Potential at right wall /mV = -27.4332832 ________________________________________________________________________ Capacitance of left DL = 0.033862184 Capacitance of right DL = 0.0340002607 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3040379 Capacitance of right DL [F/m2] = 36.4520715 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.7816478 Adsorption of ion 1 on right wall = -5.06125262 Adsorption of ion 2 on left wall = -5.17561672 Adsorption of ion 2 on right wall = 7.0693437 ------------------------------------------------------------------------ net charge in left DL = -11.9572645 7.77427305 net charge in right DL = 12.1305963 -7.77427305 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.87231922 Relative adsorption of ion 1 on right wall = -0.651025837 Relative adsorption of ion 2 on left wall = -0.665736421 Relative adsorption of ion 2 on right wall = 0.909325368 ________________________________________________________________________ End of iteration 2 ======================================================================== 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 247.084729 net charge on right wall /e = -247.084729 net charge on walls /e (starting) = 0. Initial sigma = 0.164695165 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 3 1 1. 1.01599505 1 -15.367744 -15.4000633 1 -1.06 -0.570267932 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 3 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0104372696 Right electrode charge = -0.0104372696 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99591 Bulk concentration of Na = 0.99376 ________________________________________________________________________ Average electrode charge 1 = 0.0096699523 Average electrode charge 2 = -0.0096699523 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.389703 -0.570268 -0.559908 ________________________________________________________________________ Electrode charge exchange: 0.063764991 Move Jump Cl: 0.93066 0.37236 Na: 0.93801 0.36878 ________________________________________________________________________ Create NaCl : 5552. / 15086. = 0.36802 Destroy NaCl : 5550. / 14961. = 0.37096 ________________________________________________________________________ Potential at left wall /kT = 1.7085764 Potential at right wall /kT = -1.56721113 ------------------------------------------------------------------------ Potential at left wall /mV = 44.1681337 Potential at right wall /mV = -40.5137229 ________________________________________________________________________ Capacitance of left DL = 0.0425346783 Capacitance of right DL = 0.046371383 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 22.6407574 Capacitance of right DL [F/m2] = 24.6829945 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.73485137 Adsorption of ion 1 on right wall = -3.3999153 Adsorption of ion 2 on left wall = -6.67771849 Adsorption of ion 2 on right wall = 10.6434815 ------------------------------------------------------------------------ net charge in left DL = -13.4125699 15.6585649 net charge in right DL = 14.0433968 -15.6585649 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.430106551 Relative adsorption of ion 1 on right wall = -0.217128154 Relative adsorption of ion 2 on left wall = -0.426457885 Relative adsorption of ion 2 on right wall = 0.679722666 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00666049572 Right electrode charge = -0.00666049572 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00216 Bulk concentration of Na = 1.00375 ________________________________________________________________________ Average electrode charge 1 = 0.00890365985 Average electrode charge 2 = -0.00890365985 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.405964 -0.570268 -0.576169 ________________________________________________________________________ Electrode charge exchange: 0.0637776939 Move Jump Cl: 0.93245 0.36920 Na: 0.93605 0.36772 ________________________________________________________________________ Create NaCl : 10963. / 30214. = 0.36285 Destroy NaCl : 10977. / 29879. = 0.36738 ________________________________________________________________________ Potential at left wall /kT = 1.53524197 Potential at right wall /kT = -1.48213454 ------------------------------------------------------------------------ Potential at left wall /mV = 39.6872934 Potential at right wall /mV = -38.3144216 ________________________________________________________________________ Capacitance of left DL = 0.0302078886 Capacitance of right DL = 0.0312902893 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 25.1969816 Capacitance of right DL [F/m2] = 26.0998328 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.93726132 Adsorption of ion 1 on right wall = -4.07163035 Adsorption of ion 2 on left wall = -6.36656009 Adsorption of ion 2 on right wall = 8.76443158 ------------------------------------------------------------------------ net charge in left DL = -13.3038214 9.99244137 net charge in right DL = 12.8360619 -9.99244137 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.69425089 Relative adsorption of ion 1 on right wall = -0.407471027 Relative adsorption of ion 2 on left wall = -0.637137597 Relative adsorption of ion 2 on right wall = 0.87710613 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00979303863 Right electrode charge = -0.00979303863 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99969 Bulk concentration of Na = 1.00469 ________________________________________________________________________ Average electrode charge 1 = 0.00864669053 Average electrode charge 2 = -0.00864669053 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.404437 -0.570268 -0.574641 ________________________________________________________________________ Electrode charge exchange: 0.0637161863 Move Jump Cl: 0.93322 0.36980 Na: 0.93532 0.37002 ________________________________________________________________________ Create NaCl : 16438. / 45149. = 0.36408 Destroy NaCl : 16445. / 45017. = 0.36531 ________________________________________________________________________ Potential at left wall /kT = 1.47246474 Potential at right wall /kT = -1.44616902 ------------------------------------------------------------------------ Potential at left wall /mV = 38.0644491 Potential at right wall /mV = -37.3846827 ________________________________________________________________________ Capacitance of left DL = 0.046308767 Capacitance of right DL = 0.0471508002 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 26.2712327 Capacitance of right DL [F/m2] = 26.748923 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.98303415 Adsorption of ion 1 on right wall = -4.44944362 Adsorption of ion 2 on left wall = -6.58338447 Adsorption of ion 2 on right wall = 7.65354886 ------------------------------------------------------------------------ net charge in left DL = -13.5664186 14.6920542 net charge in right DL = 12.1029925 -14.6920542 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.475293246 Relative adsorption of ion 1 on right wall = -0.302846937 Relative adsorption of ion 2 on left wall = -0.44809149 Relative adsorption of ion 2 on right wall = 0.52093116 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00861243752 Right electrode charge = -0.00861243752 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00137 Bulk concentration of Na = 1.00494 ________________________________________________________________________ Average electrode charge 1 = 0.0086098728 Average electrode charge 2 = -0.0086098728 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.406365 -0.570268 -0.576569 ________________________________________________________________________ Electrode charge exchange: 0.0637071602 Move Jump Cl: 0.93341 0.36856 Na: 0.93494 0.37023 ________________________________________________________________________ Create NaCl : 21881. / 60273. = 0.36303 Destroy NaCl : 21874. / 60036. = 0.36435 ________________________________________________________________________ Potential at left wall /kT = 1.38397532 Potential at right wall /kT = -1.33673811 ------------------------------------------------------------------------ Potential at left wall /mV = 35.7769236 Potential at right wall /mV = -34.5558018 ________________________________________________________________________ Capacitance of left DL = 0.0433299701 Capacitance of right DL = 0.0448611506 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 27.9509779 Capacitance of right DL [F/m2] = 28.9387005 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.92973053 Adsorption of ion 1 on right wall = -5.08693614 Adsorption of ion 2 on left wall = -6.39245105 Adsorption of ion 2 on right wall = 7.19098229 ------------------------------------------------------------------------ net charge in left DL = -13.3221816 12.9208516 net charge in right DL = 12.2779184 -12.9208516 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5363215 Relative adsorption of ion 1 on right wall = -0.393699757 Relative adsorption of ion 2 on left wall = -0.494739142 Relative adsorption of ion 2 on right wall = 0.556540892 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00727625001 Right electrode charge = -0.00727625001 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00469 Bulk concentration of Na = 1.00653 ________________________________________________________________________ Average electrode charge 1 = 0.00838181483 Average electrode charge 2 = -0.00838181483 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.411249 -0.570268 -0.581454 ________________________________________________________________________ Electrode charge exchange: 0.0637639399 Move Jump Cl: 0.93233 0.37047 Na: 0.93384 0.37076 ________________________________________________________________________ Create NaCl : 27423. / 75186. = 0.36474 Destroy NaCl : 27420. / 75124. = 0.36500 ________________________________________________________________________ Potential at left wall /kT = 1.4614585 Potential at right wall /kT = -1.46817691 ------------------------------------------------------------------------ Potential at left wall /mV = 37.7799286 Potential at right wall /mV = -37.9536052 ________________________________________________________________________ Capacitance of left DL = 0.0346666422 Capacitance of right DL = 0.0345080069 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 26.4690812 Capacitance of right DL [F/m2] = 26.3479581 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.86227669 Adsorption of ion 1 on right wall = -5.90803331 Adsorption of ion 2 on left wall = -6.00181078 Adsorption of ion 2 on right wall = 6.41727255 ------------------------------------------------------------------------ net charge in left DL = -12.8640875 10.9162298 net charge in right DL = 12.3253059 -10.9162298 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.628630657 Relative adsorption of ion 1 on right wall = -0.541215552 Relative adsorption of ion 2 on left wall = -0.549806198 Relative adsorption of ion 2 on right wall = 0.587865288 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00409623642 Right electrode charge = -0.00409623642 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00360 Bulk concentration of Na = 1.00548 ________________________________________________________________________ Average electrode charge 1 = 0.00821334397 Average electrode charge 2 = -0.00821334397 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.409120 -0.570268 -0.579325 ________________________________________________________________________ Electrode charge exchange: 0.0637548957 Move Jump Cl: 0.93348 0.37059 Na: 0.93414 0.37118 ________________________________________________________________________ Create NaCl : 32836. / 90137. = 0.36429 Destroy NaCl : 32841. / 90058. = 0.36466 ________________________________________________________________________ Potential at left wall /kT = 1.34199963 Potential at right wall /kT = -1.32865402 ------------------------------------------------------------------------ Potential at left wall /mV = 34.6918166 Potential at right wall /mV = -34.3468214 ________________________________________________________________________ Capacitance of left DL = 0.0212531483 Capacitance of right DL = 0.0214666246 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 28.8252418 Capacitance of right DL [F/m2] = 29.1147757 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.78160363 Adsorption of ion 1 on right wall = -5.8889797 Adsorption of ion 2 on left wall = -5.78388607 Adsorption of ion 2 on right wall = 6.12744726 ------------------------------------------------------------------------ net charge in left DL = -12.5654897 6.14539877 net charge in right DL = 12.016427 -6.14539877 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.1035254 Relative adsorption of ion 1 on right wall = -0.958274625 Relative adsorption of ion 2 on left wall = -0.941173435 Relative adsorption of ion 2 on right wall = 0.997078869 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00797618248 Right electrode charge = -0.00797618248 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 315 -1.00 3.0000 1.5000 Na ion: 315 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00276 Bulk concentration of Na = 1.00409 ________________________________________________________________________ Average electrode charge 1 = 0.00821339174 Average electrode charge 2 = -0.00821339174 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.406908 -0.570268 -0.577113 ________________________________________________________________________ Electrode charge exchange: 0.0637215805 Move Jump Cl: 0.93317 0.37064 Na: 0.93413 0.37161 ________________________________________________________________________ Create NaCl : 38349. / 105173. = 0.36463 Destroy NaCl : 38334. / 104779. = 0.36586 ________________________________________________________________________ Potential at left wall /kT = 1.46277536 Potential at right wall /kT = -1.44808885 ------------------------------------------------------------------------ Potential at left wall /mV = 37.8139705 Potential at right wall /mV = -37.4343121 ________________________________________________________________________ Capacitance of left DL = 0.0379671588 Capacitance of right DL = 0.0383522214 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 26.4452525 Capacitance of right DL [F/m2] = 26.7134601 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.31788653 Adsorption of ion 1 on right wall = -5.81293966 Adsorption of ion 2 on left wall = -5.28030483 Adsorption of ion 2 on right wall = 6.39516898 ------------------------------------------------------------------------ net charge in left DL = -12.5981914 11.9663069 net charge in right DL = 12.2081086 -11.9663069 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.611540937 Relative adsorption of ion 1 on right wall = -0.485775579 Relative adsorption of ion 2 on left wall = -0.441264367 Relative adsorption of ion 2 on right wall = 0.534431303 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00819965832 Right electrode charge = -0.00819965832 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00688 Bulk concentration of Na = 1.00836 ________________________________________________________________________ Average electrode charge 1 = 0.00825866756 Average electrode charge 2 = -0.00825866756 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.415247 -0.570268 -0.585452 ________________________________________________________________________ Electrode charge exchange: 0.0637466172 Move Jump Cl: 0.93324 0.36973 Na: 0.93366 0.37060 ________________________________________________________________________ Create NaCl : 43779. / 120152. = 0.36436 Destroy NaCl : 43800. / 119726. = 0.36584 ________________________________________________________________________ Potential at left wall /kT = 1.50841492 Potential at right wall /kT = -1.47572056 ------------------------------------------------------------------------ Potential at left wall /mV = 38.9937916 Potential at right wall /mV = -38.1486148 ________________________________________________________________________ Capacitance of left DL = 0.0378499742 Capacitance of right DL = 0.0386885347 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 25.6451081 Capacitance of right DL [F/m2] = 26.2132716 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.14743014 Adsorption of ion 1 on right wall = -6.39819694 Adsorption of ion 2 on left wall = -5.58385299 Adsorption of ion 2 on right wall = 5.90109076 ------------------------------------------------------------------------ net charge in left DL = -12.7312831 12.3015776 net charge in right DL = 12.2992877 -12.3015776 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581017359 Relative adsorption of ion 1 on right wall = -0.520111903 Relative adsorption of ion 2 on left wall = -0.453913569 Relative adsorption of ion 2 on right wall = 0.47970195 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00733813242 Right electrode charge = -0.00733813242 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00509 Bulk concentration of Na = 1.00659 ________________________________________________________________________ Average electrode charge 1 = 0.0082421724 Average electrode charge 2 = -0.0082421724 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.411711 -0.570268 -0.581916 ________________________________________________________________________ Electrode charge exchange: 0.0637214382 Move Jump Cl: 0.93315 0.37080 Na: 0.93396 0.37022 ________________________________________________________________________ Create NaCl : 49241. / 135222. = 0.36415 Destroy NaCl : 49240. / 134724. = 0.36549 ________________________________________________________________________ Potential at left wall /kT = 1.47491853 Potential at right wall /kT = -1.42820633 ------------------------------------------------------------------------ Potential at left wall /mV = 38.1278818 Potential at right wall /mV = -36.9203322 ________________________________________________________________________ Capacitance of left DL = 0.0346424154 Capacitance of right DL = 0.0357754614 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 26.2275257 Capacitance of right DL [F/m2] = 27.0853468 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.28770976 Adsorption of ion 1 on right wall = -6.26789024 Adsorption of ion 2 on left wall = -5.40524393 Adsorption of ion 2 on right wall = 5.98694126 ------------------------------------------------------------------------ net charge in left DL = -12.6929537 11.0090692 net charge in right DL = 12.2548315 -11.0090692 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.661973292 Relative adsorption of ion 1 on right wall = -0.569338802 Relative adsorption of ion 2 on left wall = -0.490981013 Relative adsorption of ion 2 on right wall = 0.543819025 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00685051476 Right electrode charge = -0.00685051476 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00597 Bulk concentration of Na = 1.00674 ________________________________________________________________________ Average electrode charge 1 = 0.00826107981 Average electrode charge 2 = -0.00826107981 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.412734 -0.570268 -0.582938 ________________________________________________________________________ Electrode charge exchange: 0.0637149128 Move Jump Cl: 0.93266 0.37008 Na: 0.93410 0.37070 ________________________________________________________________________ Create NaCl : 54806. / 150153. = 0.36500 Destroy NaCl : 54806. / 149838. = 0.36577 ________________________________________________________________________ Potential at left wall /kT = 1.35581601 Potential at right wall /kT = -1.30162368 ------------------------------------------------------------------------ Potential at left wall /mV = 35.0489815 Potential at right wall /mV = -33.6480646 ________________________________________________________________________ Capacitance of left DL = 0.0351813988 Capacitance of right DL = 0.0366461552 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 28.5314995 Capacitance of right DL [F/m2] = 29.7193914 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.98590091 Adsorption of ion 1 on right wall = -6.16906242 Adsorption of ion 2 on left wall = -5.55361507 Adsorption of ion 2 on right wall = 6.1430116 ------------------------------------------------------------------------ net charge in left DL = -12.539516 10.2775184 net charge in right DL = 12.312074 -10.2775184 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.679726434 Relative adsorption of ion 1 on right wall = -0.600248251 Relative adsorption of ion 2 on left wall = -0.540365375 Relative adsorption of ion 2 on right wall = 0.597713512 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00688097366 Right electrode charge = -0.00688097366 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00383 Bulk concentration of Na = 1.00425 ________________________________________________________________________ Average electrode charge 1 = 0.00820086853 Average electrode charge 2 = -0.00820086853 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.408133 -0.570268 -0.578337 ________________________________________________________________________ Electrode charge exchange: 0.0637792886 Move Jump Cl: 0.93239 0.36971 Na: 0.93389 0.37035 ________________________________________________________________________ Create NaCl : 60281. / 165059. = 0.36521 Destroy NaCl : 60277. / 164886. = 0.36557 ________________________________________________________________________ Potential at left wall /kT = 1.36642393 Potential at right wall /kT = -1.32291012 ------------------------------------------------------------------------ Potential at left wall /mV = 35.3232054 Potential at right wall /mV = -34.1983369 ________________________________________________________________________ Capacitance of left DL = 0.0350634857 Capacitance of right DL = 0.0362168111 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 28.3100016 Capacitance of right DL [F/m2] = 29.2411881 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.99575183 Adsorption of ion 1 on right wall = -5.7124315 Adsorption of ion 2 on left wall = -5.42447579 Adsorption of ion 2 on right wall = 6.58573178 ------------------------------------------------------------------------ net charge in left DL = -12.4202276 10.3232145 net charge in right DL = 12.2981633 -10.3232145 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.677671848 Relative adsorption of ion 1 on right wall = -0.553357824 Relative adsorption of ion 2 on left wall = -0.525463828 Relative adsorption of ion 2 on right wall = 0.637953594 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00712297221 Right electrode charge = -0.00712297221 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00557 Bulk concentration of Na = 1.00607 ________________________________________________________________________ Average electrode charge 1 = 0.00818217235 Average electrode charge 2 = -0.00818217235 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.411671 -0.570268 -0.581876 ________________________________________________________________________ Electrode charge exchange: 0.063774795 Move Jump Cl: 0.93220 0.36963 Na: 0.93351 0.36934 ________________________________________________________________________ Create NaCl : 65792. / 180245. = 0.36501 Destroy NaCl : 65785. / 179836. = 0.36581 ________________________________________________________________________ Potential at left wall /kT = 1.31543934 Potential at right wall /kT = -1.27052668 ------------------------------------------------------------------------ Potential at left wall /mV = 34.0052109 Potential at right wall /mV = -32.8441808 ________________________________________________________________________ Capacitance of left DL = 0.0377034487 Capacitance of right DL = 0.0390362522 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.4072577 Capacitance of right DL [F/m2] = 30.4467938 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.93330517 Adsorption of ion 1 on right wall = -5.91077539 Adsorption of ion 2 on left wall = -5.44414156 Adsorption of ion 2 on right wall = 6.32002232 ------------------------------------------------------------------------ net charge in left DL = -12.3774467 10.686274 net charge in right DL = 12.2307977 -10.686274 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.648804736 Relative adsorption of ion 1 on right wall = -0.553118458 Relative adsorption of ion 2 on left wall = -0.509451804 Relative adsorption of ion 2 on right wall = 0.591414962 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00702797854 Right electrode charge = -0.00702797854 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00538 Bulk concentration of Na = 1.00625 ________________________________________________________________________ Average electrode charge 1 = 0.00812313333 Average electrode charge 2 = -0.00812313333 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.411658 -0.570268 -0.581863 ________________________________________________________________________ Electrode charge exchange: 0.0637796177 Move Jump Cl: 0.93206 0.36928 Na: 0.93394 0.36903 ________________________________________________________________________ Create NaCl : 71285. / 195243. = 0.36511 Destroy NaCl : 71306. / 194885. = 0.36589 ________________________________________________________________________ Potential at left wall /kT = 1.25453187 Potential at right wall /kT = -1.21385891 ------------------------------------------------------------------------ Potential at left wall /mV = 32.4307016 Potential at right wall /mV = -31.3792714 ________________________________________________________________________ Capacitance of left DL = 0.0390067154 Capacitance of right DL = 0.0403137196 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.8349789 Capacitance of right DL [F/m2] = 31.8681715 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.84755205 Adsorption of ion 1 on right wall = -5.77922103 Adsorption of ion 2 on left wall = -5.4649849 Adsorption of ion 2 on right wall = 6.27838304 ------------------------------------------------------------------------ net charge in left DL = -12.312537 10.5437593 net charge in right DL = 12.0576041 -10.5437593 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.649441235 Relative adsorption of ion 1 on right wall = -0.548117695 Relative adsorption of ion 2 on left wall = -0.518314651 Relative adsorption of ion 2 on right wall = 0.595459635 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0115328609 Right electrode charge = -0.0115328609 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00448 Bulk concentration of Na = 1.00525 ________________________________________________________________________ Average electrode charge 1 = 0.00808084553 Average electrode charge 2 = -0.00808084553 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.409762 -0.570268 -0.579967 ________________________________________________________________________ Electrode charge exchange: 0.0638095609 Move Jump Cl: 0.93226 0.36916 Na: 0.93415 0.36938 ________________________________________________________________________ Create NaCl : 76840. / 210180. = 0.36559 Destroy NaCl : 76858. / 209990. = 0.36601 ________________________________________________________________________ Potential at left wall /kT = 1.27651958 Potential at right wall /kT = -1.23329461 ------------------------------------------------------------------------ Potential at left wall /mV = 32.9991023 Potential at right wall /mV = -31.8817006 ________________________________________________________________________ Capacitance of left DL = 0.0629071812 Capacitance of right DL = 0.0651119755 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.3038546 Capacitance of right DL [F/m2] = 31.3659554 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51674305 Adsorption of ion 1 on right wall = -5.71761409 Adsorption of ion 2 on left wall = -5.74031755 Adsorption of ion 2 on right wall = 6.3146253 ------------------------------------------------------------------------ net charge in left DL = -12.2570606 17.3022311 net charge in right DL = 12.0322394 -17.3022311 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.376641777 Relative adsorption of ion 1 on right wall = -0.330455308 Relative adsorption of ion 2 on left wall = -0.331767477 Relative adsorption of ion 2 on right wall = 0.364960177 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.008739499 Right electrode charge = -0.008739499 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00492 Bulk concentration of Na = 1.00535 ________________________________________________________________________ Average electrode charge 1 = 0.00805377429 Average electrode charge 2 = -0.00805377429 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.410302 -0.570268 -0.580507 ________________________________________________________________________ Electrode charge exchange: 0.0637968422 Move Jump Cl: 0.93240 0.36961 Na: 0.93411 0.36964 ________________________________________________________________________ Create NaCl : 82395. / 225383. = 0.36558 Destroy NaCl : 82395. / 224951. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.24652571 Potential at right wall /kT = -1.2083297 ------------------------------------------------------------------------ Potential at left wall /mV = 32.2237357 Potential at right wall /mV = -31.2363368 ________________________________________________________________________ Capacitance of left DL = 0.0488175466 Capacitance of right DL = 0.0503606978 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 31.0330252 Capacitance of right DL [F/m2] = 32.0139972 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50832099 Adsorption of ion 1 on right wall = -5.76182012 Adsorption of ion 2 on left wall = -5.64913514 Adsorption of ion 2 on right wall = 6.2694793 ------------------------------------------------------------------------ net charge in left DL = -12.1574561 13.1114762 net charge in right DL = 12.0312994 -13.1114762 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.49638354 Relative adsorption of ion 1 on right wall = -0.439448618 Relative adsorption of ion 2 on left wall = -0.430854241 Relative adsorption of ion 2 on right wall = 0.478167308 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00911470503 Right electrode charge = -0.00911470503 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00517 Bulk concentration of Na = 1.00555 ________________________________________________________________________ Average electrode charge 1 = 0.00808298857 Average electrode charge 2 = -0.00808298857 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.410757 -0.570268 -0.580962 ________________________________________________________________________ Electrode charge exchange: 0.0637790975 Move Jump Cl: 0.93267 0.36957 Na: 0.93372 0.36947 ________________________________________________________________________ Create NaCl : 88022. / 240429. = 0.36610 Destroy NaCl : 88023. / 240125. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.2635248 Potential at right wall /kT = -1.23043221 ------------------------------------------------------------------------ Potential at left wall /mV = 32.6631765 Potential at right wall /mV = -31.8077052 ________________________________________________________________________ Capacitance of left DL = 0.050228418 Capacitance of right DL = 0.0515793161 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.6155159 Capacitance of right DL [F/m2] = 31.4389232 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.6431759 Adsorption of ion 1 on right wall = -6.07136264 Adsorption of ion 2 on left wall = -5.56734735 Adsorption of ion 2 on right wall = 6.02675786 ------------------------------------------------------------------------ net charge in left DL = -12.2105233 13.6743809 net charge in right DL = 12.0981205 -13.6743809 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.485811822 Relative adsorption of ion 1 on right wall = -0.44399543 Relative adsorption of ion 2 on left wall = -0.407137068 Relative adsorption of ion 2 on right wall = 0.440733507 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0080897182 Right electrode charge = -0.0080897182 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00468 Bulk concentration of Na = 1.00536 ________________________________________________________________________ Average electrode charge 1 = 0.00809091868 Average electrode charge 2 = -0.00809091868 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.410087 -0.570268 -0.580291 ________________________________________________________________________ Electrode charge exchange: 0.0638538464 Move Jump Cl: 0.93242 0.36947 Na: 0.93358 0.36910 ________________________________________________________________________ Create NaCl : 93500. / 255407. = 0.36608 Destroy NaCl : 93499. / 255226. = 0.36634 ________________________________________________________________________ Potential at left wall /kT = 1.23713193 Potential at right wall /kT = -1.2105949 ------------------------------------------------------------------------ Potential at left wall /mV = 31.9808987 Potential at right wall /mV = -31.2948942 ________________________________________________________________________ Capacitance of left DL = 0.045531088 Capacitance of right DL = 0.0465291592 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 31.2686648 Capacitance of right DL [F/m2] = 31.9540943 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.85324644 Adsorption of ion 1 on right wall = -5.92643003 Adsorption of ion 2 on left wall = -5.39964374 Adsorption of ion 2 on right wall = 6.12735037 ------------------------------------------------------------------------ net charge in left DL = -12.2528902 12.1366394 net charge in right DL = 12.0537804 -12.1366394 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.564674142 Relative adsorption of ion 1 on right wall = -0.488308982 Relative adsorption of ion 2 on left wall = -0.444904357 Relative adsorption of ion 2 on right wall = 0.50486384 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00929494331 Right electrode charge = -0.00929494331 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00437 Bulk concentration of Na = 1.00505 ________________________________________________________________________ Average electrode charge 1 = 0.00811387432 Average electrode charge 2 = -0.00811387432 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.409468 -0.570268 -0.579672 ________________________________________________________________________ Electrode charge exchange: 0.0638569279 Move Jump Cl: 0.93279 0.36928 Na: 0.93356 0.36883 ________________________________________________________________________ Create NaCl : 98981. / 270335. = 0.36614 Destroy NaCl : 98985. / 270265. = 0.36625 ________________________________________________________________________ Potential at left wall /kT = 1.2832504 Potential at right wall /kT = -1.25764117 ------------------------------------------------------------------------ Potential at left wall /mV = 33.1730996 Potential at right wall /mV = -32.5110798 ________________________________________________________________________ Capacitance of left DL = 0.0504342993 Capacitance of right DL = 0.0514612879 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.1449069 Capacitance of right DL [F/m2] = 30.7587446 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.8540316 Adsorption of ion 1 on right wall = -5.91257581 Adsorption of ion 2 on left wall = -5.46794127 Adsorption of ion 2 on right wall = 6.21063466 ------------------------------------------------------------------------ net charge in left DL = -12.3219729 13.9447843 net charge in right DL = 12.1232105 -13.9447843 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.491512199 Relative adsorption of ion 1 on right wall = -0.423999087 Relative adsorption of ion 2 on left wall = -0.392113722 Relative adsorption of ion 2 on right wall = 0.445373304 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103844595 Right electrode charge = -0.0103844595 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00363 Bulk concentration of Na = 1.00440 ________________________________________________________________________ Average electrode charge 1 = 0.00810790632 Average electrode charge 2 = -0.00810790632 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.408074 -0.570268 -0.578279 ________________________________________________________________________ Electrode charge exchange: 0.0638366546 Move Jump Cl: 0.93288 0.36902 Na: 0.93367 0.36872 ________________________________________________________________________ Create NaCl : 104518. / 285320. = 0.36632 Destroy NaCl : 104516. / 285199. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.26674526 Potential at right wall /kT = -1.2438463 ------------------------------------------------------------------------ Potential at left wall /mV = 32.746428 Potential at right wall /mV = -32.1544706 ________________________________________________________________________ Capacitance of left DL = 0.0570801706 Capacitance of right DL = 0.0581310051 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.5376818 Capacitance of right DL [F/m2] = 31.0998745 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.87920394 Adsorption of ion 1 on right wall = -5.8900215 Adsorption of ion 2 on left wall = -5.43816579 Adsorption of ion 2 on right wall = 6.20009825 ------------------------------------------------------------------------ net charge in left DL = -12.3173697 15.5793363 net charge in right DL = 12.0901197 -15.5793363 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.4415595 Relative adsorption of ion 1 on right wall = -0.378066266 Relative adsorption of ion 2 on left wall = -0.349062738 Relative adsorption of ion 2 on right wall = 0.397969344 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00821359965 Right electrode charge = -0.00821359965 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00386 Bulk concentration of Na = 1.00439 ________________________________________________________________________ Average electrode charge 1 = 0.00809938791 Average electrode charge 2 = -0.00809938791 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.408296 -0.570268 -0.578501 ________________________________________________________________________ Electrode charge exchange: 0.0638144572 Move Jump Cl: 0.93284 0.36889 Na: 0.93372 0.36871 ________________________________________________________________________ Create NaCl : 110027. / 300295. = 0.36640 Destroy NaCl : 110038. / 300417. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.2705912 Potential at right wall /kT = -1.24585236 ------------------------------------------------------------------------ Potential at left wall /mV = 32.8458489 Potential at right wall /mV = -32.2063291 ________________________________________________________________________ Capacitance of left DL = 0.0450109665 Capacitance of right DL = 0.0459047475 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.4452475 Capacitance of right DL [F/m2] = 31.0497976 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.81233357 Adsorption of ion 1 on right wall = -5.94945476 Adsorption of ion 2 on left wall = -5.46301189 Adsorption of ion 2 on right wall = 6.17033477 ------------------------------------------------------------------------ net charge in left DL = -12.2753455 12.3224932 net charge in right DL = 12.1197895 -12.3224932 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.552837278 Relative adsorption of ion 1 on right wall = -0.482812584 Relative adsorption of ion 2 on left wall = -0.443336574 Relative adsorption of ion 2 on right wall = 0.500737529 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00783769979 Right electrode charge = -0.00783769979 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00397 Bulk concentration of Na = 1.00488 ________________________________________________________________________ Average electrode charge 1 = 0.00810378021 Average electrode charge 2 = -0.00810378021 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.408899 -0.570268 -0.579103 ________________________________________________________________________ Electrode charge exchange: 0.0638095238 Move Jump Cl: 0.93313 0.36894 Na: 0.93372 0.36837 ________________________________________________________________________ Create NaCl : 115617. / 315527. = 0.36643 Destroy NaCl : 115612. / 315383. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.26144249 Potential at right wall /kT = -1.23862267 ------------------------------------------------------------------------ Potential at left wall /mV = 32.6093471 Potential at right wall /mV = -32.0194356 ________________________________________________________________________ Capacitance of left DL = 0.0432625207 Capacitance of right DL = 0.0440595697 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.6660541 Capacitance of right DL [F/m2] = 31.2310315 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.79517164 Adsorption of ion 1 on right wall = -5.92825773 Adsorption of ion 2 on left wall = -5.53888482 Adsorption of ion 2 on right wall = 6.14017946 ------------------------------------------------------------------------ net charge in left DL = -12.3340565 11.7585475 net charge in right DL = 12.0684372 -11.7585475 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.577892091 Relative adsorption of ion 1 on right wall = -0.504165817 Relative adsorption of ion 2 on left wall = -0.471051786 Relative adsorption of ion 2 on right wall = 0.522188598 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00646737041 Right electrode charge = -0.00646737041 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00318 Bulk concentration of Na = 1.00418 ________________________________________________________________________ Average electrode charge 1 = 0.00811471829 Average electrode charge 2 = -0.00811471829 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.407412 -0.570268 -0.577617 ________________________________________________________________________ Electrode charge exchange: 0.0638137158 Move Jump Cl: 0.93331 0.36883 Na: 0.93349 0.36854 ________________________________________________________________________ Create NaCl : 121066. / 330513. = 0.36630 Destroy NaCl : 121086. / 330375. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.25396337 Potential at right wall /kT = -1.22587435 ------------------------------------------------------------------------ Potential at left wall /mV = 32.4160055 Potential at right wall /mV = -31.6898808 ________________________________________________________________________ Capacitance of left DL = 0.0359114993 Capacitance of right DL = 0.0367343559 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.8489582 Capacitance of right DL [F/m2] = 31.5558145 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.78696367 Adsorption of ion 1 on right wall = -5.75973254 Adsorption of ion 2 on left wall = -5.57236094 Adsorption of ion 2 on right wall = 6.30549437 ------------------------------------------------------------------------ net charge in left DL = -12.3593246 9.70270418 net charge in right DL = 12.0652269 -9.70270418 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.699491971 Relative adsorption of ion 1 on right wall = -0.593621369 Relative adsorption of ion 2 on left wall = -0.574310093 Relative adsorption of ion 2 on right wall = 0.649869794 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00803197689 Right electrode charge = -0.00803197689 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00272 Bulk concentration of Na = 1.00402 ________________________________________________________________________ Average electrode charge 1 = 0.00807694896 Average electrode charge 2 = -0.00807694896 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.406792 -0.570268 -0.576997 ________________________________________________________________________ Electrode charge exchange: 0.0637772328 Move Jump Cl: 0.93339 0.36881 Na: 0.93322 0.36851 ________________________________________________________________________ Create NaCl : 126551. / 345561. = 0.36622 Destroy NaCl : 126575. / 345429. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.23675651 Potential at right wall /kT = -1.20675234 ------------------------------------------------------------------------ Potential at left wall /mV = 31.9711938 Potential at right wall /mV = -31.1955606 ________________________________________________________________________ Capacitance of left DL = 0.045219827 Capacitance of right DL = 0.0463441536 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 31.2781564 Capacitance of right DL [F/m2] = 32.0558433 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.82531211 Adsorption of ion 1 on right wall = -5.76818862 Adsorption of ion 2 on left wall = -5.51160585 Adsorption of ion 2 on right wall = 6.18934415 ------------------------------------------------------------------------ net charge in left DL = -12.336918 12.0500127 net charge in right DL = 11.9575328 -12.0500127 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566415345 Relative adsorption of ion 1 on right wall = -0.478687347 Relative adsorption of ion 2 on left wall = -0.457394194 Relative adsorption of ion 2 on right wall = 0.513637977 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00484576699 Right electrode charge = -0.00484576699 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00273 Bulk concentration of Na = 1.00413 ________________________________________________________________________ Average electrode charge 1 = 0.00809401584 Average electrode charge 2 = -0.00809401584 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.406903 -0.570268 -0.577107 ________________________________________________________________________ Electrode charge exchange: 0.0637475441 Move Jump Cl: 0.93341 0.36854 Na: 0.93327 0.36857 ________________________________________________________________________ Create NaCl : 132031. / 360626. = 0.36612 Destroy NaCl : 132032. / 360421. = 0.36633 ________________________________________________________________________ Potential at left wall /kT = 1.24187883 Potential at right wall /kT = -1.21458615 ------------------------------------------------------------------------ Potential at left wall /mV = 32.1036101 Potential at right wall /mV = -31.3980714 ________________________________________________________________________ Capacitance of left DL = 0.0271690188 Capacitance of right DL = 0.0277795275 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 31.1491449 Capacitance of right DL [F/m2] = 31.84909 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.75240387 Adsorption of ion 1 on right wall = -5.6714871 Adsorption of ion 2 on left wall = -5.62957474 Adsorption of ion 2 on right wall = 6.30019123 ------------------------------------------------------------------------ net charge in left DL = -12.3819786 7.26988569 net charge in right DL = 11.9716783 -7.26988569 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.928818438 Relative adsorption of ion 1 on right wall = -0.780134288 Relative adsorption of ion 2 on left wall = -0.774369086 Relative adsorption of ion 2 on right wall = 0.866614896 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00861897736 Right electrode charge = -0.00861897736 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00281 Bulk concentration of Na = 1.00406 ________________________________________________________________________ Average electrode charge 1 = 0.00808126449 Average electrode charge 2 = -0.00808126449 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.406920 -0.570268 -0.577124 ________________________________________________________________________ Electrode charge exchange: 0.0637996092 Move Jump Cl: 0.93339 0.36858 Na: 0.93335 0.36843 ________________________________________________________________________ Create NaCl : 137511. / 375745. = 0.36597 Destroy NaCl : 137503. / 375399. = 0.36628 ________________________________________________________________________ Potential at left wall /kT = 1.26690839 Potential at right wall /kT = -1.23562253 ------------------------------------------------------------------------ Potential at left wall /mV = 32.750645 Potential at right wall /mV = -31.9418793 ________________________________________________________________________ Capacitance of left DL = 0.0473697596 Capacitance of right DL = 0.048569158 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.5337497 Capacitance of right DL [F/m2] = 31.3068618 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.70476435 Adsorption of ion 1 on right wall = -5.65190298 Adsorption of ion 2 on left wall = -5.65333105 Adsorption of ion 2 on right wall = 6.34057895 ------------------------------------------------------------------------ net charge in left DL = -12.3580954 12.9306631 net charge in right DL = 11.9924819 -12.9306631 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.518516671 Relative adsorption of ion 1 on right wall = -0.437093052 Relative adsorption of ion 2 on left wall = -0.437203493 Relative adsorption of ion 2 on right wall = 0.490352191 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00773357009 Right electrode charge = -0.00773357009 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00274 Bulk concentration of Na = 1.00383 ________________________________________________________________________ Average electrode charge 1 = 0.00807021212 Average electrode charge 2 = -0.00807021212 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.406620 -0.570268 -0.576825 ________________________________________________________________________ Electrode charge exchange: 0.0638292529 Move Jump Cl: 0.93365 0.36878 Na: 0.93346 0.36825 ________________________________________________________________________ Create NaCl : 143032. / 390778. = 0.36602 Destroy NaCl : 143025. / 390427. = 0.36633 ________________________________________________________________________ Potential at left wall /kT = 1.28107264 Potential at right wall /kT = -1.25543138 ------------------------------------------------------------------------ Potential at left wall /mV = 33.1168028 Potential at right wall /mV = -32.4539547 ________________________________________________________________________ Capacitance of left DL = 0.0420336325 Capacitance of right DL = 0.0428921384 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.1961517 Capacitance of right DL [F/m2] = 30.8128858 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.72242022 Adsorption of ion 1 on right wall = -5.59261311 Adsorption of ion 2 on left wall = -5.60990901 Adsorption of ion 2 on right wall = 6.42136791 ------------------------------------------------------------------------ net charge in left DL = -12.3323292 11.6023265 net charge in right DL = 12.013981 -11.6023265 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.579402782 Relative adsorption of ion 1 on right wall = -0.482025147 Relative adsorption of ion 2 on left wall = -0.483515874 Relative adsorption of ion 2 on right wall = 0.5534552 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00837360522 Right electrode charge = -0.00837360522 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00307 Bulk concentration of Na = 1.00388 ________________________________________________________________________ Average electrode charge 1 = 0.00809114793 Average electrode charge 2 = -0.00809114793 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.406996 -0.570268 -0.577200 ________________________________________________________________________ Electrode charge exchange: 0.0638644981 Move Jump Cl: 0.93378 0.36858 Na: 0.93352 0.36841 ________________________________________________________________________ Create NaCl : 148586. / 405848. = 0.36611 Destroy NaCl : 148598. / 405590. = 0.36637 ________________________________________________________________________ Potential at left wall /kT = 1.28164073 Potential at right wall /kT = -1.2556673 ------------------------------------------------------------------------ Potential at left wall /mV = 33.1314884 Potential at right wall /mV = -32.4600534 ________________________________________________________________________ Capacitance of left DL = 0.045492189 Capacitance of right DL = 0.0464331932 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.1827672 Capacitance of right DL [F/m2] = 30.8070966 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.66506534 Adsorption of ion 1 on right wall = -5.66026552 Adsorption of ion 2 on left wall = -5.65891261 Adsorption of ion 2 on right wall = 6.42588739 ------------------------------------------------------------------------ net charge in left DL = -12.323978 12.5625423 net charge in right DL = 12.0861529 -12.5625423 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.530550679 Relative adsorption of ion 1 on right wall = -0.450566883 Relative adsorption of ion 2 on left wall = -0.450459189 Relative adsorption of ion 2 on right wall = 0.511511701 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00757146164 Right electrode charge = -0.00757146164 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00194 Bulk concentration of Na = 1.00282 ________________________________________________________________________ Average electrode charge 1 = 0.00808575115 Average electrode charge 2 = -0.00808575115 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.404815 -0.570268 -0.575020 ________________________________________________________________________ Electrode charge exchange: 0.0638377197 Move Jump Cl: 0.93377 0.36846 Na: 0.93366 0.36827 ________________________________________________________________________ Create NaCl : 154100. / 420702. = 0.36629 Destroy NaCl : 154117. / 420587. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.26600899 Potential at right wall /kT = -1.24017301 ------------------------------------------------------------------------ Potential at left wall /mV = 32.7273949 Potential at right wall /mV = -32.0595131 ________________________________________________________________________ Capacitance of left DL = 0.0416421926 Capacitance of right DL = 0.0425097061 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 30.5554415 Capacitance of right DL [F/m2] = 31.1919896 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.69497062 Adsorption of ion 1 on right wall = -5.55456272 Adsorption of ion 2 on left wall = -5.61934432 Adsorption of ion 2 on right wall = 6.50218782 ------------------------------------------------------------------------ net charge in left DL = -12.3143149 11.3591225 net charge in right DL = 12.0567505 -11.3591225 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.589391534 Relative adsorption of ion 1 on right wall = -0.48899576 Relative adsorption of ion 2 on left wall = -0.494698806 Relative adsorption of ion 2 on right wall = 0.572419907 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.008533601 Right electrode charge = -0.008533601 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00160 Bulk concentration of Na = 1.00240 ________________________________________________________________________ Average electrode charge 1 = 0.00805963899 Average electrode charge 2 = -0.00805963899 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.404058 -0.570268 -0.574263 ________________________________________________________________________ Electrode charge exchange: 0.0638268318 Move Jump Cl: 0.93372 0.36842 Na: 0.93367 0.36824 ________________________________________________________________________ Create NaCl : 159546. / 435632. = 0.36624 Destroy NaCl : 159551. / 435507. = 0.36636 ________________________________________________________________________ Potential at left wall /kT = 1.30038865 Potential at right wall /kT = -1.2725218 ------------------------------------------------------------------------ Potential at left wall /mV = 33.6161378 Potential at right wall /mV = -32.8957564 ________________________________________________________________________ Capacitance of left DL = 0.0456930151 Capacitance of right DL = 0.0466936427 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.7476172 Capacitance of right DL [F/m2] = 30.3990578 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.69228315 Adsorption of ion 1 on right wall = -5.50365708 Adsorption of ion 2 on left wall = -5.59943351 Adsorption of ion 2 on right wall = 6.55278488 ------------------------------------------------------------------------ net charge in left DL = -12.2917167 12.8025768 net charge in right DL = 12.056442 -12.8025768 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.522729391 Relative adsorption of ion 1 on right wall = -0.42988667 Relative adsorption of ion 2 on left wall = -0.437367697 Relative adsorption of ion 2 on right wall = 0.511833282 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00712797369 Right electrode charge = -0.00712797369 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00143 Bulk concentration of Na = 1.00226 ________________________________________________________________________ Average electrode charge 1 = 0.00806072981 Average electrode charge 2 = -0.00806072981 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.403751 -0.570268 -0.573955 ________________________________________________________________________ Electrode charge exchange: 0.0638348083 Move Jump Cl: 0.93378 0.36827 Na: 0.93345 0.36827 ________________________________________________________________________ Create NaCl : 165125. / 450786. = 0.36630 Destroy NaCl : 165131. / 450442. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.29861364 Potential at right wall /kT = -1.27754189 ------------------------------------------------------------------------ Potential at left wall /mV = 33.5702524 Potential at right wall /mV = -33.0255301 ________________________________________________________________________ Capacitance of left DL = 0.0382187765 Capacitance of right DL = 0.0388491562 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.7882777 Capacitance of right DL [F/m2] = 30.2796048 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.72764054 Adsorption of ion 1 on right wall = -5.50456001 Adsorption of ion 2 on left wall = -5.57254722 Adsorption of ion 2 on right wall = 6.55017889 ------------------------------------------------------------------------ net charge in left DL = -12.3001878 10.6937775 net charge in right DL = 12.0547389 -10.6937775 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.629117312 Relative adsorption of ion 1 on right wall = -0.514744207 Relative adsorption of ion 2 on left wall = -0.521101849 Relative adsorption of ion 2 on right wall = 0.61252246 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0113763953 Right electrode charge = -0.0113763953 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00134 Bulk concentration of Na = 1.00206 ________________________________________________________________________ Average electrode charge 1 = 0.00804740097 Average electrode charge 2 = -0.00804740097 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.403458 -0.570268 -0.573662 ________________________________________________________________________ Electrode charge exchange: 0.0638486067 Move Jump Cl: 0.93374 0.36831 Na: 0.93352 0.36836 ________________________________________________________________________ Create NaCl : 170631. / 465703. = 0.36639 Destroy NaCl : 170646. / 465545. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.32289703 Potential at right wall /kT = -1.29887178 ------------------------------------------------------------------------ Potential at left wall /mV = 34.1979983 Potential at right wall /mV = -33.5769255 ________________________________________________________________________ Capacitance of left DL = 0.0598782759 Capacitance of right DL = 0.0609858451 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.2414775 Capacitance of right DL [F/m2] = 29.7823575 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.74435631 Adsorption of ion 1 on right wall = -5.51123777 Adsorption of ion 2 on left wall = -5.53768103 Adsorption of ion 2 on right wall = 6.56010231 ------------------------------------------------------------------------ net charge in left DL = -12.2820373 17.0674929 net charge in right DL = 12.0713401 -17.0674929 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.395157998 Relative adsorption of ion 1 on right wall = -0.322908456 Relative adsorption of ion 2 on left wall = -0.32445779 Relative adsorption of ion 2 on right wall = 0.384362387 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00840024501 Right electrode charge = -0.00840024501 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00124 Bulk concentration of Na = 1.00169 ________________________________________________________________________ Average electrode charge 1 = 0.00804078671 Average electrode charge 2 = -0.00804078671 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.402990 -0.570268 -0.573194 ________________________________________________________________________ Electrode charge exchange: 0.0638248245 Move Jump Cl: 0.93378 0.36840 Na: 0.93355 0.36849 ________________________________________________________________________ Create NaCl : 176195. / 480852. = 0.36642 Destroy NaCl : 176196. / 480517. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.33154992 Potential at right wall /kT = -1.31145876 ------------------------------------------------------------------------ Potential at left wall /mV = 34.4216829 Potential at right wall /mV = -33.9023096 ________________________________________________________________________ Capacitance of left DL = 0.0439263536 Capacitance of right DL = 0.0445992922 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.0514559 Capacitance of right DL [F/m2] = 29.4965155 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.72316122 Adsorption of ion 1 on right wall = -5.49634659 Adsorption of ion 2 on left wall = -5.51841494 Adsorption of ion 2 on right wall = 6.61237829 ------------------------------------------------------------------------ net charge in left DL = -12.2415762 12.6025088 net charge in right DL = 12.1087249 -12.6025088 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533478004 Relative adsorption of ion 1 on right wall = -0.436131146 Relative adsorption of ion 2 on left wall = -0.437882253 Relative adsorption of ion 2 on right wall = 0.524687458 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00833951112 Right electrode charge = -0.00833951112 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00140 Bulk concentration of Na = 1.00191 ________________________________________________________________________ Average electrode charge 1 = 0.00801327154 Average electrode charge 2 = -0.00801327154 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.403369 -0.570268 -0.573573 ________________________________________________________________________ Electrode charge exchange: 0.0638371494 Move Jump Cl: 0.93379 0.36849 Na: 0.93370 0.36862 ________________________________________________________________________ Create NaCl : 181709. / 495928. = 0.36640 Destroy NaCl : 181720. / 495343. = 0.36686 ________________________________________________________________________ Potential at left wall /kT = 1.3257989 Potential at right wall /kT = -1.30100119 ------------------------------------------------------------------------ Potential at left wall /mV = 34.2730141 Potential at right wall /mV = -33.6319725 ________________________________________________________________________ Capacitance of left DL = 0.0437979306 Capacitance of right DL = 0.0446327403 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.1774746 Capacitance of right DL [F/m2] = 29.7336114 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.67769049 Adsorption of ion 1 on right wall = -5.51653931 Adsorption of ion 2 on left wall = -5.52736091 Adsorption of ion 2 on right wall = 6.54060121 ------------------------------------------------------------------------ net charge in left DL = -12.2050514 12.5113925 net charge in right DL = 12.0571405 -12.5113925 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5337288 Relative adsorption of ion 1 on right wall = -0.44092129 Relative adsorption of ion 2 on left wall = -0.44178623 Relative adsorption of ion 2 on right wall = 0.522771645 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00797114937 Right electrode charge = -0.00797114937 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 319 -1.00 3.0000 1.5000 Na ion: 319 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00142 Bulk concentration of Na = 1.00177 ________________________________________________________________________ Average electrode charge 1 = 0.00801065242 Average electrode charge 2 = -0.00801065242 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.403250 -0.570268 -0.573455 ________________________________________________________________________ Electrode charge exchange: 0.0638598499 Move Jump Cl: 0.93381 0.36856 Na: 0.93372 0.36864 ________________________________________________________________________ Create NaCl : 187303. / 510944. = 0.36658 Destroy NaCl : 187284. / 510351. = 0.36697 ________________________________________________________________________ Potential at left wall /kT = 1.32388342 Potential at right wall /kT = -1.30291471 ------------------------------------------------------------------------ Potential at left wall /mV = 34.2234975 Potential at right wall /mV = -33.6814386 ________________________________________________________________________ Capacitance of left DL = 0.0419239172 Capacitance of right DL = 0.0425986282 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.2196903 Capacitance of right DL [F/m2] = 29.6899433 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.66364781 Adsorption of ion 1 on right wall = -5.53234729 Adsorption of ion 2 on left wall = -5.51719796 Adsorption of ion 2 on right wall = 6.54602851 ------------------------------------------------------------------------ net charge in left DL = -12.1808458 11.9587559 net charge in right DL = 12.0783758 -11.9587559 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55721915 Relative adsorption of ion 1 on right wall = -0.462618965 Relative adsorption of ion 2 on left wall = -0.461352167 Relative adsorption of ion 2 on right wall = 0.547383737 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0052121508 Right electrode charge = -0.0052121508 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 269 -1.00 3.0000 1.5000 Na ion: 269 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00171 Bulk concentration of Na = 1.00204 ________________________________________________________________________ Average electrode charge 1 = 0.00801194721 Average electrode charge 2 = -0.00801194721 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.403810 -0.570268 -0.574015 ________________________________________________________________________ Electrode charge exchange: 0.0638265855 Move Jump Cl: 0.93394 0.36846 Na: 0.93376 0.36863 ________________________________________________________________________ Create NaCl : 192843. / 526004. = 0.36662 Destroy NaCl : 192874. / 525370. = 0.36712 ________________________________________________________________________ Potential at left wall /kT = 1.33098834 Potential at right wall /kT = -1.30936388 ------------------------------------------------------------------------ Potential at left wall /mV = 34.4071654 Potential at right wall /mV = -33.848155 ________________________________________________________________________ Capacitance of left DL = 0.0272667499 Capacitance of right DL = 0.0277170669 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.0637135 Capacitance of right DL [F/m2] = 29.5437078 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.69069076 Adsorption of ion 1 on right wall = -5.48851448 Adsorption of ion 2 on left wall = -5.4948009 Adsorption of ion 2 on right wall = 6.60285958 ------------------------------------------------------------------------ net charge in left DL = -12.1854917 7.81955479 net charge in right DL = 12.0913741 -7.81955479 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.855635766 Relative adsorption of ion 1 on right wall = -0.701896032 Relative adsorption of ion 2 on left wall = -0.702699968 Relative adsorption of ion 2 on right wall = 0.844403518 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00728627012 Right electrode charge = -0.00728627012 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00143 Bulk concentration of Na = 1.00169 ________________________________________________________________________ Average electrode charge 1 = 0.00799011887 Average electrode charge 2 = -0.00799011887 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.403188 -0.570268 -0.573393 ________________________________________________________________________ Electrode charge exchange: 0.0637818996 Move Jump Cl: 0.93394 0.36841 Na: 0.93374 0.36869 ________________________________________________________________________ Create NaCl : 198414. / 540906. = 0.36682 Destroy NaCl : 198431. / 540473. = 0.36714 ________________________________________________________________________ Potential at left wall /kT = 1.30998818 Potential at right wall /kT = -1.28778473 ------------------------------------------------------------------------ Potential at left wall /mV = 33.8642937 Potential at right wall /mV = -33.2903159 ________________________________________________________________________ Capacitance of left DL = 0.0387283099 Capacitance of right DL = 0.0393960473 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.5296282 Capacitance of right DL [F/m2] = 30.0387657 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.68557059 Adsorption of ion 1 on right wall = -5.40911228 Adsorption of ion 2 on left wall = -5.44673061 Adsorption of ion 2 on right wall = 6.64693097 ------------------------------------------------------------------------ net charge in left DL = -12.1323012 10.9312625 net charge in right DL = 12.0560432 -10.9312625 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.611600956 Relative adsorption of ion 1 on right wall = -0.494829603 Relative adsorption of ion 2 on left wall = -0.498270956 Relative adsorption of ion 2 on right wall = 0.608066175 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00755849142 Right electrode charge = -0.00755849142 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00097 Bulk concentration of Na = 1.00124 ________________________________________________________________________ Average electrode charge 1 = 0.007992855 Average electrode charge 2 = -0.007992855 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.402274 -0.570268 -0.572479 ________________________________________________________________________ Electrode charge exchange: 0.063811297 Move Jump Cl: 0.93388 0.36844 Na: 0.93384 0.36872 ________________________________________________________________________ Create NaCl : 203922. / 555809. = 0.36689 Destroy NaCl : 203941. / 555532. = 0.36711 ________________________________________________________________________ Potential at left wall /kT = 1.30771243 Potential at right wall /kT = -1.29208586 ------------------------------------------------------------------------ Potential at left wall /mV = 33.8054637 Potential at right wall /mV = -33.4015037 ________________________________________________________________________ Capacitance of left DL = 0.0402451478 Capacitance of right DL = 0.0407318753 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.5810171 Capacitance of right DL [F/m2] = 29.9387719 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.75399066 Adsorption of ion 1 on right wall = -5.38810124 Adsorption of ion 2 on left wall = -5.38513732 Adsorption of ion 2 on right wall = 6.67304917 ------------------------------------------------------------------------ net charge in left DL = -12.139128 11.3396638 net charge in right DL = 12.0611504 -11.3396638 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.595607662 Relative adsorption of ion 1 on right wall = -0.475155288 Relative adsorption of ion 2 on left wall = -0.474893912 Relative adsorption of ion 2 on right wall = 0.588469752 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00764075981 Right electrode charge = -0.00764075981 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00168 Bulk concentration of Na = 1.00191 ________________________________________________________________________ Average electrode charge 1 = 0.00799888659 Average electrode charge 2 = -0.00799888659 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.403647 -0.570268 -0.573851 ________________________________________________________________________ Electrode charge exchange: 0.0638285568 Move Jump Cl: 0.93383 0.36829 Na: 0.93385 0.36858 ________________________________________________________________________ Create NaCl : 209394. / 570935. = 0.36676 Destroy NaCl : 209392. / 570490. = 0.36704 ________________________________________________________________________ Potential at left wall /kT = 1.32136442 Potential at right wall /kT = -1.30533933 ------------------------------------------------------------------------ Potential at left wall /mV = 34.158379 Potential at right wall /mV = -33.744117 ________________________________________________________________________ Capacitance of left DL = 0.0402628575 Capacitance of right DL = 0.0407571472 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.2753939 Capacitance of right DL [F/m2] = 29.6347953 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.73464109 Adsorption of ion 1 on right wall = -5.45340804 Adsorption of ion 2 on left wall = -5.41830588 Adsorption of ion 2 on right wall = 6.63058009 ------------------------------------------------------------------------ net charge in left DL = -12.152947 11.4630874 net charge in right DL = 12.0839881 -11.4630874 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.587506739 Relative adsorption of ion 1 on right wall = -0.47573641 Relative adsorption of ion 2 on left wall = -0.472674219 Relative adsorption of ion 2 on right wall = 0.578428818 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00871623529 Right electrode charge = -0.00871623529 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00173 Bulk concentration of Na = 1.00193 ________________________________________________________________________ Average electrode charge 1 = 0.0080052592 Average electrode charge 2 = -0.0080052592 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.403721 -0.570268 -0.573925 ________________________________________________________________________ Electrode charge exchange: 0.0638191925 Move Jump Cl: 0.93381 0.36834 Na: 0.93400 0.36861 ________________________________________________________________________ Create NaCl : 214863. / 585888. = 0.36673 Destroy NaCl : 214852. / 585644. = 0.36686 ________________________________________________________________________ Potential at left wall /kT = 1.32385341 Potential at right wall /kT = -1.30579104 ------------------------------------------------------------------------ Potential at left wall /mV = 34.2227216 Potential at right wall /mV = -33.7557941 ________________________________________________________________________ Capacitance of left DL = 0.045843704 Capacitance of right DL = 0.0464778377 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.2203528 Capacitance of right DL [F/m2] = 29.6245438 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.69990385 Adsorption of ion 1 on right wall = -5.44868119 Adsorption of ion 2 on left wall = -5.45820894 Adsorption of ion 2 on right wall = 6.65161457 ------------------------------------------------------------------------ net charge in left DL = -12.1581128 13.0765747 net charge in right DL = 12.1002958 -13.0765747 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.512359236 Relative adsorption of ion 1 on right wall = -0.416674955 Relative adsorption of ion 2 on left wall = -0.417403567 Relative adsorption of ion 2 on right wall = 0.508666428 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 3 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100153903 Right electrode charge = -0.0100153903 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 319 -1.00 3.0000 1.5000 Na ion: 319 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00220 Bulk concentration of Na = 1.00224 ________________________________________________________________________ Average electrode charge 1 = 0.00800971378 Average electrode charge 2 = -0.00800971378 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.400063 -15.404494 -0.570268 -0.574699 ________________________________________________________________________ Electrode charge exchange: 0.0638279276 Move Jump Cl: 0.93371 0.36841 Na: 0.93398 0.36859 ________________________________________________________________________ Create NaCl : 220399. / 601117. = 0.36665 Destroy NaCl : 220380. / 600567. = 0.36695 ________________________________________________________________________ Potential at left wall /kT = 1.3304087 Potential at right wall /kT = -1.31040032 ------------------------------------------------------------------------ Potential at left wall /mV = 34.3921813 Potential at right wall /mV = -33.874948 ________________________________________________________________________ Capacitance of left DL = 0.0524171562 Capacitance of right DL = 0.0532175087 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.0763762 Capacitance of right DL [F/m2] = 29.5203405 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.65470472 Adsorption of ion 1 on right wall = -5.45469444 Adsorption of ion 2 on left wall = -5.49091207 Adsorption of ion 2 on right wall = 6.68042293 ------------------------------------------------------------------------ net charge in left DL = -12.1456168 15.0256384 net charge in right DL = 12.1351174 -15.0256384 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.442889982 Relative adsorption of ion 1 on right wall = -0.363025803 Relative adsorption of ion 2 on left wall = -0.365436191 Relative adsorption of ion 2 on right wall = 0.444601604 ________________________________________________________________________ End of iteration 3 ======================================================================== 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 247.084729 net charge on right wall /e = -247.084729 net charge on walls /e (starting) = 0. Initial sigma = 0.164695165 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 4 1 1. 1.00223579 1 -15.4000633 -15.4044941 1 -1.06 -0.574698747 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 4 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00890384708 Right electrode charge = -0.00890384708 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.97925 Bulk concentration of Na = 0.97742 ________________________________________________________________________ Average electrode charge 1 = 0.00963715507 Average electrode charge 2 = -0.00963715507 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.360688 -0.574699 -0.530893 ________________________________________________________________________ Electrode charge exchange: 0.0638321289 Move Jump Cl: 0.93474 0.37483 Na: 0.93081 0.37065 ________________________________________________________________________ Create NaCl : 5477. / 14889. = 0.36786 Destroy NaCl : 5467. / 14965. = 0.36532 ________________________________________________________________________ Potential at left wall /kT = 2.15129213 Potential at right wall /kT = -2.19995263 ------------------------------------------------------------------------ Potential at left wall /mV = 55.6127068 Potential at right wall /mV = -56.8706218 ________________________________________________________________________ Capacitance of left DL = 0.0288183398 Capacitance of right DL = 0.0281809101 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 17.981502 Capacitance of right DL [F/m2] = 17.5837712 ________________________________________________________________________ Adsorption of ion 1 on left wall = 8.3450162 Adsorption of ion 1 on right wall = -3.8646338 Adsorption of ion 2 on left wall = -5.44591285 Adsorption of ion 2 on right wall = 10.4609705 ------------------------------------------------------------------------ net charge in left DL = -13.7909291 13.3580402 net charge in right DL = 14.3256043 -13.3580402 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.6247186 Relative adsorption of ion 1 on right wall = -0.289311435 Relative adsorption of ion 2 on left wall = -0.407688011 Relative adsorption of ion 2 on right wall = 0.783121647 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00690736457 Right electrode charge = -0.00690736457 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.98872 Bulk concentration of Na = 0.98772 ________________________________________________________________________ Average electrode charge 1 = 0.00894345366 Average electrode charge 2 = -0.00894345366 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.380794 -0.574699 -0.550999 ________________________________________________________________________ Electrode charge exchange: 0.06390027 Move Jump Cl: 0.93310 0.37061 Na: 0.93272 0.36754 ________________________________________________________________________ Create NaCl : 10918. / 30014. = 0.36376 Destroy NaCl : 10920. / 29951. = 0.36460 ________________________________________________________________________ Potential at left wall /kT = 1.51814154 Potential at right wall /kT = -1.51440436 ------------------------------------------------------------------------ Potential at left wall /mV = 39.2452327 Potential at right wall /mV = -39.1486236 ________________________________________________________________________ Capacitance of left DL = 0.0316804082 Capacitance of right DL = 0.0317585876 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 25.4808019 Capacitance of right DL [F/m2] = 25.5436822 ________________________________________________________________________ Adsorption of ion 1 on left wall = 9.22672675 Adsorption of ion 1 on right wall = -5.17919825 Adsorption of ion 2 on left wall = -3.73335466 Adsorption of ion 2 on right wall = 8.07485367 ------------------------------------------------------------------------ net charge in left DL = -12.9600814 10.3628076 net charge in right DL = 13.2540519 -10.3628076 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.890369399 Relative adsorption of ion 1 on right wall = -0.499787168 Relative adsorption of ion 2 on left wall = -0.360264787 Relative adsorption of ion 2 on right wall = 0.779214862 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00902608656 Right electrode charge = -0.00902608656 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99058 Bulk concentration of Na = 0.98951 ________________________________________________________________________ Average electrode charge 1 = 0.00847121117 Average electrode charge 2 = -0.00847121117 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.384488 -0.574699 -0.554693 ________________________________________________________________________ Electrode charge exchange: 0.0638942269 Move Jump Cl: 0.93338 0.36873 Na: 0.93270 0.36562 ________________________________________________________________________ Create NaCl : 16353. / 45003. = 0.36338 Destroy NaCl : 16374. / 44905. = 0.36464 ________________________________________________________________________ Potential at left wall /kT = 1.5410795 Potential at right wall /kT = -1.51512604 ------------------------------------------------------------------------ Potential at left wall /mV = 39.8381983 Potential at right wall /mV = -39.1672797 ________________________________________________________________________ Capacitance of left DL = 0.0407816792 Capacitance of right DL = 0.0414802517 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 25.1015368 Capacitance of right DL [F/m2] = 25.5315153 ________________________________________________________________________ Adsorption of ion 1 on left wall = 9.95541977 Adsorption of ion 1 on right wall = -6.17299134 Adsorption of ion 2 on left wall = -2.49846741 Adsorption of ion 2 on right wall = 6.59285481 ------------------------------------------------------------------------ net charge in left DL = -12.4538872 13.5414306 net charge in right DL = 12.7658461 -13.5414306 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.735182275 Relative adsorption of ion 1 on right wall = -0.455859614 Relative adsorption of ion 2 on left wall = -0.184505425 Relative adsorption of ion 2 on right wall = 0.486865457 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00750240847 Right electrode charge = -0.00750240847 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99158 Bulk concentration of Na = 0.98898 ________________________________________________________________________ Average electrode charge 1 = 0.00830908578 Average electrode charge 2 = -0.00830908578 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.384950 -0.574699 -0.555154 ________________________________________________________________________ Electrode charge exchange: 0.0638952462 Move Jump Cl: 0.93322 0.36937 Na: 0.93213 0.36702 ________________________________________________________________________ Create NaCl : 21848. / 59900. = 0.36474 Destroy NaCl : 21854. / 59924. = 0.36470 ________________________________________________________________________ Potential at left wall /kT = 1.59778159 Potential at right wall /kT = -1.59471773 ------------------------------------------------------------------------ Potential at left wall /mV = 41.3039951 Potential at right wall /mV = -41.2247917 ________________________________________________________________________ Capacitance of left DL = 0.0326944431 Capacitance of right DL = 0.0327572575 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 24.2107331 Capacitance of right DL [F/m2] = 24.2572481 ________________________________________________________________________ Adsorption of ion 1 on left wall = 8.56545846 Adsorption of ion 1 on right wall = -6.56885404 Adsorption of ion 2 on left wall = -3.56393368 Adsorption of ion 2 on right wall = 6.32182882 ------------------------------------------------------------------------ net charge in left DL = -12.1293921 11.2555251 net charge in right DL = 12.8906829 -11.2555251 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.761000343 Relative adsorption of ion 1 on right wall = -0.583611513 Relative adsorption of ion 2 on left wall = -0.316638597 Relative adsorption of ion 2 on right wall = 0.561664494 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00707444695 Right electrode charge = -0.00707444695 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99525 Bulk concentration of Na = 0.99322 ________________________________________________________________________ Average electrode charge 1 = 0.00820354992 Average electrode charge 2 = -0.00820354992 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.392934 -0.574699 -0.563138 ________________________________________________________________________ Electrode charge exchange: 0.0639256274 Move Jump Cl: 0.93372 0.37015 Na: 0.93337 0.36774 ________________________________________________________________________ Create NaCl : 27356. / 74921. = 0.36513 Destroy NaCl : 27378. / 74891. = 0.36557 ________________________________________________________________________ Potential at left wall /kT = 1.51294987 Potential at right wall /kT = -1.50748265 ------------------------------------------------------------------------ Potential at left wall /mV = 39.1110238 Potential at right wall /mV = -38.9696916 ________________________________________________________________________ Capacitance of left DL = 0.0325580667 Capacitance of right DL = 0.0326761457 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 25.5682389 Capacitance of right DL [F/m2] = 25.6609677 ________________________________________________________________________ Adsorption of ion 1 on left wall = 8.05684182 Adsorption of ion 1 on right wall = -5.97851485 Adsorption of ion 2 on left wall = -3.99611079 Adsorption of ion 2 on right wall = 6.66836588 ------------------------------------------------------------------------ net charge in left DL = -12.0529526 10.6134737 net charge in right DL = 12.6468807 -10.6134737 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.759114501 Relative adsorption of ion 1 on right wall = -0.563294827 Relative adsorption of ion 2 on left wall = -0.376512996 Relative adsorption of ion 2 on right wall = 0.628292494 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00782498613 Right electrode charge = -0.00782498613 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99348 Bulk concentration of Na = 0.99115 ________________________________________________________________________ Average electrode charge 1 = 0.00808224605 Average electrode charge 2 = -0.00808224605 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389063 -0.574699 -0.559267 ________________________________________________________________________ Electrode charge exchange: 0.063898443 Move Jump Cl: 0.93368 0.37023 Na: 0.93321 0.36832 ________________________________________________________________________ Create NaCl : 32834. / 90042. = 0.36465 Destroy NaCl : 32854. / 89877. = 0.36554 ________________________________________________________________________ Potential at left wall /kT = 1.32103456 Potential at right wall /kT = -1.2908403 ------------------------------------------------------------------------ Potential at left wall /mV = 34.1498519 Potential at right wall /mV = -33.3693049 ________________________________________________________________________ Capacitance of left DL = 0.0412439309 Capacitance of right DL = 0.0422086746 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.2827039 Capacitance of right DL [F/m2] = 29.9676605 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.42827155 Adsorption of ion 1 on right wall = -4.82615345 Adsorption of ion 2 on left wall = -4.30495807 Adsorption of ion 2 on right wall = 7.58715582 ------------------------------------------------------------------------ net charge in left DL = -11.7332296 11.7394738 net charge in right DL = 12.4133093 -11.7394738 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.632760179 Relative adsorption of ion 1 on right wall = -0.41110475 Relative adsorption of ion 2 on left wall = -0.366707924 Relative adsorption of ion 2 on right wall = 0.646294369 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00764521662 Right electrode charge = -0.00764521662 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99354 Bulk concentration of Na = 0.99134 ________________________________________________________________________ Average electrode charge 1 = 0.0080257227 Average electrode charge 2 = -0.0080257227 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389318 -0.574699 -0.559523 ________________________________________________________________________ Electrode charge exchange: 0.0638769695 Move Jump Cl: 0.93419 0.37030 Na: 0.93292 0.36783 ________________________________________________________________________ Create NaCl : 38386. / 105117. = 0.36517 Destroy NaCl : 38385. / 104872. = 0.36602 ________________________________________________________________________ Potential at left wall /kT = 1.16595926 Potential at right wall /kT = -1.12906931 ------------------------------------------------------------------------ Potential at left wall /mV = 30.1410253 Potential at right wall /mV = -29.1873891 ________________________________________________________________________ Capacitance of left DL = 0.0456559174 Capacitance of right DL = 0.0471476278 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 33.1773717 Capacitance of right DL [F/m2] = 34.2613721 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.43198926 Adsorption of ion 1 on right wall = -4.33907979 Adsorption of ion 2 on left wall = -4.14873468 Adsorption of ion 2 on right wall = 7.88664866 ------------------------------------------------------------------------ net charge in left DL = -11.5807239 11.4697737 net charge in right DL = 12.2257284 -11.4697737 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.647963022 Relative adsorption of ion 1 on right wall = -0.378305614 Relative adsorption of ion 2 on left wall = -0.361710246 Relative adsorption of ion 2 on right wall = 0.687602811 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00849169501 Right electrode charge = -0.00849169501 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99170 Bulk concentration of Na = 0.99069 ________________________________________________________________________ Average electrode charge 1 = 0.00800670583 Average electrode charge 2 = -0.00800670583 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.386802 -0.574699 -0.557007 ________________________________________________________________________ Electrode charge exchange: 0.0638898533 Move Jump Cl: 0.93439 0.37047 Na: 0.93310 0.36822 ________________________________________________________________________ Create NaCl : 43864. / 120082. = 0.36528 Destroy NaCl : 43873. / 119775. = 0.36630 ________________________________________________________________________ Potential at left wall /kT = 1.15272099 Potential at right wall /kT = -1.1174312 ------------------------------------------------------------------------ Potential at left wall /mV = 29.7988049 Potential at right wall /mV = -28.8865343 ________________________________________________________________________ Capacitance of left DL = 0.0512933235 Capacitance of right DL = 0.0529132267 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 33.5583928 Capacitance of right DL [F/m2] = 34.6182062 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.70621677 Adsorption of ion 1 on right wall = -4.49054782 Adsorption of ion 2 on left wall = -4.03235337 Adsorption of ion 2 on right wall = 7.54431121 ------------------------------------------------------------------------ net charge in left DL = -11.7385701 12.7397071 net charge in right DL = 12.034859 -12.7397071 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.604897485 Relative adsorption of ion 1 on right wall = -0.352484385 Relative adsorption of ion 2 on left wall = -0.316518531 Relative adsorption of ion 2 on right wall = 0.59218875 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0077490489 Right electrode charge = -0.0077490489 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99119 Bulk concentration of Na = 0.99018 ________________________________________________________________________ Average electrode charge 1 = 0.00799980239 Average electrode charge 2 = -0.00799980239 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.385778 -0.574699 -0.555982 ________________________________________________________________________ Electrode charge exchange: 0.0638339054 Move Jump Cl: 0.93493 0.37051 Na: 0.93350 0.36884 ________________________________________________________________________ Create NaCl : 49355. / 134940. = 0.36576 Destroy NaCl : 49377. / 134918. = 0.36598 ________________________________________________________________________ Potential at left wall /kT = 1.08154316 Potential at right wall /kT = -1.04182366 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9587984 Potential at right wall /mV = -26.9320159 ________________________________________________________________________ Capacitance of left DL = 0.0498878971 Capacitance of right DL = 0.0517898721 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7669162 Capacitance of right DL [F/m2] = 37.1305291 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.48390515 Adsorption of ion 1 on right wall = -4.4946004 Adsorption of ion 2 on left wall = -4.21011172 Adsorption of ion 2 on right wall = 7.49257532 ------------------------------------------------------------------------ net charge in left DL = -11.6940169 11.6255486 net charge in right DL = 11.9871757 -11.6255486 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.643746407 Relative adsorption of ion 1 on right wall = -0.386614047 Relative adsorption of ion 2 on left wall = -0.362143057 Relative adsorption of ion 2 on right wall = 0.644492192 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00655638814 Right electrode charge = -0.00655638814 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99125 Bulk concentration of Na = 0.99073 ________________________________________________________________________ Average electrode charge 1 = 0.00796837642 Average electrode charge 2 = -0.00796837642 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.386388 -0.574699 -0.556593 ________________________________________________________________________ Electrode charge exchange: 0.0638203611 Move Jump Cl: 0.93478 0.37023 Na: 0.93343 0.36871 ________________________________________________________________________ Create NaCl : 54854. / 150024. = 0.36563 Destroy NaCl : 54849. / 149950. = 0.36578 ________________________________________________________________________ Potential at left wall /kT = 1.02035621 Potential at right wall /kT = -0.98597171 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3770642 Potential at right wall /mV = -25.4881961 ________________________________________________________________________ Capacitance of left DL = 0.0447407745 Capacitance of right DL = 0.0463010515 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.9117248 Capacitance of right DL [F/m2] = 39.2338475 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.49250863 Adsorption of ion 1 on right wall = -4.30127304 Adsorption of ion 2 on left wall = -4.20051915 Adsorption of ion 2 on right wall = 7.54320918 ------------------------------------------------------------------------ net charge in left DL = -11.6930278 9.83625346 net charge in right DL = 11.8444822 -9.83625346 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.761723827 Relative adsorption of ion 1 on right wall = -0.437287739 Relative adsorption of ion 2 on left wall = -0.427044623 Relative adsorption of ion 2 on right wall = 0.766878285 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0080168766 Right electrode charge = -0.0080168766 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99151 Bulk concentration of Na = 0.99139 ________________________________________________________________________ Average electrode charge 1 = 0.00789724694 Average electrode charge 2 = -0.00789724694 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.387325 -0.574699 -0.557530 ________________________________________________________________________ Electrode charge exchange: 0.0638237847 Move Jump Cl: 0.93487 0.37079 Na: 0.93353 0.36892 ________________________________________________________________________ Create NaCl : 60345. / 164992. = 0.36575 Destroy NaCl : 60345. / 164879. = 0.36600 ________________________________________________________________________ Potential at left wall /kT = 1.02250842 Potential at right wall /kT = -0.997525355 ------------------------------------------------------------------------ Potential at left wall /mV = 26.4327006 Potential at right wall /mV = -25.7868675 ________________________________________________________________________ Capacitance of left DL = 0.0545919943 Capacitance of right DL = 0.0559592529 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.831927 Capacitance of right DL [F/m2] = 38.779429 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.21755667 Adsorption of ion 1 on right wall = -4.35863576 Adsorption of ion 2 on left wall = -4.44479823 Adsorption of ion 2 on right wall = 7.33960632 ------------------------------------------------------------------------ net charge in left DL = -11.6623549 12.0273584 net charge in right DL = 11.6982421 -12.0273584 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.600094918 Relative adsorption of ion 1 on right wall = -0.362393437 Relative adsorption of ion 2 on left wall = -0.36955731 Relative adsorption of ion 2 on right wall = 0.610242587 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00679446098 Right electrode charge = -0.00679446098 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 277 -1.00 3.0000 1.5000 Na ion: 277 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99096 Bulk concentration of Na = 0.99105 ________________________________________________________________________ Average electrode charge 1 = 0.00786984355 Average electrode charge 2 = -0.00786984355 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.386417 -0.574699 -0.556621 ________________________________________________________________________ Electrode charge exchange: 0.0638377556 Move Jump Cl: 0.93494 0.37086 Na: 0.93376 0.36963 ________________________________________________________________________ Create NaCl : 65894. / 179984. = 0.36611 Destroy NaCl : 65917. / 179882. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.0572825 Potential at right wall /kT = -1.04297716 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3316398 Potential at right wall /mV = -26.9618348 ________________________________________________________________________ Capacitance of left DL = 0.0447460413 Capacitance of right DL = 0.0453597722 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5876328 Capacitance of right DL [F/m2] = 37.089464 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.19199837 Adsorption of ion 1 on right wall = -4.37161691 Adsorption of ion 2 on left wall = -4.49842692 Adsorption of ion 2 on right wall = 7.29335502 ------------------------------------------------------------------------ net charge in left DL = -11.6904253 10.1934234 net charge in right DL = 11.6649719 -10.1934234 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.705552794 Relative adsorption of ion 1 on right wall = -0.42886641 Relative adsorption of ion 2 on left wall = -0.441306786 Relative adsorption of ion 2 on right wall = 0.715496132 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0060268235 Right electrode charge = -0.0060268235 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99197 Bulk concentration of Na = 0.99188 ________________________________________________________________________ Average electrode charge 1 = 0.00786325161 Average electrode charge 2 = -0.00786325161 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.388270 -0.574699 -0.558474 ________________________________________________________________________ Electrode charge exchange: 0.0638021762 Move Jump Cl: 0.93479 0.37025 Na: 0.93363 0.36953 ________________________________________________________________________ Create NaCl : 71366. / 195034. = 0.36592 Destroy NaCl : 71390. / 194691. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.04834892 Potential at right wall /kT = -1.02983924 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1006993 Potential at right wall /mV = -26.6222085 ________________________________________________________________________ Capacitance of left DL = 0.0400288649 Capacitance of right DL = 0.0407483185 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8994169 Capacitance of right DL [F/m2] = 37.5626237 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.17681199 Adsorption of ion 1 on right wall = -4.33357134 Adsorption of ion 2 on left wall = -4.4791847 Adsorption of ion 2 on right wall = 7.34850633 ------------------------------------------------------------------------ net charge in left DL = -11.6559967 9.04177152 net charge in right DL = 11.6820777 -9.04177152 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.793739587 Relative adsorption of ion 1 on right wall = -0.479283438 Relative adsorption of ion 2 on left wall = -0.495387954 Relative adsorption of ion 2 on right wall = 0.812728602 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00893639972 Right electrode charge = -0.00893639972 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99164 Bulk concentration of Na = 0.99201 ________________________________________________________________________ Average electrode charge 1 = 0.00788928787 Average electrode charge 2 = -0.00788928787 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.388068 -0.574699 -0.558272 ________________________________________________________________________ Electrode charge exchange: 0.063795451 Move Jump Cl: 0.93503 0.36985 Na: 0.93405 0.36997 ________________________________________________________________________ Create NaCl : 76879. / 210253. = 0.36565 Destroy NaCl : 76886. / 209533. = 0.36694 ________________________________________________________________________ Potential at left wall /kT = 1.0971605 Potential at right wall /kT = -1.08847429 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3625197 Potential at right wall /mV = -28.1379738 ________________________________________________________________________ Capacitance of left DL = 0.0567130592 Capacitance of right DL = 0.0571656392 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.2577983 Capacitance of right DL [F/m2] = 35.5391616 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.33783273 Adsorption of ion 1 on right wall = -4.52621965 Adsorption of ion 2 on left wall = -4.4668847 Adsorption of ion 2 on right wall = 7.17015102 ------------------------------------------------------------------------ net charge in left DL = -11.8047174 13.4068775 net charge in right DL = 11.6963707 -13.4068775 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.547318548 Relative adsorption of ion 1 on right wall = -0.337604311 Relative adsorption of ion 2 on left wall = -0.333178601 Relative adsorption of ion 2 on right wall = 0.534811406 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00826298261 Right electrode charge = -0.00826298261 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99276 Bulk concentration of Na = 0.99340 ________________________________________________________________________ Average electrode charge 1 = 0.00792987166 Average electrode charge 2 = -0.00792987166 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.390606 -0.574699 -0.560811 ________________________________________________________________________ Electrode charge exchange: 0.0637904864 Move Jump Cl: 0.93455 0.36983 Na: 0.93429 0.36986 ________________________________________________________________________ Create NaCl : 82428. / 225382. = 0.36573 Destroy NaCl : 82441. / 224532. = 0.36717 ________________________________________________________________________ Potential at left wall /kT = 1.01973738 Potential at right wall /kT = -1.02312873 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3610671 Potential at right wall /mV = -26.4487362 ________________________________________________________________________ Capacitance of left DL = 0.0564207884 Capacitance of right DL = 0.0562337717 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.9347313 Capacitance of right DL [F/m2] = 37.80899 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.30625493 Adsorption of ion 1 on right wall = -4.63159063 Adsorption of ion 2 on left wall = -4.54809177 Adsorption of ion 2 on right wall = 7.03813823 ------------------------------------------------------------------------ net charge in left DL = -11.8543467 12.3965802 net charge in right DL = 11.6697289 -12.3965802 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.589376652 Relative adsorption of ion 1 on right wall = -0.373618414 Relative adsorption of ion 2 on left wall = -0.366882777 Relative adsorption of ion 2 on right wall = 0.567748373 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00427875117 Right electrode charge = -0.00427875117 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99284 Bulk concentration of Na = 0.99418 ________________________________________________________________________ Average electrode charge 1 = 0.00790204466 Average electrode charge 2 = -0.00790204466 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.391476 -0.574699 -0.561680 ________________________________________________________________________ Electrode charge exchange: 0.0637887986 Move Jump Cl: 0.93434 0.37010 Na: 0.93431 0.37013 ________________________________________________________________________ Create NaCl : 87975. / 240451. = 0.36587 Destroy NaCl : 87991. / 239544. = 0.36733 ________________________________________________________________________ Potential at left wall /kT = 1.029607 Potential at right wall /kT = -1.04320468 ------------------------------------------------------------------------ Potential at left wall /mV = 26.616205 Potential at right wall /mV = -26.9677164 ________________________________________________________________________ Capacitance of left DL = 0.0289358468 Capacitance of right DL = 0.0285586818 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.5710962 Capacitance of right DL [F/m2] = 37.0813748 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.21529549 Adsorption of ion 1 on right wall = -4.63675035 Adsorption of ion 2 on left wall = -4.71891406 Adsorption of ion 2 on right wall = 6.90644011 ------------------------------------------------------------------------ net charge in left DL = -11.9342095 6.41921742 net charge in right DL = 11.5431905 -6.41921742 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.12401482 Relative adsorption of ion 1 on right wall = -0.722323305 Relative adsorption of ion 2 on left wall = -0.735122951 Relative adsorption of ion 2 on right wall = 1.07590064 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00936803138 Right electrode charge = -0.00936803138 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99196 Bulk concentration of Na = 0.99320 ________________________________________________________________________ Average electrode charge 1 = 0.00785471493 Average electrode charge 2 = -0.00785471493 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389589 -0.574699 -0.559794 ________________________________________________________________________ Electrode charge exchange: 0.0638433301 Move Jump Cl: 0.93454 0.37007 Na: 0.93426 0.37005 ________________________________________________________________________ Create NaCl : 93469. / 255336. = 0.36606 Destroy NaCl : 93488. / 254457. = 0.36740 ________________________________________________________________________ Potential at left wall /kT = 1.03165725 Potential at right wall /kT = -1.05566902 ------------------------------------------------------------------------ Potential at left wall /mV = 26.6692057 Potential at right wall /mV = -27.28993 ________________________________________________________________________ Capacitance of left DL = 0.0632271426 Capacitance of right DL = 0.0617890067 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.4964299 Capacitance of right DL [F/m2] = 36.6435531 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.12394555 Adsorption of ion 1 on right wall = -4.55366622 Adsorption of ion 2 on left wall = -4.73860135 Adsorption of ion 2 on right wall = 6.94597512 ------------------------------------------------------------------------ net charge in left DL = -11.8625469 14.054435 net charge in right DL = 11.4996413 -14.054435 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.506882385 Relative adsorption of ion 1 on right wall = -0.324002082 Relative adsorption of ion 2 on left wall = -0.337160572 Relative adsorption of ion 2 on right wall = 0.494219448 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00444832431 Right electrode charge = -0.00444832431 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99075 Bulk concentration of Na = 0.99200 ________________________________________________________________________ Average electrode charge 1 = 0.00787494438 Average electrode charge 2 = -0.00787494438 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.387172 -0.574699 -0.557376 ________________________________________________________________________ Electrode charge exchange: 0.0638263749 Move Jump Cl: 0.93466 0.37006 Na: 0.93449 0.37021 ________________________________________________________________________ Create NaCl : 98983. / 270288. = 0.36621 Destroy NaCl : 98997. / 269436. = 0.36742 ________________________________________________________________________ Potential at left wall /kT = 1.04301167 Potential at right wall /kT = -1.06421491 ------------------------------------------------------------------------ Potential at left wall /mV = 26.962727 Potential at right wall /mV = -27.5108484 ________________________________________________________________________ Capacitance of left DL = 0.0296959981 Capacitance of right DL = 0.0291043402 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0882366 Capacitance of right DL [F/m2] = 36.349297 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.19865173 Adsorption of ion 1 on right wall = -4.40477049 Adsorption of ion 2 on left wall = -4.70536436 Adsorption of ion 2 on right wall = 7.13197453 ------------------------------------------------------------------------ net charge in left DL = -11.9040161 6.67362037 net charge in right DL = 11.536745 -6.67362037 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.07867264 Relative adsorption of ion 1 on right wall = -0.660027129 Relative adsorption of ion 2 on left wall = -0.705069228 Relative adsorption of ion 2 on right wall = 1.06868149 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00860876761 Right electrode charge = -0.00860876761 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99072 Bulk concentration of Na = 0.99219 ________________________________________________________________________ Average electrode charge 1 = 0.00787952251 Average electrode charge 2 = -0.00787952251 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.387338 -0.574699 -0.557543 ________________________________________________________________________ Electrode charge exchange: 0.0638509522 Move Jump Cl: 0.93480 0.36972 Na: 0.93453 0.37003 ________________________________________________________________________ Create NaCl : 104445. / 285202. = 0.36621 Destroy NaCl : 104446. / 284457. = 0.36718 ________________________________________________________________________ Potential at left wall /kT = 1.07415415 Potential at right wall /kT = -1.0874948 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7677863 Potential at right wall /mV = -28.1126533 ________________________________________________________________________ Capacitance of left DL = 0.0558039608 Capacitance of right DL = 0.0551193956 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0129536 Capacitance of right DL [F/m2] = 35.5711711 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.22512626 Adsorption of ion 1 on right wall = -4.33873163 Adsorption of ion 2 on left wall = -4.74074928 Adsorption of ion 2 on right wall = 7.1972209 ------------------------------------------------------------------------ net charge in left DL = -11.9658755 12.9153458 net charge in right DL = 11.5359525 -12.9153458 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55942182 Relative adsorption of ion 1 on right wall = -0.335936156 Relative adsorption of ion 2 on left wall = -0.367063286 Relative adsorption of ion 2 on right wall = 0.557261183 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00697742089 Right electrode charge = -0.00697742089 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 273 -1.00 3.0000 1.5000 Na ion: 273 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99192 Bulk concentration of Na = 0.99302 ________________________________________________________________________ Average electrode charge 1 = 0.00789292678 Average electrode charge 2 = -0.00789292678 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389377 -0.574699 -0.559582 ________________________________________________________________________ Electrode charge exchange: 0.0638456948 Move Jump Cl: 0.93452 0.36954 Na: 0.93438 0.36958 ________________________________________________________________________ Create NaCl : 109957. / 300104. = 0.36640 Destroy NaCl : 109984. / 299478. = 0.36725 ________________________________________________________________________ Potential at left wall /kT = 1.10844176 Potential at right wall /kT = -1.11856233 ------------------------------------------------------------------------ Potential at left wall /mV = 28.6541497 Potential at right wall /mV = -28.9157749 ________________________________________________________________________ Capacitance of left DL = 0.0438301236 Capacitance of right DL = 0.0434335558 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 34.8989592 Capacitance of right DL [F/m2] = 34.5831991 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.10166259 Adsorption of ion 1 on right wall = -4.46596324 Adsorption of ion 2 on left wall = -4.85351145 Adsorption of ion 2 on right wall = 7.16968605 ------------------------------------------------------------------------ net charge in left DL = -11.955174 10.4679099 net charge in right DL = 11.6356493 -10.4679099 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.678422211 Relative adsorption of ion 1 on right wall = -0.42663371 Relative adsorption of ion 2 on left wall = -0.463656211 Relative adsorption of ion 2 on right wall = 0.684920496 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00783404019 Right electrode charge = -0.00783404019 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99211 Bulk concentration of Na = 0.99300 ________________________________________________________________________ Average electrode charge 1 = 0.00786455662 Average electrode charge 2 = -0.00786455662 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389542 -0.574699 -0.559747 ________________________________________________________________________ Electrode charge exchange: 0.0638417912 Move Jump Cl: 0.93460 0.36969 Na: 0.93449 0.36946 ________________________________________________________________________ Create NaCl : 115559. / 315147. = 0.36668 Destroy NaCl : 115559. / 314425. = 0.36752 ________________________________________________________________________ Potential at left wall /kT = 1.07069523 Potential at right wall /kT = -1.08183699 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6783703 Potential at right wall /mV = -27.9663941 ________________________________________________________________________ Capacitance of left DL = 0.0509460571 Capacitance of right DL = 0.0504213676 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1292948 Capacitance of right DL [F/m2] = 35.7572019 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.21762913 Adsorption of ion 1 on right wall = -4.50167484 Adsorption of ion 2 on left wall = -4.64266306 Adsorption of ion 2 on right wall = 7.09845837 ------------------------------------------------------------------------ net charge in left DL = -11.8602922 11.7530572 net charge in right DL = 11.6001332 -11.7530572 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.614106525 Relative adsorption of ion 1 on right wall = -0.383021606 Relative adsorption of ion 2 on left wall = -0.395017481 Relative adsorption of ion 2 on right wall = 0.603966972 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00870172644 Right electrode charge = -0.00870172644 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99246 Bulk concentration of Na = 0.99340 ________________________________________________________________________ Average electrode charge 1 = 0.00786264085 Average electrode charge 2 = -0.00786264085 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.390307 -0.574699 -0.560511 ________________________________________________________________________ Electrode charge exchange: 0.0638681148 Move Jump Cl: 0.93465 0.36967 Na: 0.93450 0.36931 ________________________________________________________________________ Create NaCl : 121065. / 330035. = 0.36682 Destroy NaCl : 121070. / 329469. = 0.36747 ________________________________________________________________________ Potential at left wall /kT = 1.04110254 Potential at right wall /kT = -1.05354329 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9133744 Potential at right wall /mV = -27.2349781 ________________________________________________________________________ Capacitance of left DL = 0.0581972646 Capacitance of right DL = 0.0575100434 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1562475 Capacitance of right DL [F/m2] = 36.7174887 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.22822076 Adsorption of ion 1 on right wall = -4.47931864 Adsorption of ion 2 on left wall = -4.61877755 Adsorption of ion 2 on right wall = 7.09165275 ------------------------------------------------------------------------ net charge in left DL = -11.8469983 13.0548078 net charge in right DL = 11.5709714 -13.0548078 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.553682665 Relative adsorption of ion 1 on right wall = -0.343116399 Relative adsorption of ion 2 on left wall = -0.35379897 Relative adsorption of ion 2 on right wall = 0.543221538 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101115923 Right electrode charge = -0.0101115923 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99200 Bulk concentration of Na = 0.99288 ________________________________________________________________________ Average electrode charge 1 = 0.00782720332 Average electrode charge 2 = -0.00782720332 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389326 -0.574699 -0.559531 ________________________________________________________________________ Electrode charge exchange: 0.0638429641 Move Jump Cl: 0.93471 0.36989 Na: 0.93457 0.36965 ________________________________________________________________________ Create NaCl : 126667. / 344984. = 0.36717 Destroy NaCl : 126666. / 344623. = 0.36755 ________________________________________________________________________ Potential at left wall /kT = 1.02501099 Potential at right wall /kT = -1.03379883 ------------------------------------------------------------------------ Potential at left wall /mV = 26.4973944 Potential at right wall /mV = -26.7245674 ________________________________________________________________________ Capacitance of left DL = 0.068688128 Capacitance of right DL = 0.0681042423 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.7395598 Capacitance of right DL [F/m2] = 37.4187535 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.12981641 Adsorption of ion 1 on right wall = -4.41433649 Adsorption of ion 2 on left wall = -4.64684269 Adsorption of ion 2 on right wall = 7.10463484 ------------------------------------------------------------------------ net charge in left DL = -11.7766591 15.1699659 net charge in right DL = 11.5189713 -15.1699659 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.469995545 Relative adsorption of ion 1 on right wall = -0.290991852 Relative adsorption of ion 2 on left wall = -0.306318598 Relative adsorption of ion 2 on right wall = 0.468335583 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00796595795 Right electrode charge = -0.00796595795 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99124 Bulk concentration of Na = 0.99198 ________________________________________________________________________ Average electrode charge 1 = 0.00782974105 Average electrode charge 2 = -0.00782974105 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.387644 -0.574699 -0.557848 ________________________________________________________________________ Electrode charge exchange: 0.0638383213 Move Jump Cl: 0.93466 0.37033 Na: 0.93467 0.36973 ________________________________________________________________________ Create NaCl : 132125. / 359734. = 0.36729 Destroy NaCl : 132119. / 359692. = 0.36731 ________________________________________________________________________ Potential at left wall /kT = 1.07459264 Potential at right wall /kT = -1.08217912 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7791216 Potential at right wall /mV = -27.9752385 ________________________________________________________________________ Capacitance of left DL = 0.0516160541 Capacitance of right DL = 0.0512542062 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.9982585 Capacitance of right DL [F/m2] = 35.7458972 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.13059736 Adsorption of ion 1 on right wall = -4.39917 Adsorption of ion 2 on left wall = -4.66642174 Adsorption of ion 2 on right wall = 7.18336646 ------------------------------------------------------------------------ net charge in left DL = -11.7970191 11.9509675 net charge in right DL = 11.5825365 -11.9509675 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.596654402 Relative adsorption of ion 1 on right wall = -0.368101579 Relative adsorption of ion 2 on left wall = -0.39046393 Relative adsorption of ion 2 on right wall = 0.601069869 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00492450647 Right electrode charge = -0.00492450647 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99072 Bulk concentration of Na = 0.99158 ________________________________________________________________________ Average electrode charge 1 = 0.00781110975 Average electrode charge 2 = -0.00781110975 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.386709 -0.574699 -0.556914 ________________________________________________________________________ Electrode charge exchange: 0.0638498623 Move Jump Cl: 0.93472 0.37049 Na: 0.93464 0.36998 ________________________________________________________________________ Create NaCl : 137607. / 374626. = 0.36732 Destroy NaCl : 137628. / 374695. = 0.36731 ________________________________________________________________________ Potential at left wall /kT = 1.10411459 Potential at right wall /kT = -1.10663451 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5422887 Potential at right wall /mV = -28.6074308 ________________________________________________________________________ Capacitance of left DL = 0.0310555494 Capacitance of right DL = 0.0309848327 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.0357328 Capacitance of right DL [F/m2] = 34.9559528 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.08197878 Adsorption of ion 1 on right wall = -4.44190322 Adsorption of ion 2 on left wall = -4.72705828 Adsorption of ion 2 on right wall = 7.11641306 ------------------------------------------------------------------------ net charge in left DL = -11.8090371 7.38801499 net charge in right DL = 11.5583163 -7.38801499 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.958576666 Relative adsorption of ion 1 on right wall = -0.601230944 Relative adsorption of ion 2 on left wall = -0.639827922 Relative adsorption of ion 2 on right wall = 0.963237496 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00873669799 Right electrode charge = -0.00873669799 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99158 Bulk concentration of Na = 0.99247 ________________________________________________________________________ Average electrode charge 1 = 0.00782059345 Average electrode charge 2 = -0.00782059345 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.388487 -0.574699 -0.558692 ________________________________________________________________________ Electrode charge exchange: 0.0638430534 Move Jump Cl: 0.93472 0.37027 Na: 0.93450 0.37001 ________________________________________________________________________ Create NaCl : 143098. / 389585. = 0.36731 Destroy NaCl : 143091. / 389603. = 0.36727 ________________________________________________________________________ Potential at left wall /kT = 1.10447762 Potential at right wall /kT = -1.10931867 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5516733 Potential at right wall /mV = -28.6768185 ________________________________________________________________________ Capacitance of left DL = 0.0550783671 Capacitance of right DL = 0.054838006 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.0242169 Capacitance of right DL [F/m2] = 34.8713718 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.95405984 Adsorption of ion 1 on right wall = -4.3959626 Adsorption of ion 2 on left wall = -4.87610312 Adsorption of ion 2 on right wall = 7.17404753 ------------------------------------------------------------------------ net charge in left DL = -11.830163 13.107274 net charge in right DL = 11.5700101 -13.107274 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.530549665 Relative adsorption of ion 1 on right wall = -0.335383436 Relative adsorption of ion 2 on left wall = -0.372015044 Relative adsorption of ion 2 on right wall = 0.547333299 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00898945956 Right electrode charge = -0.00898945956 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99193 Bulk concentration of Na = 0.99258 ________________________________________________________________________ Average electrode charge 1 = 0.00784889254 Average electrode charge 2 = -0.00784889254 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.388946 -0.574699 -0.559151 ________________________________________________________________________ Electrode charge exchange: 0.0638532243 Move Jump Cl: 0.93499 0.37027 Na: 0.93439 0.36989 ________________________________________________________________________ Create NaCl : 148589. / 404634. = 0.36722 Destroy NaCl : 148606. / 404466. = 0.36741 ________________________________________________________________________ Potential at left wall /kT = 1.10158975 Potential at right wall /kT = -1.10864943 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4770194 Potential at right wall /mV = -28.6595183 ________________________________________________________________________ Capacitance of left DL = 0.0568204083 Capacitance of right DL = 0.0564585858 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.1160346 Capacitance of right DL [F/m2] = 34.8924218 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.05507887 Adsorption of ion 1 on right wall = -4.44681248 Adsorption of ion 2 on left wall = -4.77836553 Adsorption of ion 2 on right wall = 7.19645793 ------------------------------------------------------------------------ net charge in left DL = -11.8334444 13.4864808 net charge in right DL = 11.6432704 -13.4864808 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.523122302 Relative adsorption of ion 1 on right wall = -0.32972371 Relative adsorption of ion 2 on left wall = -0.354307814 Relative adsorption of ion 2 on right wall = 0.533605322 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0101979061 Right electrode charge = -0.0101979061 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99116 Bulk concentration of Na = 0.99220 ________________________________________________________________________ Average electrode charge 1 = 0.00783546393 Average electrode charge 2 = -0.00783546393 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.387785 -0.574699 -0.557990 ________________________________________________________________________ Electrode charge exchange: 0.0638435193 Move Jump Cl: 0.93491 0.37024 Na: 0.93445 0.36990 ________________________________________________________________________ Create NaCl : 154074. / 419506. = 0.36727 Destroy NaCl : 154077. / 419480. = 0.36730 ________________________________________________________________________ Potential at left wall /kT = 1.09846979 Potential at right wall /kT = -1.11219171 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3963659 Potential at right wall /mV = -28.751089 ________________________________________________________________________ Capacitance of left DL = 0.0646418154 Capacitance of right DL = 0.0638442824 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.2157738 Capacitance of right DL [F/m2] = 34.7812913 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.98553789 Adsorption of ion 1 on right wall = -4.3491633 Adsorption of ion 2 on left wall = -4.88608276 Adsorption of ion 2 on right wall = 7.21939462 ------------------------------------------------------------------------ net charge in left DL = -11.8716207 15.2994587 net charge in right DL = 11.5685579 -15.2994587 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.456587258 Relative adsorption of ion 1 on right wall = -0.284269097 Relative adsorption of ion 2 on left wall = -0.319363114 Relative adsorption of ion 2 on right wall = 0.471872553 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.006616728 Right electrode charge = -0.006616728 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99141 Bulk concentration of Na = 0.99238 ________________________________________________________________________ Average electrode charge 1 = 0.0078116783 Average electrode charge 2 = -0.0078116783 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.388221 -0.574699 -0.558426 ________________________________________________________________________ Electrode charge exchange: 0.0638036961 Move Jump Cl: 0.93497 0.37021 Na: 0.93434 0.36990 ________________________________________________________________________ Create NaCl : 159536. / 434474. = 0.36719 Destroy NaCl : 159564. / 434580. = 0.36717 ________________________________________________________________________ Potential at left wall /kT = 1.12722449 Potential at right wall /kT = -1.14117398 ------------------------------------------------------------------------ Potential at left wall /mV = 29.139699 Potential at right wall /mV = -29.5003049 ________________________________________________________________________ Capacitance of left DL = 0.0408717769 Capacitance of right DL = 0.0403721683 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 34.3174444 Capacitance of right DL [F/m2] = 33.8979547 ________________________________________________________________________ Adsorption of ion 1 on left wall = 7.03405234 Adsorption of ion 1 on right wall = -4.41688444 Adsorption of ion 2 on left wall = -4.81586421 Adsorption of ion 2 on right wall = 7.14913119 ------------------------------------------------------------------------ net charge in left DL = -11.8499165 9.92677863 net charge in right DL = 11.5660156 -9.92677863 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.708593654 Relative adsorption of ion 1 on right wall = -0.444946403 Relative adsorption of ion 2 on left wall = -0.485138673 Relative adsorption of ion 2 on right wall = 0.720186423 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00719967322 Right electrode charge = -0.00719967322 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99136 Bulk concentration of Na = 0.99232 ________________________________________________________________________ Average electrode charge 1 = 0.00781626854 Average electrode charge 2 = -0.00781626854 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.388111 -0.574699 -0.558316 ________________________________________________________________________ Electrode charge exchange: 0.0637920398 Move Jump Cl: 0.93496 0.37009 Na: 0.93431 0.36976 ________________________________________________________________________ Create NaCl : 165093. / 449548. = 0.36724 Destroy NaCl : 165107. / 449614. = 0.36722 ________________________________________________________________________ Potential at left wall /kT = 1.11090507 Potential at right wall /kT = -1.12364042 ------------------------------------------------------------------------ Potential at left wall /mV = 28.7178284 Potential at right wall /mV = -29.0470479 ________________________________________________________________________ Capacitance of left DL = 0.0451259635 Capacitance of right DL = 0.0446145055 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 34.8215745 Capacitance of right DL [F/m2] = 34.4269065 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.96264137 Adsorption of ion 1 on right wall = -4.31953252 Adsorption of ion 2 on left wall = -4.88221133 Adsorption of ion 2 on right wall = 7.24387923 ------------------------------------------------------------------------ net charge in left DL = -11.8448527 10.8013451 net charge in right DL = 11.5634117 -10.8013451 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.644608734 Relative adsorption of ion 1 on right wall = -0.399906909 Relative adsorption of ion 2 on left wall = -0.452000311 Relative adsorption of ion 2 on right wall = 0.670646034 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0090600029 Right electrode charge = -0.0090600029 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99182 Bulk concentration of Na = 0.99252 ________________________________________________________________________ Average electrode charge 1 = 0.00782171983 Average electrode charge 2 = -0.00782171983 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.388776 -0.574699 -0.558980 ________________________________________________________________________ Electrode charge exchange: 0.0637915355 Move Jump Cl: 0.93499 0.37022 Na: 0.93425 0.36981 ________________________________________________________________________ Create NaCl : 170600. / 464558. = 0.36723 Destroy NaCl : 170603. / 464570. = 0.36723 ________________________________________________________________________ Potential at left wall /kT = 1.10619905 Potential at right wall /kT = -1.11809356 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5961738 Potential at right wall /mV = -28.9036568 ________________________________________________________________________ Capacitance of left DL = 0.0570276804 Capacitance of right DL = 0.0564210083 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 34.9697133 Capacitance of right DL [F/m2] = 34.5976983 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.92476447 Adsorption of ion 1 on right wall = -4.40749628 Adsorption of ion 2 on left wall = -4.88812308 Adsorption of ion 2 on right wall = 7.20021509 ------------------------------------------------------------------------ net charge in left DL = -11.8128876 13.5923138 net charge in right DL = 11.6077114 -13.5923138 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.509461788 Relative adsorption of ion 1 on right wall = -0.324263871 Relative adsorption of ion 2 on left wall = -0.359624061 Relative adsorption of ion 2 on right wall = 0.529726963 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00901445242 Right electrode charge = -0.00901445242 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99284 Bulk concentration of Na = 0.99353 ________________________________________________________________________ Average electrode charge 1 = 0.00782716827 Average electrode charge 2 = -0.00782716827 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.390816 -0.574699 -0.561020 ________________________________________________________________________ Electrode charge exchange: 0.0637656876 Move Jump Cl: 0.93505 0.37014 Na: 0.93436 0.36970 ________________________________________________________________________ Create NaCl : 176130. / 479686. = 0.36718 Destroy NaCl : 176137. / 479540. = 0.36730 ________________________________________________________________________ Potential at left wall /kT = 1.0785713 Potential at right wall /kT = -1.09322922 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8819731 Potential at right wall /mV = -28.2608928 ________________________________________________________________________ Capacitance of left DL = 0.0581943934 Capacitance of right DL = 0.0574141279 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.8654675 Capacitance of right DL [F/m2] = 35.3845863 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.87907122 Adsorption of ion 1 on right wall = -4.54414128 Adsorption of ion 2 on left wall = -4.92230752 Adsorption of ion 2 on right wall = 7.05541644 ------------------------------------------------------------------------ net charge in left DL = -11.8013787 13.5239764 net charge in right DL = 11.5995577 -13.5239764 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.508657439 Relative adsorption of ion 1 on right wall = -0.336006299 Relative adsorption of ion 2 on left wall = -0.363968951 Relative adsorption of ion 2 on right wall = 0.521696889 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00931141932 Right electrode charge = -0.00931141932 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99271 Bulk concentration of Na = 0.99345 ________________________________________________________________________ Average electrode charge 1 = 0.00785521319 Average electrode charge 2 = -0.00785521319 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.390605 -0.574699 -0.560810 ________________________________________________________________________ Electrode charge exchange: 0.0637902728 Move Jump Cl: 0.93511 0.37017 Na: 0.93433 0.36976 ________________________________________________________________________ Create NaCl : 181743. / 494562. = 0.36748 Destroy NaCl : 181761. / 494640. = 0.36746 ________________________________________________________________________ Potential at left wall /kT = 1.0718069 Potential at right wall /kT = -1.08336629 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7071078 Potential at right wall /mV = -28.0059279 ________________________________________________________________________ Capacitance of left DL = 0.060490892 Capacitance of right DL = 0.0598454611 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0918219 Capacitance of right DL [F/m2] = 35.7067262 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.81787089 Adsorption of ion 1 on right wall = -4.54254679 Adsorption of ion 2 on left wall = -5.02711297 Adsorption of ion 2 on right wall = 7.08360572 ------------------------------------------------------------------------ net charge in left DL = -11.8449839 13.9695025 net charge in right DL = 11.6261525 -13.9695025 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.488053951 Relative adsorption of ion 1 on right wall = -0.325175989 Relative adsorption of ion 2 on left wall = -0.359863422 Relative adsorption of ion 2 on right wall = 0.507076449 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00872593697 Right electrode charge = -0.00872593697 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 319 -1.00 3.0000 1.5000 Na ion: 319 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99204 Bulk concentration of Na = 0.99299 ________________________________________________________________________ Average electrode charge 1 = 0.00785055007 Average electrode charge 2 = -0.00785055007 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389473 -0.574699 -0.559677 ________________________________________________________________________ Electrode charge exchange: 0.0637849452 Move Jump Cl: 0.93497 0.37006 Na: 0.93429 0.36985 ________________________________________________________________________ Create NaCl : 187252. / 509584. = 0.36746 Destroy NaCl : 187233. / 509571. = 0.36743 ________________________________________________________________________ Potential at left wall /kT = 1.06942839 Potential at right wall /kT = -1.08367458 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6456213 Potential at right wall /mV = -28.0138972 ________________________________________________________________________ Capacitance of left DL = 0.0568134307 Capacitance of right DL = 0.0560665509 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1720935 Capacitance of right DL [F/m2] = 35.6965685 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.9375688 Adsorption of ion 1 on right wall = -4.51824835 Adsorption of ion 2 on left wall = -4.93087793 Adsorption of ion 2 on right wall = 7.07214119 ------------------------------------------------------------------------ net charge in left DL = -11.8684467 13.0911297 net charge in right DL = 11.5903895 -13.0911297 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.529944241 Relative adsorption of ion 1 on right wall = -0.345138154 Relative adsorption of ion 2 on left wall = -0.376657938 Relative adsorption of ion 2 on right wall = 0.540223902 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00510913022 Right electrode charge = -0.00510913022 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99222 Bulk concentration of Na = 0.99316 ________________________________________________________________________ Average electrode charge 1 = 0.00786376436 Average electrode charge 2 = -0.00786376436 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389826 -0.574699 -0.560030 ________________________________________________________________________ Electrode charge exchange: 0.0638176785 Move Jump Cl: 0.93484 0.37009 Na: 0.93439 0.36985 ________________________________________________________________________ Create NaCl : 192680. / 524434. = 0.36741 Destroy NaCl : 192690. / 524616. = 0.36730 ________________________________________________________________________ Potential at left wall /kT = 1.09973589 Potential at right wall /kT = -1.1090866 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4290956 Potential at right wall /mV = -28.6708195 ________________________________________________________________________ Capacitance of left DL = 0.0323481335 Capacitance of right DL = 0.0320754062 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.1752308 Capacitance of right DL [F/m2] = 34.8786682 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.90586634 Adsorption of ion 1 on right wall = -4.52708556 Adsorption of ion 2 on left wall = -5.00091263 Adsorption of ion 2 on right wall = 7.10386785 ------------------------------------------------------------------------ net charge in left DL = -11.906779 7.66499767 net charge in right DL = 11.6309534 -7.66499767 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.90096131 Relative adsorption of ion 1 on right wall = -0.590617996 Relative adsorption of ion 2 on left wall = -0.652434983 Relative adsorption of ion 2 on right wall = 0.926793217 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00702270225 Right electrode charge = -0.00702270225 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99195 Bulk concentration of Na = 0.99271 ________________________________________________________________________ Average electrode charge 1 = 0.00784733335 Average electrode charge 2 = -0.00784733335 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389095 -0.574699 -0.559300 ________________________________________________________________________ Electrode charge exchange: 0.0637919244 Move Jump Cl: 0.93488 0.37014 Na: 0.93432 0.36996 ________________________________________________________________________ Create NaCl : 198259. / 539337. = 0.36760 Destroy NaCl : 198268. / 539684. = 0.36738 ________________________________________________________________________ Potential at left wall /kT = 1.11173829 Potential at right wall /kT = -1.11649235 ------------------------------------------------------------------------ Potential at left wall /mV = 28.7393679 Potential at right wall /mV = -28.8622641 ________________________________________________________________________ Capacitance of left DL = 0.043983759 Capacitance of right DL = 0.0437964751 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 34.7954765 Capacitance of right DL [F/m2] = 34.6473165 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.90847738 Adsorption of ion 1 on right wall = -4.51783096 Adsorption of ion 2 on left wall = -4.95371202 Adsorption of ion 2 on right wall = 7.12386113 ------------------------------------------------------------------------ net charge in left DL = -11.8621894 10.5358435 net charge in right DL = 11.6416921 -10.5358435 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.655711845 Relative adsorption of ion 1 on right wall = -0.428805815 Relative adsorption of ion 2 on left wall = -0.470177069 Relative adsorption of ion 2 on right wall = 0.676154798 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00587138356 Right electrode charge = -0.00587138356 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99175 Bulk concentration of Na = 0.99253 ________________________________________________________________________ Average electrode charge 1 = 0.00783523214 Average electrode charge 2 = -0.00783523214 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.388715 -0.574699 -0.558919 ________________________________________________________________________ Electrode charge exchange: 0.0637982542 Move Jump Cl: 0.93488 0.37020 Na: 0.93432 0.37004 ________________________________________________________________________ Create NaCl : 203806. / 554299. = 0.36768 Destroy NaCl : 203828. / 554672. = 0.36747 ________________________________________________________________________ Potential at left wall /kT = 1.09520235 Potential at right wall /kT = -1.10076741 ------------------------------------------------------------------------ Potential at left wall /mV = 28.3119 Potential at right wall /mV = -28.4557613 ________________________________________________________________________ Capacitance of left DL = 0.0373281732 Capacitance of right DL = 0.0371394564 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.3208369 Capacitance of right DL [F/m2] = 35.1422684 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.97633222 Adsorption of ion 1 on right wall = -4.53827454 Adsorption of ion 2 on left wall = -4.861806 Adsorption of ion 2 on right wall = 7.0728485 ------------------------------------------------------------------------ net charge in left DL = -11.8381382 8.80857198 net charge in right DL = 11.611123 -8.80857198 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.791993553 Relative adsorption of ion 1 on right wall = -0.515211154 Relative adsorption of ion 2 on left wall = -0.551940316 Relative adsorption of ion 2 on right wall = 0.802950639 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00999400041 Right electrode charge = -0.00999400041 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99191 Bulk concentration of Na = 0.99276 ________________________________________________________________________ Average electrode charge 1 = 0.00782066615 Average electrode charge 2 = -0.00782066615 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389110 -0.574699 -0.559315 ________________________________________________________________________ Electrode charge exchange: 0.0638299889 Move Jump Cl: 0.93487 0.37015 Na: 0.93430 0.37013 ________________________________________________________________________ Create NaCl : 209419. / 569437. = 0.36777 Destroy NaCl : 209437. / 569638. = 0.36767 ________________________________________________________________________ Potential at left wall /kT = 1.10616188 Potential at right wall /kT = -1.10950423 ------------------------------------------------------------------------ Potential at left wall /mV = 28.5952129 Potential at right wall /mV = -28.6816154 ________________________________________________________________________ Capacitance of left DL = 0.0629087892 Capacitance of right DL = 0.0627192784 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 34.9708884 Capacitance of right DL [F/m2] = 34.8655396 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.91366242 Adsorption of ion 1 on right wall = -4.57994372 Adsorption of ion 2 on left wall = -4.92216126 Adsorption of ion 2 on right wall = 7.00790541 ------------------------------------------------------------------------ net charge in left DL = -11.8358237 14.9935481 net charge in right DL = 11.5878491 -14.9935481 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.461109163 Relative adsorption of ion 1 on right wall = -0.305460968 Relative adsorption of ion 2 on left wall = -0.328285288 Relative adsorption of ion 2 on right wall = 0.467394732 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00894538978 Right electrode charge = -0.00894538978 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99194 Bulk concentration of Na = 0.99293 ________________________________________________________________________ Average electrode charge 1 = 0.00782989643 Average electrode charge 2 = -0.00782989643 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389300 -0.574699 -0.559505 ________________________________________________________________________ Electrode charge exchange: 0.063852969 Move Jump Cl: 0.93486 0.37022 Na: 0.93445 0.37006 ________________________________________________________________________ Create NaCl : 214924. / 584416. = 0.36776 Destroy NaCl : 214921. / 584695. = 0.36758 ________________________________________________________________________ Potential at left wall /kT = 1.10202289 Potential at right wall /kT = -1.1074142 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4882166 Potential at right wall /mV = -28.6275863 ________________________________________________________________________ Capacitance of left DL = 0.0565196293 Capacitance of right DL = 0.0562444708 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.1022324 Capacitance of right DL [F/m2] = 34.9313417 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.82065792 Adsorption of ion 1 on right wall = -4.55400447 Adsorption of ion 2 on left wall = -5.04805248 Adsorption of ion 2 on right wall = 7.02389794 ------------------------------------------------------------------------ net charge in left DL = -11.8687104 13.4203649 net charge in right DL = 11.5779024 -13.4203649 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.508231928 Relative adsorption of ion 1 on right wall = -0.339335369 Relative adsorption of ion 2 on left wall = -0.376148676 Relative adsorption of ion 2 on right wall = 0.523376078 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 4 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00774300551 Right electrode charge = -0.00774300551 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 0.99219 Bulk concentration of Na = 0.99292 ________________________________________________________________________ Average electrode charge 1 = 0.00782077347 Average electrode charge 2 = -0.00782077347 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.404494 -15.389553 -0.574699 -0.559757 ________________________________________________________________________ Electrode charge exchange: 0.0638163978 Move Jump Cl: 0.93487 0.37008 Na: 0.93446 0.37015 ________________________________________________________________________ Create NaCl : 220535. / 599438. = 0.36790 Destroy NaCl : 220525. / 599694. = 0.36773 ________________________________________________________________________ Potential at left wall /kT = 1.10222992 Potential at right wall /kT = -1.10873638 ------------------------------------------------------------------------ Potential at left wall /mV = 28.4935684 Potential at right wall /mV = -28.661766 ________________________________________________________________________ Capacitance of left DL = 0.0489134195 Capacitance of right DL = 0.048626378 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.0956393 Capacitance of right DL [F/m2] = 34.8896855 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.82798385 Adsorption of ion 1 on right wall = -4.62889532 Adsorption of ion 2 on left wall = -4.98971415 Adsorption of ion 2 on right wall = 6.97558418 ------------------------------------------------------------------------ net charge in left DL = -11.817698 11.616482 net charge in right DL = 11.6044795 -11.616482 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.587784137 Relative adsorption of ion 1 on right wall = -0.39847652 Relative adsorption of ion 2 on left wall = -0.429537459 Relative adsorption of ion 2 on right wall = 0.60049025 ________________________________________________________________________ End of iteration 4 ======================================================================== 1 nspec = 2 max = 6 Total cation conc = 1. tomv = 0.0258508392 Volts ----------------------------------------- I work in real units T* = 0.143618156 q* = 2.63873226 dsi = 1.E-10 ----------------------------------------- zl = 62.9187652 starting xl = 62.9187652 ----------------------------------------- cation mole fraction : 2 1. N( 2) = 300 net charge on left wall /e = 247.084729 net charge on right wall /e = -247.084729 net charge on walls /e (starting) = 0. Initial sigma = 0.164695165 net charge on walls = 0. N( 1) = 300 ----------------------------------------- nimax = 300 max = 2000 ntot = 600 max = 12000 ntry = 600 max = 12000 ----------------------------------------- vgc = 1 2.36473738E+11 Cl conc = 1. ----------------------------------------- iter = 5 1 1. 0.992921252 1 -15.4044941 -15.3895527 1 -1.06 -0.559757359 Making initial configuration Initial configuration made ________________________________________ ________________________________________ Start equilibration Start simulation ######################################################################## --- Save ----, Iteration: 5 ---- Step: 5------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00835083711 Right electrode charge = -0.00835083711 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00144 Bulk concentration of Na = 0.99932 ________________________________________________________________________ Average electrode charge 1 = 0.00990110888 Average electrode charge 2 = -0.00990110888 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.390317 -0.559757 -0.560521 ________________________________________________________________________ Electrode charge exchange: 0.0638271923 Move Jump Cl: 0.93305 0.37504 Na: 0.93153 0.36861 ________________________________________________________________________ Create NaCl : 5527. / 14881. = 0.37141 Destroy NaCl : 5516. / 14995. = 0.36786 ________________________________________________________________________ Potential at left wall /kT = 0.848215475 Potential at right wall /kT = -0.778331624 ------------------------------------------------------------------------ Potential at left wall /mV = 21.9270819 Potential at right wall /mV = -20.1205257 ________________________________________________________________________ Capacitance of left DL = 0.0685511071 Capacitance of right DL = 0.0747060869 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 45.6057038 Capacitance of right DL [F/m2] = 49.7004908 ________________________________________________________________________ Adsorption of ion 1 on left wall = 2.64942647 Adsorption of ion 1 on right wall = -0.777923531 Adsorption of ion 2 on left wall = -10.4949579 Adsorption of ion 2 on right wall = 12.9861921 ------------------------------------------------------------------------ net charge in left DL = -13.1443844 12.5283843 net charge in right DL = 13.7641156 -12.5283843 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.211473914 Relative adsorption of ion 1 on right wall = -0.0620928853 Relative adsorption of ion 2 on left wall = -0.83769444 Relative adsorption of ion 2 on right wall = 1.03654165 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 10------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00916206444 Right electrode charge = -0.00916206444 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01147 Bulk concentration of Na = 1.01079 ________________________________________________________________________ Average electrode charge 1 = 0.00915207507 Average electrode charge 2 = -0.00915207507 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.411693 -0.559757 -0.581897 ________________________________________________________________________ Electrode charge exchange: 0.0638466612 Move Jump Cl: 0.93544 0.36965 Na: 0.93107 0.37142 ________________________________________________________________________ Create NaCl : 11039. / 29987. = 0.36813 Destroy NaCl : 11037. / 30041. = 0.36740 ________________________________________________________________________ Potential at left wall /kT = 1.32417197 Potential at right wall /kT = -1.34664748 ------------------------------------------------------------------------ Potential at left wall /mV = 34.2309566 Potential at right wall /mV = -34.8119675 ________________________________________________________________________ Capacitance of left DL = 0.0481769836 Capacitance of right DL = 0.047372911 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 29.2133232 Capacitance of right DL [F/m2] = 28.7257536 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24957847 Adsorption of ion 1 on right wall = -4.38842153 Adsorption of ion 2 on left wall = -6.92567426 Adsorption of ion 2 on right wall = 8.98564241 ------------------------------------------------------------------------ net charge in left DL = -13.1752527 13.7454321 net charge in right DL = 13.3740639 -13.7454321 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.454665843 Relative adsorption of ion 1 on right wall = -0.319263992 Relative adsorption of ion 2 on left wall = -0.503852786 Relative adsorption of ion 2 on right wall = 0.653718438 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 15------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00843269165 Right electrode charge = -0.00843269165 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00646 Bulk concentration of Na = 1.00769 ________________________________________________________________________ Average electrode charge 1 = 0.00877356754 Average electrode charge 2 = -0.00877356754 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403652 -0.559757 -0.573856 ________________________________________________________________________ Electrode charge exchange: 0.063817164 Move Jump Cl: 0.93466 0.36938 Na: 0.93338 0.36972 ________________________________________________________________________ Create NaCl : 16624. / 45013. = 0.36932 Destroy NaCl : 16633. / 45104. = 0.36877 ________________________________________________________________________ Potential at left wall /kT = 1.02597881 Potential at right wall /kT = -1.07281541 ------------------------------------------------------------------------ Potential at left wall /mV = 26.5224133 Potential at right wall /mV = -27.7331785 ________________________________________________________________________ Capacitance of left DL = 0.0572293061 Capacitance of right DL = 0.0547308095 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.7039596 Capacitance of right DL [F/m2] = 36.0578936 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.6909783 Adsorption of ion 1 on right wall = -3.66279948 Adsorption of ion 2 on left wall = -6.19227631 Adsorption of ion 2 on right wall = 8.8582348 ------------------------------------------------------------------------ net charge in left DL = -12.8832546 12.651187 net charge in right DL = 12.5210343 -12.651187 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.528881463 Relative adsorption of ion 1 on right wall = -0.289522199 Relative adsorption of ion 2 on left wall = -0.48946208 Relative adsorption of ion 2 on right wall = 0.700190013 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 20------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00826065264 Right electrode charge = -0.00826065264 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00368 Bulk concentration of Na = 1.00460 ________________________________________________________________________ Average electrode charge 1 = 0.00852472801 Average electrode charge 2 = -0.00852472801 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397814 -0.559757 -0.568019 ________________________________________________________________________ Electrode charge exchange: 0.0638040023 Move Jump Cl: 0.93532 0.36926 Na: 0.93441 0.36995 ________________________________________________________________________ Create NaCl : 22090. / 59953. = 0.36846 Destroy NaCl : 22079. / 60135. = 0.36716 ________________________________________________________________________ Potential at left wall /kT = 1.07130959 Potential at right wall /kT = -1.10237896 ------------------------------------------------------------------------ Potential at left wall /mV = 27.694252 Potential at right wall /mV = -28.4974212 ________________________________________________________________________ Capacitance of left DL = 0.0536895816 Capacitance of right DL = 0.0521763985 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1085759 Capacitance of right DL [F/m2] = 35.0908945 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.79296237 Adsorption of ion 1 on right wall = -3.86770847 Adsorption of ion 2 on left wall = -5.80631619 Adsorption of ion 2 on right wall = 8.45957131 ------------------------------------------------------------------------ net charge in left DL = -12.5992786 12.3930846 net charge in right DL = 12.3272798 -12.3930846 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.54812523 Relative adsorption of ion 1 on right wall = -0.31208602 Relative adsorption of ion 2 on left wall = -0.46851259 Relative adsorption of ion 2 on right wall = 0.682604175 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 25------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0075184307 Right electrode charge = -0.0075184307 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00572 Bulk concentration of Na = 1.00693 ________________________________________________________________________ Average electrode charge 1 = 0.00836171782 Average electrode charge 2 = -0.00836171782 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402166 -0.559757 -0.572371 ________________________________________________________________________ Electrode charge exchange: 0.0638401963 Move Jump Cl: 0.93427 0.36959 Na: 0.93396 0.36979 ________________________________________________________________________ Create NaCl : 27499. / 74964. = 0.36683 Destroy NaCl : 27498. / 75027. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.02270311 Potential at right wall /kT = -1.06227478 ------------------------------------------------------------------------ Potential at left wall /mV = 26.4377338 Potential at right wall /mV = -27.4606944 ________________________________________________________________________ Capacitance of left DL = 0.0511880134 Capacitance of right DL = 0.0492811671 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.8247247 Capacitance of right DL [F/m2] = 36.4156851 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44666741 Adsorption of ion 1 on right wall = -4.33918592 Adsorption of ion 2 on left wall = -5.97721965 Adsorption of ion 2 on right wall = 7.73178035 ------------------------------------------------------------------------ net charge in left DL = -12.4238871 11.2795625 net charge in right DL = 12.0709663 -11.2795625 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.571535234 Relative adsorption of ion 1 on right wall = -0.384694523 Relative adsorption of ion 2 on left wall = -0.529915911 Relative adsorption of ion 2 on right wall = 0.685468105 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 30------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00678947898 Right electrode charge = -0.00678947898 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00555 Bulk concentration of Na = 1.00636 ________________________________________________________________________ Average electrode charge 1 = 0.0081651354 Average electrode charge 2 = -0.0081651354 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.401426 -0.559757 -0.571631 ________________________________________________________________________ Electrode charge exchange: 0.0638173061 Move Jump Cl: 0.93369 0.36896 Na: 0.93369 0.36997 ________________________________________________________________________ Create NaCl : 32999. / 89854. = 0.36725 Destroy NaCl : 33019. / 90031. = 0.36675 ________________________________________________________________________ Potential at left wall /kT = 0.927516753 Potential at right wall /kT = -0.959503218 ------------------------------------------------------------------------ Potential at left wall /mV = 23.9770864 Potential at right wall /mV = -24.8039634 ________________________________________________________________________ Capacitance of left DL = 0.0509689091 Capacitance of right DL = 0.0492697848 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 41.7064852 Capacitance of right DL [F/m2] = 40.3161376 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.31987969 Adsorption of ion 1 on right wall = -4.5077842 Adsorption of ion 2 on left wall = -5.72726541 Adsorption of ion 2 on right wall = 7.30374848 ------------------------------------------------------------------------ net charge in left DL = -12.0471451 10.1859491 net charge in right DL = 11.8115327 -10.1859491 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.620450741 Relative adsorption of ion 1 on right wall = -0.442549255 Relative adsorption of ion 2 on left wall = -0.562271158 Relative adsorption of ion 2 on right wall = 0.717041522 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 35------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00798033329 Right electrode charge = -0.00798033329 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00619 Bulk concentration of Na = 1.00590 ________________________________________________________________________ Average electrode charge 1 = 0.00819480377 Average electrode charge 2 = -0.00819480377 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.401604 -0.559757 -0.571809 ________________________________________________________________________ Electrode charge exchange: 0.0638184834 Move Jump Cl: 0.93398 0.36831 Na: 0.93399 0.36996 ________________________________________________________________________ Create NaCl : 38508. / 104664. = 0.36792 Destroy NaCl : 38506. / 104990. = 0.36676 ________________________________________________________________________ Potential at left wall /kT = 0.897055758 Potential at right wall /kT = -0.906243846 ------------------------------------------------------------------------ Potential at left wall /mV = 23.1896442 Potential at right wall /mV = -23.4271639 ________________________________________________________________________ Capacitance of left DL = 0.0619430012 Capacitance of right DL = 0.0613149829 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 43.1226971 Capacitance of right DL [F/m2] = 42.6854912 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.25543721 Adsorption of ion 1 on right wall = -5.00339612 Adsorption of ion 2 on left wall = -5.6751967 Adsorption of ion 2 on right wall = 7.01405092 ------------------------------------------------------------------------ net charge in left DL = -11.9306339 11.9725342 net charge in right DL = 12.017447 -11.9725342 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.522482303 Relative adsorption of ion 1 on right wall = -0.417906189 Relative adsorption of ion 2 on left wall = -0.474018 Relative adsorption of ion 2 on right wall = 0.585845138 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 40------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00819521272 Right electrode charge = -0.00819521272 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00609 Bulk concentration of Na = 1.00561 ________________________________________________________________________ Average electrode charge 1 = 0.00818567556 Average electrode charge 2 = -0.00818567556 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.401217 -0.559757 -0.571422 ________________________________________________________________________ Electrode charge exchange: 0.0638322327 Move Jump Cl: 0.93425 0.36791 Na: 0.93354 0.36984 ________________________________________________________________________ Create NaCl : 44096. / 119724. = 0.36831 Destroy NaCl : 44091. / 120123. = 0.36705 ________________________________________________________________________ Potential at left wall /kT = 0.807911735 Potential at right wall /kT = -0.82833549 ------------------------------------------------------------------------ Potential at left wall /mV = 20.8851963 Potential at right wall /mV = -21.4131676 ________________________________________________________________________ Capacitance of left DL = 0.0706296359 Capacitance of right DL = 0.0688881647 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 47.8808043 Capacitance of right DL [F/m2] = 46.700237 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.29740801 Adsorption of ion 1 on right wall = -4.64845657 Adsorption of ion 2 on left wall = -5.55639795 Adsorption of ion 2 on right wall = 7.34419997 ------------------------------------------------------------------------ net charge in left DL = -11.853806 12.2949081 net charge in right DL = 11.9926565 -12.2949081 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.512196429 Relative adsorption of ion 1 on right wall = -0.378079815 Relative adsorption of ion 2 on left wall = -0.451926758 Relative adsorption of ion 2 on right wall = 0.597336712 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 45------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00803276441 Right electrode charge = -0.00803276441 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00549 Bulk concentration of Na = 1.00517 ________________________________________________________________________ Average electrode charge 1 = 0.00814817558 Average electrode charge 2 = -0.00814817558 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400187 -0.559757 -0.570391 ________________________________________________________________________ Electrode charge exchange: 0.0638289489 Move Jump Cl: 0.93368 0.36770 Na: 0.93393 0.36939 ________________________________________________________________________ Create NaCl : 49625. / 134886. = 0.36790 Destroy NaCl : 49623. / 135051. = 0.36744 ________________________________________________________________________ Potential at left wall /kT = 0.887855529 Potential at right wall /kT = -0.901269226 ------------------------------------------------------------------------ Potential at left wall /mV = 22.9518105 Potential at right wall /mV = -23.2985658 ________________________________________________________________________ Capacitance of left DL = 0.0629960587 Capacitance of right DL = 0.0620584809 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 43.5695476 Capacitance of right DL [F/m2] = 42.9210968 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.31953941 Adsorption of ion 1 on right wall = -4.52169207 Adsorption of ion 2 on left wall = -5.57694954 Adsorption of ion 2 on right wall = 7.46837083 ------------------------------------------------------------------------ net charge in left DL = -11.896489 12.0511942 net charge in right DL = 11.9900629 -12.0511942 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.524391136 Relative adsorption of ion 1 on right wall = -0.375206971 Relative adsorption of ion 2 on left wall = -0.462771527 Relative adsorption of ion 2 on right wall = 0.619720395 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 50------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00583203831 Right electrode charge = -0.00583203831 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00720 Bulk concentration of Na = 1.00701 ________________________________________________________________________ Average electrode charge 1 = 0.00810210085 Average electrode charge 2 = -0.00810210085 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403707 -0.559757 -0.573912 ________________________________________________________________________ Electrode charge exchange: 0.063836163 Move Jump Cl: 0.93390 0.36796 Na: 0.93360 0.36893 ________________________________________________________________________ Create NaCl : 55157. / 149912. = 0.36793 Destroy NaCl : 55165. / 150018. = 0.36772 ________________________________________________________________________ Potential at left wall /kT = 0.873662166 Potential at right wall /kT = -0.884412822 ------------------------------------------------------------------------ Potential at left wall /mV = 22.5849002 Potential at right wall /mV = -22.8628136 ________________________________________________________________________ Capacitance of left DL = 0.0464801469 Capacitance of right DL = 0.0459151483 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 44.2773708 Capacitance of right DL [F/m2] = 43.7391485 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.96632405 Adsorption of ion 1 on right wall = -4.56981429 Adsorption of ion 2 on left wall = -5.88503028 Adsorption of ion 2 on right wall = 7.33717138 ------------------------------------------------------------------------ net charge in left DL = -11.8513543 8.74954408 net charge in right DL = 11.9069857 -8.74954408 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.681901135 Relative adsorption of ion 1 on right wall = -0.522291704 Relative adsorption of ion 2 on left wall = -0.672609936 Relative adsorption of ion 2 on right wall = 0.838577566 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 55------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0047540831 Right electrode charge = -0.0047540831 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01044 Bulk concentration of Na = 1.00971 ________________________________________________________________________ Average electrode charge 1 = 0.00805353059 Average electrode charge 2 = -0.00805353059 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.409599 -0.559757 -0.579803 ________________________________________________________________________ Electrode charge exchange: 0.0638346757 Move Jump Cl: 0.93367 0.36786 Na: 0.93378 0.36883 ________________________________________________________________________ Create NaCl : 60636. / 164918. = 0.36767 Destroy NaCl : 60646. / 165005. = 0.36754 ________________________________________________________________________ Potential at left wall /kT = 0.902390386 Potential at right wall /kT = -0.909360391 ------------------------------------------------------------------------ Potential at left wall /mV = 23.3275488 Potential at right wall /mV = -23.5077292 ________________________________________________________________________ Capacitance of left DL = 0.0366828408 Capacitance of right DL = 0.0364016767 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 42.8677702 Capacitance of right DL [F/m2] = 42.5392002 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.58045683 Adsorption of ion 1 on right wall = -4.81697044 Adsorption of ion 2 on left wall = -6.14859993 Adsorption of ion 2 on right wall = 7.12406977 ------------------------------------------------------------------------ net charge in left DL = -11.7290568 7.13233648 net charge in right DL = 11.9410402 -7.13233648 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.782416372 Relative adsorption of ion 1 on right wall = -0.67537061 Relative adsorption of ion 2 on left wall = -0.862073732 Relative adsorption of ion 2 on right wall = 0.998840952 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 60------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00646145128 Right electrode charge = -0.00646145128 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 315 -1.00 3.0000 1.5000 Na ion: 315 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01220 Bulk concentration of Na = 1.01152 ________________________________________________________________________ Average electrode charge 1 = 0.00802379284 Average electrode charge 2 = -0.00802379284 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.413129 -0.559757 -0.583333 ________________________________________________________________________ Electrode charge exchange: 0.0638343999 Move Jump Cl: 0.93353 0.36751 Na: 0.93379 0.36835 ________________________________________________________________________ Create NaCl : 66007. / 179886. = 0.36694 Destroy NaCl : 65992. / 179939. = 0.36675 ________________________________________________________________________ Potential at left wall /kT = 0.939156296 Potential at right wall /kT = -0.953447738 ------------------------------------------------------------------------ Potential at left wall /mV = 24.2779784 Potential at right wall /mV = -24.6474242 ________________________________________________________________________ Capacitance of left DL = 0.0479052215 Capacitance of right DL = 0.0471871594 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 41.189591 Capacitance of right DL [F/m2] = 40.572191 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.73380856 Adsorption of ion 1 on right wall = -5.24616644 Adsorption of ion 2 on left wall = -5.99620125 Adsorption of ion 2 on right wall = 6.68448486 ------------------------------------------------------------------------ net charge in left DL = -11.7300098 9.69382397 net charge in right DL = 11.9306513 -9.69382397 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.591490889 Relative adsorption of ion 1 on right wall = -0.541186477 Relative adsorption of ion 2 on left wall = -0.618558916 Relative adsorption of ion 2 on right wall = 0.689561197 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 65------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00836455985 Right electrode charge = -0.00836455985 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01138 Bulk concentration of Na = 1.01108 ________________________________________________________________________ Average electrode charge 1 = 0.00799724303 Average electrode charge 2 = -0.00799724303 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.411892 -0.559757 -0.582097 ________________________________________________________________________ Electrode charge exchange: 0.0637902731 Move Jump Cl: 0.93340 0.36768 Na: 0.93379 0.36828 ________________________________________________________________________ Create NaCl : 71499. / 194853. = 0.36694 Destroy NaCl : 71517. / 195116. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 0.994193347 Potential at right wall /kT = -1.00298799 ------------------------------------------------------------------------ Potential at left wall /mV = 25.7007323 Potential at right wall /mV = -25.9280812 ________________________________________________________________________ Capacitance of left DL = 0.0585818245 Capacitance of right DL = 0.0580681531 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 38.9093971 Capacitance of right DL [F/m2] = 38.5682222 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.90830409 Adsorption of ion 1 on right wall = -5.23734463 Adsorption of ion 2 on left wall = -5.88318267 Adsorption of ion 2 on right wall = 6.64198399 ------------------------------------------------------------------------ net charge in left DL = -11.7914868 12.5489719 net charge in right DL = 11.8793286 -12.5489719 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.47081977 Relative adsorption of ion 1 on right wall = -0.417352485 Relative adsorption of ion 2 on left wall = -0.4688179 Relative adsorption of ion 2 on right wall = 0.52928511 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 70------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0105284482 Right electrode charge = -0.0105284482 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01075 Bulk concentration of Na = 1.01038 ________________________________________________________________________ Average electrode charge 1 = 0.00797252555 Average electrode charge 2 = -0.00797252555 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.410569 -0.559757 -0.580773 ________________________________________________________________________ Electrode charge exchange: 0.0637618344 Move Jump Cl: 0.93367 0.36769 Na: 0.93388 0.36812 ________________________________________________________________________ Create NaCl : 77005. / 209988. = 0.36671 Destroy NaCl : 77012. / 210159. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 0.996360786 Potential at right wall /kT = -1.00191305 ------------------------------------------------------------------------ Potential at left wall /mV = 25.7567625 Potential at right wall /mV = -25.9002931 ________________________________________________________________________ Capacitance of left DL = 0.0735763755 Capacitance of right DL = 0.0731686402 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 38.8247553 Capacitance of right DL [F/m2] = 38.6096017 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.9227221 Adsorption of ion 1 on right wall = -5.14836956 Adsorption of ion 2 on left wall = -5.83007404 Adsorption of ion 2 on right wall = 6.71203192 ------------------------------------------------------------------------ net charge in left DL = -11.7527961 15.795356 net charge in right DL = 11.8604015 -15.795356 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.374966041 Relative adsorption of ion 1 on right wall = -0.325941977 Relative adsorption of ion 2 on left wall = -0.369100515 Relative adsorption of ion 2 on right wall = 0.424937045 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 75------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00511745804 Right electrode charge = -0.00511745804 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 314 -1.00 3.0000 1.5000 Na ion: 314 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01134 Bulk concentration of Na = 1.01118 ________________________________________________________________________ Average electrode charge 1 = 0.00805567273 Average electrode charge 2 = -0.00805567273 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.411942 -0.559757 -0.582147 ________________________________________________________________________ Electrode charge exchange: 0.0637446295 Move Jump Cl: 0.93362 0.36771 Na: 0.93382 0.36851 ________________________________________________________________________ Create NaCl : 82552. / 225254. = 0.36648 Destroy NaCl : 82538. / 225155. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.00386176 Potential at right wall /kT = -1.01190955 ------------------------------------------------------------------------ Potential at left wall /mV = 25.950669 Potential at right wall /mV = -26.158711 ________________________________________________________________________ Capacitance of left DL = 0.0354953147 Capacitance of right DL = 0.035213018 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 38.5346521 Capacitance of right DL [F/m2] = 38.2281833 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.71799536 Adsorption of ion 1 on right wall = -5.07156575 Adsorption of ion 2 on left wall = -6.19693633 Adsorption of ion 2 on right wall = 6.89018256 ------------------------------------------------------------------------ net charge in left DL = -11.9149317 7.67749152 net charge in right DL = 11.9617483 -7.67749152 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.744773907 Relative adsorption of ion 1 on right wall = -0.660575885 Relative adsorption of ion 2 on left wall = -0.807156389 Relative adsorption of ion 2 on right wall = 0.897452318 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 80------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00878308123 Right electrode charge = -0.00878308123 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01078 Bulk concentration of Na = 1.01076 ________________________________________________________________________ Average electrode charge 1 = 0.00803601049 Average electrode charge 2 = -0.00803601049 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.410971 -0.559757 -0.581176 ________________________________________________________________________ Electrode charge exchange: 0.0637456643 Move Jump Cl: 0.93375 0.36767 Na: 0.93361 0.36840 ________________________________________________________________________ Create NaCl : 88090. / 240175. = 0.36677 Destroy NaCl : 88105. / 240257. = 0.36671 ________________________________________________________________________ Potential at left wall /kT = 1.03813314 Potential at right wall /kT = -1.04178438 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8366129 Potential at right wall /mV = -26.9310005 ________________________________________________________________________ Capacitance of left DL = 0.0589093861 Capacitance of right DL = 0.0587029208 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.2625266 Capacitance of right DL [F/m2] = 37.1319291 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.83310922 Adsorption of ion 1 on right wall = -5.04687307 Adsorption of ion 2 on left wall = -6.10126725 Adsorption of ion 2 on right wall = 6.89248588 ------------------------------------------------------------------------ net charge in left DL = -11.9343765 13.1768607 net charge in right DL = 11.9393589 -13.1768607 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.442678219 Relative adsorption of ion 1 on right wall = -0.383010278 Relative adsorption of ion 2 on left wall = -0.463028895 Relative adsorption of ion 2 on right wall = 0.52307496 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 85------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00797391945 Right electrode charge = -0.00797391945 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.01061 Bulk concentration of Na = 1.01040 ________________________________________________________________________ Average electrode charge 1 = 0.00801750783 Average electrode charge 2 = -0.00801750783 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.410457 -0.559757 -0.580661 ________________________________________________________________________ Electrode charge exchange: 0.0637445927 Move Jump Cl: 0.93367 0.36783 Na: 0.93375 0.36823 ________________________________________________________________________ Create NaCl : 93598. / 255162. = 0.36682 Destroy NaCl : 93616. / 255253. = 0.36676 ________________________________________________________________________ Potential at left wall /kT = 1.03214256 Potential at right wall /kT = -1.03473207 ------------------------------------------------------------------------ Potential at left wall /mV = 26.6817513 Potential at right wall /mV = -26.7486925 ________________________________________________________________________ Capacitance of left DL = 0.0537926341 Capacitance of right DL = 0.0536580129 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.4787992 Capacitance of right DL [F/m2] = 37.3850049 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.78425758 Adsorption of ion 1 on right wall = -5.07584144 Adsorption of ion 2 on left wall = -6.09480026 Adsorption of ion 2 on right wall = 6.86551837 ------------------------------------------------------------------------ net charge in left DL = -11.8790578 11.9629118 net charge in right DL = 11.9413598 -11.9629118 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.483515861 Relative adsorption of ion 1 on right wall = -0.424298159 Relative adsorption of ion 2 on left wall = -0.509474648 Relative adsorption of ion 2 on right wall = 0.573900276 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 90------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806252941 Right electrode charge = -0.00806252941 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00885 Bulk concentration of Na = 1.00865 ________________________________________________________________________ Average electrode charge 1 = 0.00800847494 Average electrode charge 2 = -0.00800847494 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.406972 -0.559757 -0.577176 ________________________________________________________________________ Electrode charge exchange: 0.063752115 Move Jump Cl: 0.93415 0.36772 Na: 0.93360 0.36832 ________________________________________________________________________ Create NaCl : 99165. / 270050. = 0.36721 Destroy NaCl : 99186. / 270376. = 0.36684 ________________________________________________________________________ Potential at left wall /kT = 1.03721001 Potential at right wall /kT = -1.04254814 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8127492 Potential at right wall /mV = -26.9507443 ________________________________________________________________________ Capacitance of left DL = 0.0541246705 Capacitance of right DL = 0.0538475375 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.2956907 Capacitance of right DL [F/m2] = 37.1047266 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.88641771 Adsorption of ion 1 on right wall = -4.87317766 Adsorption of ion 2 on left wall = -5.988473 Adsorption of ion 2 on right wall = 7.06168903 ------------------------------------------------------------------------ net charge in left DL = -11.8748907 12.0958493 net charge in right DL = 11.9348667 -12.0958493 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.486647739 Relative adsorption of ion 1 on right wall = -0.402880157 Relative adsorption of ion 2 on left wall = -0.495084955 Relative adsorption of ion 2 on right wall = 0.583810931 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 95------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00815840573 Right electrode charge = -0.00815840573 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00933 Bulk concentration of Na = 1.00907 ________________________________________________________________________ Average electrode charge 1 = 0.00799185969 Average electrode charge 2 = -0.00799185969 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.407867 -0.559757 -0.578072 ________________________________________________________________________ Electrode charge exchange: 0.063747399 Move Jump Cl: 0.93409 0.36804 Na: 0.93353 0.36853 ________________________________________________________________________ Create NaCl : 104633. / 285128. = 0.36697 Destroy NaCl : 104621. / 285150. = 0.36690 ________________________________________________________________________ Potential at left wall /kT = 1.04297123 Potential at right wall /kT = -1.04769224 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9616816 Potential at right wall /mV = -27.0837236 ________________________________________________________________________ Capacitance of left DL = 0.054465767 Capacitance of right DL = 0.0542203387 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0896747 Capacitance of right DL [F/m2] = 36.9225449 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.79984681 Adsorption of ion 1 on right wall = -4.99248915 Adsorption of ion 2 on left wall = -6.05021564 Adsorption of ion 2 on right wall = 6.93229576 ------------------------------------------------------------------------ net charge in left DL = -11.8500625 12.2396882 net charge in right DL = 11.9247849 -12.2396882 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.473855764 Relative adsorption of ion 1 on right wall = -0.407893491 Relative adsorption of ion 2 on left wall = -0.494311255 Relative adsorption of ion 2 on right wall = 0.56637846 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00767613633 Right electrode charge = -0.00767613633 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00937 Bulk concentration of Na = 1.00925 ________________________________________________________________________ Average electrode charge 1 = 0.00799059225 Average electrode charge 2 = -0.00799059225 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.408093 -0.559757 -0.578298 ________________________________________________________________________ Electrode charge exchange: 0.0637308724 Move Jump Cl: 0.93425 0.36806 Na: 0.93351 0.36837 ________________________________________________________________________ Create NaCl : 110068. / 300143. = 0.36672 Destroy NaCl : 110067. / 300052. = 0.36683 ________________________________________________________________________ Potential at left wall /kT = 1.04264946 Potential at right wall /kT = -1.03890042 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9533635 Potential at right wall /mV = -26.8564478 ________________________________________________________________________ Capacitance of left DL = 0.0512619368 Capacitance of right DL = 0.0514469234 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.101121 Capacitance of right DL [F/m2] = 37.2350062 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.79524993 Adsorption of ion 1 on right wall = -4.90225923 Adsorption of ion 2 on left wall = -6.07075043 Adsorption of ion 2 on right wall = 6.99918874 ------------------------------------------------------------------------ net charge in left DL = -11.8660004 11.5161612 net charge in right DL = 11.901448 -11.5161612 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.503227581 Relative adsorption of ion 1 on right wall = -0.425685187 Relative adsorption of ion 2 on left wall = -0.527150526 Relative adsorption of ion 2 on right wall = 0.607770995 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0104663188 Right electrode charge = -0.0104663188 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00980 Bulk concentration of Na = 1.00962 ________________________________________________________________________ Average electrode charge 1 = 0.00796994326 Average electrode charge 2 = -0.00796994326 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.408878 -0.559757 -0.579083 ________________________________________________________________________ Electrode charge exchange: 0.0637525215 Move Jump Cl: 0.93437 0.36801 Na: 0.93346 0.36834 ________________________________________________________________________ Create NaCl : 115553. / 315208. = 0.36659 Destroy NaCl : 115553. / 314951. = 0.36689 ________________________________________________________________________ Potential at left wall /kT = 1.04057206 Potential at right wall /kT = -1.03739007 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8996609 Potential at right wall /mV = -26.8174038 ________________________________________________________________________ Capacitance of left DL = 0.0700345679 Capacitance of right DL = 0.0702493853 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1751898 Capacitance of right DL [F/m2] = 37.2892174 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.90324498 Adsorption of ion 1 on right wall = -5.10723994 Adsorption of ion 2 on left wall = -5.92762956 Adsorption of ion 2 on right wall = 6.77575378 ------------------------------------------------------------------------ net charge in left DL = -11.8308745 15.7021462 net charge in right DL = 11.8829937 -15.7021462 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.375951473 Relative adsorption of ion 1 on right wall = -0.325257445 Relative adsorption of ion 2 on left wall = -0.377504418 Relative adsorption of ion 2 on right wall = 0.431517686 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00640521665 Right electrode charge = -0.00640521665 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00936 Bulk concentration of Na = 1.00931 ________________________________________________________________________ Average electrode charge 1 = 0.00794424594 Average electrode charge 2 = -0.00794424594 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.408134 -0.559757 -0.578339 ________________________________________________________________________ Electrode charge exchange: 0.0637417468 Move Jump Cl: 0.93441 0.36837 Na: 0.93364 0.36840 ________________________________________________________________________ Create NaCl : 121077. / 330238. = 0.36664 Destroy NaCl : 121097. / 329905. = 0.36707 ________________________________________________________________________ Potential at left wall /kT = 1.00581508 Potential at right wall /kT = -1.00167146 ------------------------------------------------------------------------ Potential at left wall /mV = 26.0011639 Potential at right wall /mV = -25.894048 ________________________________________________________________________ Capacitance of left DL = 0.0443410869 Capacitance of right DL = 0.0445245127 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 38.4598169 Capacitance of right DL [F/m2] = 38.6189136 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.06214055 Adsorption of ion 1 on right wall = -5.1416943 Adsorption of ion 2 on left wall = -5.72718838 Adsorption of ion 2 on right wall = 6.66359041 ------------------------------------------------------------------------ net charge in left DL = -11.7893289 9.6094577 net charge in right DL = 11.8052847 -9.6094577 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.630851474 Relative adsorption of ion 1 on right wall = -0.535066021 Relative adsorption of ion 2 on left wall = -0.595994962 Relative adsorption of ion 2 on right wall = 0.693440839 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00874166831 Right electrode charge = -0.00874166831 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00846 Bulk concentration of Na = 1.00863 ________________________________________________________________________ Average electrode charge 1 = 0.00795266557 Average electrode charge 2 = -0.00795266557 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.406570 -0.559757 -0.576775 ________________________________________________________________________ Electrode charge exchange: 0.0637563771 Move Jump Cl: 0.93451 0.36848 Na: 0.93382 0.36843 ________________________________________________________________________ Create NaCl : 126569. / 345363. = 0.36648 Destroy NaCl : 126572. / 344935. = 0.36694 ________________________________________________________________________ Potential at left wall /kT = 1.01952989 Potential at right wall /kT = -1.01277689 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3557032 Potential at right wall /mV = -26.1811324 ________________________________________________________________________ Capacitance of left DL = 0.0597014685 Capacitance of right DL = 0.0600995465 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.9424518 Capacitance of right DL [F/m2] = 38.1954448 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.06174258 Adsorption of ion 1 on right wall = -4.99580669 Adsorption of ion 2 on left wall = -5.78400727 Adsorption of ion 2 on right wall = 6.79782896 ------------------------------------------------------------------------ net charge in left DL = -11.8457499 13.1147308 net charge in right DL = 11.7936357 -13.1147308 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.462208694 Relative adsorption of ion 1 on right wall = -0.380930938 Relative adsorption of ion 2 on left wall = -0.441031339 Relative adsorption of ion 2 on right wall = 0.518335381 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00802028844 Right electrode charge = -0.00802028844 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00930 Bulk concentration of Na = 1.00936 ________________________________________________________________________ Average electrode charge 1 = 0.00793685445 Average electrode charge 2 = -0.00793685445 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.408118 -0.559757 -0.578322 ________________________________________________________________________ Electrode charge exchange: 0.063749137 Move Jump Cl: 0.93455 0.36816 Na: 0.93394 0.36867 ________________________________________________________________________ Create NaCl : 131955. / 360187. = 0.36635 Destroy NaCl : 131957. / 359880. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.00271814 Potential at right wall /kT = -1.00158471 ------------------------------------------------------------------------ Potential at left wall /mV = 25.9211055 Potential at right wall /mV = -25.8918053 ________________________________________________________________________ Capacitance of left DL = 0.055693148 Capacitance of right DL = 0.0557561726 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 38.5786016 Capacitance of right DL [F/m2] = 38.6222586 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.01932706 Adsorption of ion 1 on right wall = -5.12201878 Adsorption of ion 2 on left wall = -5.77770947 Adsorption of ion 2 on right wall = 6.65725164 ------------------------------------------------------------------------ net charge in left DL = -11.7970365 12.0324771 net charge in right DL = 11.7792704 -12.0324771 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.500256682 Relative adsorption of ion 1 on right wall = -0.425682821 Relative adsorption of ion 2 on left wall = -0.48017623 Relative adsorption of ion 2 on right wall = 0.553273578 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.007592534 Right electrode charge = -0.007592534 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00904 Bulk concentration of Na = 1.00922 ________________________________________________________________________ Average electrode charge 1 = 0.00789824243 Average electrode charge 2 = -0.00789824243 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.407726 -0.559757 -0.577931 ________________________________________________________________________ Electrode charge exchange: 0.0637303694 Move Jump Cl: 0.93441 0.36820 Na: 0.93377 0.36867 ________________________________________________________________________ Create NaCl : 137425. / 375088. = 0.36638 Destroy NaCl : 137440. / 374792. = 0.36671 ________________________________________________________________________ Potential at left wall /kT = 0.976772917 Potential at right wall /kT = -0.969687814 ------------------------------------------------------------------------ Potential at left wall /mV = 25.2503996 Potential at right wall /mV = -25.0672438 ________________________________________________________________________ Capacitance of left DL = 0.0541232402 Capacitance of right DL = 0.054518696 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 39.6033336 Capacitance of right DL [F/m2] = 39.8926986 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.99746178 Adsorption of ion 1 on right wall = -5.08202156 Adsorption of ion 2 on left wall = -5.74414791 Adsorption of ion 2 on right wall = 6.60758875 ------------------------------------------------------------------------ net charge in left DL = -11.7416097 11.3907364 net charge in right DL = 11.6896103 -11.3907364 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.526520989 Relative adsorption of ion 1 on right wall = -0.446153909 Relative adsorption of ion 2 on left wall = -0.504282403 Relative adsorption of ion 2 on right wall = 0.580084425 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0057767008 Right electrode charge = -0.0057767008 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00894 Bulk concentration of Na = 1.00911 ________________________________________________________________________ Average electrode charge 1 = 0.0078972489 Average electrode charge 2 = -0.0078972489 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.407530 -0.559757 -0.577734 ________________________________________________________________________ Electrode charge exchange: 0.0637412113 Move Jump Cl: 0.93454 0.36825 Na: 0.93381 0.36894 ________________________________________________________________________ Create NaCl : 142981. / 389945. = 0.36667 Destroy NaCl : 142987. / 389844. = 0.36678 ________________________________________________________________________ Potential at left wall /kT = 1.01894609 Potential at right wall /kT = -1.01480591 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3406116 Potential at right wall /mV = -26.2335845 ________________________________________________________________________ Capacitance of left DL = 0.0394747436 Capacitance of right DL = 0.0396357917 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.9641906 Capacitance of right DL [F/m2] = 38.1190759 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.89611146 Adsorption of ion 1 on right wall = -5.14688854 Adsorption of ion 2 on left wall = -5.87465724 Adsorption of ion 2 on right wall = 6.5737043 ------------------------------------------------------------------------ net charge in left DL = -11.7707687 8.6665237 net charge in right DL = 11.7205928 -8.6665237 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.680331776 Relative adsorption of ion 1 on right wall = -0.593881551 Relative adsorption of ion 2 on left wall = -0.677856248 Relative adsorption of ion 2 on right wall = 0.758516854 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00646877261 Right electrode charge = -0.00646877261 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00933 Bulk concentration of Na = 1.00947 ________________________________________________________________________ Average electrode charge 1 = 0.00789600667 Average electrode charge 2 = -0.00789600667 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.408266 -0.559757 -0.578470 ________________________________________________________________________ Electrode charge exchange: 0.0637746561 Move Jump Cl: 0.93451 0.36848 Na: 0.93371 0.36908 ________________________________________________________________________ Create NaCl : 148481. / 404979. = 0.36664 Destroy NaCl : 148486. / 404863. = 0.36676 ________________________________________________________________________ Potential at left wall /kT = 1.00474579 Potential at right wall /kT = -1.00636245 ------------------------------------------------------------------------ Potential at left wall /mV = 25.9735219 Potential at right wall /mV = -26.0153138 ________________________________________________________________________ Capacitance of left DL = 0.0448287203 Capacitance of right DL = 0.044756706 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 38.5007471 Capacitance of right DL [F/m2] = 38.4388983 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.80998591 Adsorption of ion 1 on right wall = -5.13869989 Adsorption of ion 2 on left wall = -5.94777488 Adsorption of ion 2 on right wall = 6.57834178 ------------------------------------------------------------------------ net charge in left DL = -11.7577608 9.70480784 net charge in right DL = 11.7170417 -9.70480784 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.598670887 Relative adsorption of ion 1 on right wall = -0.529500427 Relative adsorption of ion 2 on left wall = -0.612868898 Relative adsorption of ion 2 on right wall = 0.67784359 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0135255723 Right electrode charge = -0.0135255723 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00858 Bulk concentration of Na = 1.00888 ________________________________________________________________________ Average electrode charge 1 = 0.00791609134 Average electrode charge 2 = -0.00791609134 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.406939 -0.559757 -0.577143 ________________________________________________________________________ Electrode charge exchange: 0.0637513041 Move Jump Cl: 0.93460 0.36855 Na: 0.93368 0.36896 ________________________________________________________________________ Create NaCl : 153939. / 419857. = 0.36665 Destroy NaCl : 153932. / 419889. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.02628965 Potential at right wall /kT = -1.0221261 ------------------------------------------------------------------------ Potential at left wall /mV = 26.5304486 Potential at right wall /mV = -26.4228175 ________________________________________________________________________ Capacitance of left DL = 0.0917648492 Capacitance of right DL = 0.0921386454 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.6925402 Capacitance of right DL [F/m2] = 37.8460775 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.87278276 Adsorption of ion 1 on right wall = -5.05978807 Adsorption of ion 2 on left wall = -5.95084435 Adsorption of ion 2 on right wall = 6.6736872 ------------------------------------------------------------------------ net charge in left DL = -11.8236271 20.2918061 net charge in right DL = 11.7334753 -20.2918061 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.289416463 Relative adsorption of ion 1 on right wall = -0.249351292 Relative adsorption of ion 2 on left wall = -0.293263414 Relative adsorption of ion 2 on right wall = 0.328885815 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0062148711 Right electrode charge = -0.0062148711 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00838 Bulk concentration of Na = 1.00898 ________________________________________________________________________ Average electrode charge 1 = 0.00795480098 Average electrode charge 2 = -0.00795480098 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.406836 -0.559757 -0.577041 ________________________________________________________________________ Electrode charge exchange: 0.0637480914 Move Jump Cl: 0.93458 0.36884 Na: 0.93342 0.36889 ________________________________________________________________________ Create NaCl : 159413. / 434992. = 0.36647 Destroy NaCl : 159441. / 435070. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.01398433 Potential at right wall /kT = -1.00754142 ------------------------------------------------------------------------ Potential at left wall /mV = 26.2123458 Potential at right wall /mV = -26.0457914 ________________________________________________________________________ Capacitance of left DL = 0.0426767694 Capacitance of right DL = 0.0429496735 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 38.1499622 Capacitance of right DL [F/m2] = 38.3939189 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.96350108 Adsorption of ion 1 on right wall = -5.02618397 Adsorption of ion 2 on left wall = -5.95269766 Adsorption of ion 2 on right wall = 6.71215061 ------------------------------------------------------------------------ net charge in left DL = -11.9161987 9.32389084 net charge in right DL = 11.7383346 -9.32389084 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.639593619 Relative adsorption of ion 1 on right wall = -0.539065081 Relative adsorption of ion 2 on left wall = -0.638434937 Relative adsorption of ion 2 on right wall = 0.719887301 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00574035014 Right electrode charge = -0.00574035014 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 267 -1.00 3.0000 1.5000 Na ion: 267 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00797 Bulk concentration of Na = 1.00854 ________________________________________________________________________ Average electrode charge 1 = 0.00794171966 Average electrode charge 2 = -0.00794171966 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.405999 -0.559757 -0.576203 ________________________________________________________________________ Electrode charge exchange: 0.0637910378 Move Jump Cl: 0.93451 0.36890 Na: 0.93347 0.36873 ________________________________________________________________________ Create NaCl : 164971. / 449939. = 0.36665 Destroy NaCl : 165004. / 450147. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.00648571 Potential at right wall /kT = -0.998967966 ------------------------------------------------------------------------ Potential at left wall /mV = 26.0185002 Potential at right wall /mV = -25.8241602 ________________________________________________________________________ Capacitance of left DL = 0.0397119692 Capacitance of right DL = 0.0400108221 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 38.4341907 Capacitance of right DL [F/m2] = 38.7234276 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.90313639 Adsorption of ion 1 on right wall = -5.06333472 Adsorption of ion 2 on left wall = -5.98505876 Adsorption of ion 2 on right wall = 6.65640346 ------------------------------------------------------------------------ net charge in left DL = -11.8881952 8.61198845 net charge in right DL = 11.7197382 -8.61198845 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.685455679 Relative adsorption of ion 1 on right wall = -0.58794026 Relative adsorption of ion 2 on left wall = -0.694968276 Relative adsorption of ion 2 on right wall = 0.772922943 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00766712998 Right electrode charge = -0.00766712998 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00746 Bulk concentration of Na = 1.00794 ________________________________________________________________________ Average electrode charge 1 = 0.00791759043 Average electrode charge 2 = -0.00791759043 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.404895 -0.559757 -0.575099 ________________________________________________________________________ Electrode charge exchange: 0.0637606276 Move Jump Cl: 0.93446 0.36893 Na: 0.93344 0.36878 ________________________________________________________________________ Create NaCl : 170448. / 464926. = 0.36661 Destroy NaCl : 170460. / 465210. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.04942804 Potential at right wall /kT = -1.03712431 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1285956 Potential at right wall /mV = -26.8105337 ________________________________________________________________________ Capacitance of left DL = 0.050871063 Capacitance of right DL = 0.0514745626 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8614732 Capacitance of right DL [F/m2] = 37.2987726 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.86993165 Adsorption of ion 1 on right wall = -4.97588717 Adsorption of ion 2 on left wall = -6.00045283 Adsorption of ion 2 on right wall = 6.7528219 ------------------------------------------------------------------------ net charge in left DL = -11.8703845 11.5026494 net charge in right DL = 11.7287091 -11.5026494 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.510311274 Relative adsorption of ion 1 on right wall = -0.432586182 Relative adsorption of ion 2 on left wall = -0.521658328 Relative adsorption of ion 2 on right wall = 0.587066657 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0107986223 Right electrode charge = -0.0107986223 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00707 Bulk concentration of Na = 1.00761 ________________________________________________________________________ Average electrode charge 1 = 0.00793418544 Average electrode charge 2 = -0.00793418544 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.404180 -0.559757 -0.574385 ________________________________________________________________________ Electrode charge exchange: 0.0637521868 Move Jump Cl: 0.93457 0.36880 Na: 0.93348 0.36883 ________________________________________________________________________ Create NaCl : 175970. / 479871. = 0.36670 Destroy NaCl : 175975. / 480136. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.04973033 Potential at right wall /kT = -1.04271085 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1364101 Potential at right wall /mV = -26.9549504 ________________________________________________________________________ Capacitance of left DL = 0.0716277416 Capacitance of right DL = 0.0721099368 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8508582 Capacitance of right DL [F/m2] = 37.0989367 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.97584 Adsorption of ion 1 on right wall = -4.93336625 Adsorption of ion 2 on left wall = -5.93037949 Adsorption of ion 2 on right wall = 6.8140778 ------------------------------------------------------------------------ net charge in left DL = -11.9062195 16.2006861 net charge in right DL = 11.7474441 -16.2006861 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.368863389 Relative adsorption of ion 1 on right wall = -0.304515884 Relative adsorption of ion 2 on left wall = -0.366057304 Relative adsorption of ion 2 on right wall = 0.420604272 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00696776009 Right electrode charge = -0.00696776009 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00671 Bulk concentration of Na = 1.00726 ________________________________________________________________________ Average electrode charge 1 = 0.00793179278 Average electrode charge 2 = -0.00793179278 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403472 -0.559757 -0.573676 ________________________________________________________________________ Electrode charge exchange: 0.0637559483 Move Jump Cl: 0.93444 0.36886 Na: 0.93351 0.36883 ________________________________________________________________________ Create NaCl : 181521. / 494795. = 0.36686 Destroy NaCl : 181540. / 495307. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.0268353 Potential at right wall /kT = -1.01646106 ------------------------------------------------------------------------ Potential at left wall /mV = 26.5445542 Potential at right wall /mV = -26.2763714 ________________________________________________________________________ Capacitance of left DL = 0.0472479589 Capacitance of right DL = 0.0477301827 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.6725106 Capacitance of right DL [F/m2] = 38.0570051 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.99448205 Adsorption of ion 1 on right wall = -4.90982603 Adsorption of ion 2 on left wall = -5.89335591 Adsorption of ion 2 on right wall = 6.81518651 ------------------------------------------------------------------------ net charge in left DL = -11.887838 10.4534162 net charge in right DL = 11.7250125 -10.4534162 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.573447178 Relative adsorption of ion 1 on right wall = -0.469686265 Relative adsorption of ion 2 on left wall = -0.563773198 Relative adsorption of ion 2 on right wall = 0.651957824 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00811726077 Right electrode charge = -0.00811726077 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00652 Bulk concentration of Na = 1.00706 ________________________________________________________________________ Average electrode charge 1 = 0.00794549816 Average electrode charge 2 = -0.00794549816 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403085 -0.559757 -0.573290 ________________________________________________________________________ Electrode charge exchange: 0.0637514809 Move Jump Cl: 0.93438 0.36877 Na: 0.93358 0.36854 ________________________________________________________________________ Create NaCl : 187060. / 509760. = 0.36696 Destroy NaCl : 187073. / 510438. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.03397929 Potential at right wall /kT = -1.02481953 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7292323 Potential at right wall /mV = -26.4924449 ________________________________________________________________________ Capacitance of left DL = 0.0546623517 Capacitance of right DL = 0.0551509196 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.4122231 Capacitance of right DL [F/m2] = 37.7466106 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.0381437 Adsorption of ion 1 on right wall = -4.91075042 Adsorption of ion 2 on left wall = -5.87224648 Adsorption of ion 2 on right wall = 6.84392313 ------------------------------------------------------------------------ net charge in left DL = -11.9103902 12.1779603 net charge in right DL = 11.7546736 -12.1779603 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495825537 Relative adsorption of ion 1 on right wall = -0.403249009 Relative adsorption of ion 2 on left wall = -0.482202794 Relative adsorption of ion 2 on right wall = 0.561992565 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0094088436 Right electrode charge = -0.0094088436 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00640 Bulk concentration of Na = 1.00697 ________________________________________________________________________ Average electrode charge 1 = 0.00796356286 Average electrode charge 2 = -0.00796356286 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402884 -0.559757 -0.573088 ________________________________________________________________________ Electrode charge exchange: 0.0637501922 Move Jump Cl: 0.93447 0.36866 Na: 0.93361 0.36866 ________________________________________________________________________ Create NaCl : 192578. / 524749. = 0.36699 Destroy NaCl : 192594. / 525517. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.04081782 Potential at right wall /kT = -1.03222911 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9060142 Potential at right wall /mV = -26.6839888 ________________________________________________________________________ Capacitance of left DL = 0.0629436873 Capacitance of right DL = 0.0634674133 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1664117 Capacitance of right DL [F/m2] = 37.4756566 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.07336799 Adsorption of ion 1 on right wall = -4.94149201 Adsorption of ion 2 on left wall = -5.87341001 Adsorption of ion 2 on right wall = 6.83938903 ------------------------------------------------------------------------ net charge in left DL = -11.946778 14.1156637 net charge in right DL = 11.780881 -14.1156637 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.430257343 Relative adsorption of ion 1 on right wall = -0.350071531 Relative adsorption of ion 2 on left wall = -0.416091664 Relative adsorption of ion 2 on right wall = 0.484524791 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00839178133 Right electrode charge = -0.00839178133 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00644 Bulk concentration of Na = 1.00699 ________________________________________________________________________ Average electrode charge 1 = 0.00796714252 Average electrode charge 2 = -0.00796714252 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402936 -0.559757 -0.573140 ________________________________________________________________________ Electrode charge exchange: 0.0637467428 Move Jump Cl: 0.93438 0.36874 Na: 0.93354 0.36855 ________________________________________________________________________ Create NaCl : 198088. / 539614. = 0.36709 Destroy NaCl : 198090. / 540414. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.0411615 Potential at right wall /kT = -1.03413855 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9148986 Potential at right wall /mV = -26.7333494 ________________________________________________________________________ Capacitance of left DL = 0.0561211691 Capacitance of right DL = 0.0565022942 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1541433 Capacitance of right DL [F/m2] = 37.4064613 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.09821279 Adsorption of ion 1 on right wall = -4.91487841 Adsorption of ion 2 on left wall = -5.8530065 Adsorption of ion 2 on right wall = 6.87554026 ------------------------------------------------------------------------ net charge in left DL = -11.9512193 12.5898111 net charge in right DL = 11.7904187 -12.5898111 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.48437683 Relative adsorption of ion 1 on right wall = -0.390385398 Relative adsorption of ion 2 on left wall = -0.464900264 Relative adsorption of ion 2 on right wall = 0.546119414 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00703492488 Right electrode charge = -0.00703492488 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00687 Bulk concentration of Na = 1.00730 ________________________________________________________________________ Average electrode charge 1 = 0.00797817141 Average electrode charge 2 = -0.00797817141 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403675 -0.559757 -0.573880 ________________________________________________________________________ Electrode charge exchange: 0.0637339972 Move Jump Cl: 0.93441 0.36890 Na: 0.93360 0.36859 ________________________________________________________________________ Create NaCl : 203596. / 554617. = 0.36709 Destroy NaCl : 203600. / 555515. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.04806096 Potential at right wall /kT = -1.03569579 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0932554 Potential at right wall /mV = -26.7736052 ________________________________________________________________________ Capacitance of left DL = 0.046737295 Capacitance of right DL = 0.0472952916 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9095551 Capacitance of right DL [F/m2] = 37.3502183 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.0061916 Adsorption of ion 1 on right wall = -4.87708543 Adsorption of ion 2 on left wall = -5.94720894 Adsorption of ion 2 on right wall = 6.95042304 ------------------------------------------------------------------------ net charge in left DL = -11.9534005 10.5541805 net charge in right DL = 11.8275085 -10.5541805 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.569081756 Relative adsorption of ion 1 on right wall = -0.462099867 Relative adsorption of ion 2 on left wall = -0.563493197 Relative adsorption of ion 2 on right wall = 0.658546915 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00720755108 Right electrode charge = -0.00720755108 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00720 Bulk concentration of Na = 1.00751 ________________________________________________________________________ Average electrode charge 1 = 0.00797932924 Average electrode charge 2 = -0.00797932924 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.404214 -0.559757 -0.574419 ________________________________________________________________________ Electrode charge exchange: 0.0637468526 Move Jump Cl: 0.93439 0.36876 Na: 0.93375 0.36867 ________________________________________________________________________ Create NaCl : 209092. / 569728. = 0.36700 Destroy NaCl : 209105. / 570385. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.05818182 Potential at right wall /kT = -1.04478388 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3548879 Potential at right wall /mV = -27.00854 ________________________________________________________________________ Capacitance of left DL = 0.0474261737 Capacitance of right DL = 0.0480343502 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.556538 Capacitance of right DL [F/m2] = 37.0253261 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.98396346 Adsorption of ion 1 on right wall = -4.89602382 Adsorption of ion 2 on left wall = -5.96004549 Adsorption of ion 2 on right wall = 6.9576681 ------------------------------------------------------------------------ net charge in left DL = -11.944009 10.8131638 net charge in right DL = 11.8536919 -10.8131638 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.55339617 Relative adsorption of ion 1 on right wall = -0.452783652 Relative adsorption of ion 2 on left wall = -0.55118424 Relative adsorption of ion 2 on right wall = 0.64344425 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00891191774 Right electrode charge = -0.00891191774 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 315 -1.00 3.0000 1.5000 Na ion: 315 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00783 Bulk concentration of Na = 1.00804 ________________________________________________________________________ Average electrode charge 1 = 0.00799799766 Average electrode charge 2 = -0.00799799766 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.405361 -0.559757 -0.575566 ________________________________________________________________________ Electrode charge exchange: 0.0637473671 Move Jump Cl: 0.93442 0.36868 Na: 0.93366 0.36868 ________________________________________________________________________ Create NaCl : 214567. / 584981. = 0.36679 Destroy NaCl : 214552. / 585415. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.03576223 Potential at right wall /kT = -1.02384684 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7753229 Potential at right wall /mV = -26.4673001 ________________________________________________________________________ Capacitance of left DL = 0.0599103354 Capacitance of right DL = 0.0606075636 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3478222 Capacitance of right DL [F/m2] = 37.782471 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.01969663 Adsorption of ion 1 on right wall = -4.93892987 Adsorption of ion 2 on left wall = -5.92106718 Adsorption of ion 2 on right wall = 6.94186102 ------------------------------------------------------------------------ net charge in left DL = -11.9407638 13.3701483 net charge in right DL = 11.8807909 -13.3701483 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.450234095 Relative adsorption of ion 1 on right wall = -0.369399782 Relative adsorption of ion 2 on left wall = -0.442857256 Relative adsorption of ion 2 on right wall = 0.519205985 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00772665282 Right electrode charge = -0.00772665282 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00829 Bulk concentration of Na = 1.00832 ________________________________________________________________________ Average electrode charge 1 = 0.00799637675 Average electrode charge 2 = -0.00799637675 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.406094 -0.559757 -0.576299 ________________________________________________________________________ Electrode charge exchange: 0.0637382091 Move Jump Cl: 0.93427 0.36886 Na: 0.93368 0.36884 ________________________________________________________________________ Create NaCl : 220128. / 600092. = 0.36682 Destroy NaCl : 220139. / 600331. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 1.02086993 Potential at right wall /kT = -1.00798099 ------------------------------------------------------------------------ Potential at left wall /mV = 26.3903445 Potential at right wall /mV = -26.0571545 ________________________________________________________________________ Capacitance of left DL = 0.0527001241 Capacitance of right DL = 0.0533739949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.8926467 Capacitance of right DL [F/m2] = 38.3771759 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.98241486 Adsorption of ion 1 on right wall = -5.02420431 Adsorption of ion 2 on left wall = -5.92045825 Adsorption of ion 2 on right wall = 6.86824341 ------------------------------------------------------------------------ net charge in left DL = -11.9028731 11.5919488 net charge in right DL = 11.8924477 -11.5919488 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.516083617 Relative adsorption of ion 1 on right wall = -0.433421887 Relative adsorption of ion 2 on left wall = -0.510738821 Relative adsorption of ion 2 on right wall = 0.592501187 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 205------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00564150219 Right electrode charge = -0.00564150219 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 263 -1.00 3.0000 1.5000 Na ion: 263 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00772 Bulk concentration of Na = 1.00769 ________________________________________________________________________ Average electrode charge 1 = 0.00799531041 Average electrode charge 2 = -0.00799531041 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.404904 -0.559757 -0.575108 ________________________________________________________________________ Electrode charge exchange: 0.0637327879 Move Jump Cl: 0.93429 0.36906 Na: 0.93383 0.36896 ________________________________________________________________________ Create NaCl : 225667. / 615012. = 0.36693 Destroy NaCl : 225704. / 615459. = 0.36672 ________________________________________________________________________ Potential at left wall /kT = 1.03157855 Potential at right wall /kT = -1.01835281 ------------------------------------------------------------------------ Potential at left wall /mV = 26.6671713 Potential at right wall /mV = -26.3252746 ________________________________________________________________________ Capacitance of left DL = 0.0380787873 Capacitance of right DL = 0.0385733315 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.4992904 Capacitance of right DL [F/m2] = 37.9863084 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.03572473 Adsorption of ion 1 on right wall = -5.07051185 Adsorption of ion 2 on left wall = -5.86389212 Adsorption of ion 2 on right wall = 6.83677698 ------------------------------------------------------------------------ net charge in left DL = -11.8996169 8.46369133 net charge in right DL = 11.9072888 -8.46369133 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.713131481 Relative adsorption of ion 1 on right wall = -0.599089883 Relative adsorption of ion 2 on left wall = -0.692829156 Relative adsorption of ion 2 on right wall = 0.807777212 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 210------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00948775783 Right electrode charge = -0.00948775783 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 314 -1.00 3.0000 1.5000 Na ion: 314 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00759 Bulk concentration of Na = 1.00751 ________________________________________________________________________ Average electrode charge 1 = 0.00797897529 Average electrode charge 2 = -0.00797897529 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.404594 -0.559757 -0.574799 ________________________________________________________________________ Electrode charge exchange: 0.0637137518 Move Jump Cl: 0.93421 0.36917 Na: 0.93380 0.36890 ________________________________________________________________________ Create NaCl : 231101. / 629899. = 0.36689 Destroy NaCl : 231087. / 630542. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.03894444 Potential at right wall /kT = -1.02399737 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8575856 Potential at right wall /mV = -26.4711913 ________________________________________________________________________ Capacitance of left DL = 0.0635860609 Capacitance of right DL = 0.0645142129 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.2334288 Capacitance of right DL [F/m2] = 37.7769171 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.97128915 Adsorption of ion 1 on right wall = -5.02213943 Adsorption of ion 2 on left wall = -5.90387207 Adsorption of ion 2 on right wall = 6.87412079 ------------------------------------------------------------------------ net charge in left DL = -11.8751612 14.2340552 net charge in right DL = 11.8962602 -14.2340552 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.419507235 Relative adsorption of ion 1 on right wall = -0.352825625 Relative adsorption of ion 2 on left wall = -0.414770912 Relative adsorption of ion 2 on right wall = 0.482934812 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 215------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00953003913 Right electrode charge = -0.00953003913 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00752 Bulk concentration of Na = 1.00755 ________________________________________________________________________ Average electrode charge 1 = 0.00800310823 Average electrode charge 2 = -0.00800310823 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.404570 -0.559757 -0.574775 ________________________________________________________________________ Electrode charge exchange: 0.0637055788 Move Jump Cl: 0.93420 0.36909 Na: 0.93380 0.36881 ________________________________________________________________________ Create NaCl : 236575. / 644848. = 0.36687 Destroy NaCl : 236601. / 645493. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.04643408 Potential at right wall /kT = -1.03245087 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0511992 Potential at right wall /mV = -26.6897213 ________________________________________________________________________ Capacitance of left DL = 0.0634122934 Capacitance of right DL = 0.0642711312 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9669379 Capacitance of right DL [F/m2] = 37.4676074 ________________________________________________________________________ Adsorption of ion 1 on left wall = 5.99953108 Adsorption of ion 1 on right wall = -5.03325613 Adsorption of ion 2 on left wall = -5.93216167 Adsorption of ion 2 on right wall = 6.88819375 ------------------------------------------------------------------------ net charge in left DL = -11.9316928 14.2974879 net charge in right DL = 11.9214499 -14.2974879 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.419621342 Relative adsorption of ion 1 on right wall = -0.352037795 Relative adsorption of ion 2 on left wall = -0.414909367 Relative adsorption of ion 2 on right wall = 0.481776504 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 220------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103913721 Right electrode charge = -0.0103913721 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00665 Bulk concentration of Na = 1.00674 ________________________________________________________________________ Average electrode charge 1 = 0.00798241569 Average electrode charge 2 = -0.00798241569 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402899 -0.559757 -0.573104 ________________________________________________________________________ Electrode charge exchange: 0.0636760093 Move Jump Cl: 0.93408 0.36913 Na: 0.93382 0.36880 ________________________________________________________________________ Create NaCl : 242069. / 659718. = 0.36693 Destroy NaCl : 242069. / 660459. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.04886914 Potential at right wall /kT = -1.03556233 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1141476 Potential at right wall /mV = -26.7701554 ________________________________________________________________________ Capacitance of left DL = 0.0689830261 Capacitance of right DL = 0.069869447 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8811152 Capacitance of right DL [F/m2] = 37.3550316 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.06504792 Adsorption of ion 1 on right wall = -4.99414071 Adsorption of ion 2 on left wall = -5.84751681 Adsorption of ion 2 on right wall = 6.89332562 ------------------------------------------------------------------------ net charge in left DL = -11.9125647 15.589707 net charge in right DL = 11.8874663 -15.589707 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.389041815 Relative adsorption of ion 1 on right wall = -0.320348593 Relative adsorption of ion 2 on left wall = -0.375088306 Relative adsorption of ion 2 on right wall = 0.442171595 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 225------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00951350091 Right electrode charge = -0.00951350091 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00700 Bulk concentration of Na = 1.00694 ________________________________________________________________________ Average electrode charge 1 = 0.00796390223 Average electrode charge 2 = -0.00796390223 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403445 -0.559757 -0.573650 ________________________________________________________________________ Electrode charge exchange: 0.0636776516 Move Jump Cl: 0.93401 0.36904 Na: 0.93386 0.36886 ________________________________________________________________________ Create NaCl : 247523. / 674899. = 0.36676 Destroy NaCl : 247537. / 675264. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.03744132 Potential at right wall /kT = -1.02345036 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8187286 Potential at right wall /mV = -26.4570507 ________________________________________________________________________ Capacitance of left DL = 0.0638509667 Capacitance of right DL = 0.0647238337 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.2873753 Capacitance of right DL [F/m2] = 37.7971079 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.06456908 Adsorption of ion 1 on right wall = -5.06934722 Adsorption of ion 2 on left wall = -5.79314421 Adsorption of ion 2 on right wall = 6.80374023 ------------------------------------------------------------------------ net charge in left DL = -11.8577133 14.2726764 net charge in right DL = 11.8730874 -14.2726764 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.424907629 Relative adsorption of ion 1 on right wall = -0.35517846 Relative adsorption of ion 2 on left wall = -0.405890532 Relative adsorption of ion 2 on right wall = 0.476696875 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 230------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00617906892 Right electrode charge = -0.00617906892 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00669 Bulk concentration of Na = 1.00681 ________________________________________________________________________ Average electrode charge 1 = 0.00795918508 Average electrode charge 2 = -0.00795918508 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403016 -0.559757 -0.573220 ________________________________________________________________________ Electrode charge exchange: 0.0636464512 Move Jump Cl: 0.93387 0.36895 Na: 0.93388 0.36887 ________________________________________________________________________ Create NaCl : 252984. / 689889. = 0.36670 Destroy NaCl : 253012. / 690206. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.03754081 Potential at right wall /kT = -1.02458246 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8213006 Potential at right wall /mV = -26.4863165 ________________________________________________________________________ Capacitance of left DL = 0.0414675621 Capacitance of right DL = 0.0419920207 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.2837997 Capacitance of right DL [F/m2] = 37.7553444 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.13348916 Adsorption of ion 1 on right wall = -5.03663584 Adsorption of ion 2 on left wall = -5.7442612 Adsorption of ion 2 on right wall = 6.80574641 ------------------------------------------------------------------------ net charge in left DL = -11.8777504 9.27017844 net charge in right DL = 11.8423823 -9.27017844 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.66163658 Relative adsorption of ion 1 on right wall = -0.543315954 Relative adsorption of ion 2 on left wall = -0.619649474 Relative adsorption of ion 2 on right wall = 0.734154844 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 235------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0079017849 Right electrode charge = -0.0079017849 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00694 Bulk concentration of Na = 1.00694 ________________________________________________________________________ Average electrode charge 1 = 0.0079571927 Average electrode charge 2 = -0.0079571927 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403387 -0.559757 -0.573592 ________________________________________________________________________ Electrode charge exchange: 0.0636273262 Move Jump Cl: 0.93383 0.36886 Na: 0.93395 0.36886 ________________________________________________________________________ Create NaCl : 258577. / 704874. = 0.36684 Destroy NaCl : 258590. / 705280. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.04670677 Potential at right wall /kT = -1.03510076 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0582484 Potential at right wall /mV = -26.7582234 ________________________________________________________________________ Capacitance of left DL = 0.0525642924 Capacitance of right DL = 0.0531536664 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9573073 Capacitance of right DL [F/m2] = 37.3716889 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.0719288 Adsorption of ion 1 on right wall = -5.03484425 Adsorption of ion 2 on left wall = -5.79269024 Adsorption of ion 2 on right wall = 6.8284587 ------------------------------------------------------------------------ net charge in left DL = -11.864619 11.8546915 net charge in right DL = 11.863303 -11.8546915 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.512196271 Relative adsorption of ion 1 on right wall = -0.424713223 Relative adsorption of ion 2 on left wall = -0.488641161 Relative adsorption of ion 2 on right wall = 0.57601319 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 240------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00884767521 Right electrode charge = -0.00884767521 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00723 Bulk concentration of Na = 1.00723 ________________________________________________________________________ Average electrode charge 1 = 0.00796131821 Average electrode charge 2 = -0.00796131821 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403958 -0.559757 -0.574163 ________________________________________________________________________ Electrode charge exchange: 0.0636494406 Move Jump Cl: 0.93380 0.36892 Na: 0.93389 0.36888 ________________________________________________________________________ Create NaCl : 264165. / 719861. = 0.36697 Destroy NaCl : 264153. / 720352. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 1.06050593 Potential at right wall /kT = -1.04809439 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4149684 Potential at right wall /mV = -27.0941195 ________________________________________________________________________ Capacitance of left DL = 0.0580907149 Capacitance of right DL = 0.0587786259 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4764236 Capacitance of right DL [F/m2] = 36.9083779 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.06248245 Adsorption of ion 1 on right wall = -5.06416581 Adsorption of ion 2 on left wall = -5.8167777 Adsorption of ion 2 on right wall = 6.81632334 ------------------------------------------------------------------------ net charge in left DL = -11.8792601 13.2737681 net charge in right DL = 11.8804892 -13.2737681 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.45672656 Relative adsorption of ion 1 on right wall = -0.381516821 Relative adsorption of ion 2 on left wall = -0.438216009 Relative adsorption of ion 2 on right wall = 0.513518338 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 245------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00996900678 Right electrode charge = -0.00996900678 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 273 -1.00 3.0000 1.5000 Na ion: 273 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00747 Bulk concentration of Na = 1.00731 ________________________________________________________________________ Average electrode charge 1 = 0.0079615951 Average electrode charge 2 = -0.0079615951 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.404277 -0.559757 -0.574482 ________________________________________________________________________ Electrode charge exchange: 0.0636747149 Move Jump Cl: 0.93364 0.36890 Na: 0.93386 0.36881 ________________________________________________________________________ Create NaCl : 269661. / 735099. = 0.36684 Destroy NaCl : 269688. / 735322. = 0.36676 ________________________________________________________________________ Potential at left wall /kT = 1.07264795 Potential at right wall /kT = -1.0593743 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7288496 Potential at right wall /mV = -27.3857147 ________________________________________________________________________ Capacitance of left DL = 0.0647120769 Capacitance of right DL = 0.0655229 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0635228 Capacitance of right DL [F/m2] = 36.5153881 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.17193938 Adsorption of ion 1 on right wall = -5.17125211 Adsorption of ion 2 on left wall = -5.69484115 Adsorption of ion 2 on right wall = 6.74259592 ------------------------------------------------------------------------ net charge in left DL = -11.8667805 14.9560513 net charge in right DL = 11.913848 -14.9560513 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.412671718 Relative adsorption of ion 1 on right wall = -0.345763197 Relative adsorption of ion 2 on left wall = -0.380771705 Relative adsorption of ion 2 on right wall = 0.45082728 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 250------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00752448145 Right electrode charge = -0.00752448145 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00729 Bulk concentration of Na = 1.00706 ________________________________________________________________________ Average electrode charge 1 = 0.00794621914 Average electrode charge 2 = -0.00794621914 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403847 -0.559757 -0.574052 ________________________________________________________________________ Electrode charge exchange: 0.0636903988 Move Jump Cl: 0.93368 0.36881 Na: 0.93386 0.36883 ________________________________________________________________________ Create NaCl : 275158. / 749969. = 0.36689 Destroy NaCl : 275182. / 750470. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.07104217 Potential at right wall /kT = -1.05611894 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6873389 Potential at right wall /mV = -27.3015609 ________________________________________________________________________ Capacitance of left DL = 0.0489170951 Capacitance of right DL = 0.049608306 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1175917 Capacitance of right DL [F/m2] = 36.6279424 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11555141 Adsorption of ion 1 on right wall = -5.16351859 Adsorption of ion 2 on left wall = -5.71720195 Adsorption of ion 2 on right wall = 6.73633338 ------------------------------------------------------------------------ net charge in left DL = -11.8327534 11.2886402 net charge in right DL = 11.899852 -11.2886402 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.54174385 Relative adsorption of ion 1 on right wall = -0.457408377 Relative adsorption of ion 2 on left wall = -0.506456212 Relative adsorption of ion 2 on right wall = 0.596735591 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 255------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00270860846 Right electrode charge = -0.00270860846 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00709 Bulk concentration of Na = 1.00680 ________________________________________________________________________ Average electrode charge 1 = 0.00795036528 Average electrode charge 2 = -0.00795036528 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403397 -0.559757 -0.573602 ________________________________________________________________________ Electrode charge exchange: 0.0637196792 Move Jump Cl: 0.93364 0.36883 Na: 0.93387 0.36893 ________________________________________________________________________ Create NaCl : 280751. / 764918. = 0.36703 Destroy NaCl : 280757. / 765530. = 0.36675 ________________________________________________________________________ Potential at left wall /kT = 1.06503186 Potential at right wall /kT = -1.05269147 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5319673 Potential at right wall /mV = -27.2129578 ________________________________________________________________________ Capacitance of left DL = 0.0177081945 Capacitance of right DL = 0.0179157825 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3214146 Capacitance of right DL [F/m2] = 36.7471999 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.09030727 Adsorption of ion 1 on right wall = -5.15604143 Adsorption of ion 2 on left wall = -5.73618449 Adsorption of ion 2 on right wall = 6.75586878 ------------------------------------------------------------------------ net charge in left DL = -11.8264918 4.06360312 net charge in right DL = 11.9119102 -4.06360312 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.49874559 Relative adsorption of ion 1 on right wall = -1.26883489 Relative adsorption of ion 2 on left wall = -1.41160057 Relative adsorption of ion 2 on right wall = 1.66253164 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 260------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00828897016 Right electrode charge = -0.00828897016 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00684 Bulk concentration of Na = 1.00655 ________________________________________________________________________ Average electrode charge 1 = 0.00793115428 Average electrode charge 2 = -0.00793115428 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402900 -0.559757 -0.573105 ________________________________________________________________________ Electrode charge exchange: 0.0637122791 Move Jump Cl: 0.93359 0.36874 Na: 0.93387 0.36887 ________________________________________________________________________ Create NaCl : 286229. / 779759. = 0.36707 Destroy NaCl : 286254. / 780455. = 0.36678 ________________________________________________________________________ Potential at left wall /kT = 1.09359362 Potential at right wall /kT = -1.08465619 ------------------------------------------------------------------------ Potential at left wall /mV = 28.2703128 Potential at right wall /mV = -28.0392727 ________________________________________________________________________ Capacitance of left DL = 0.052775853 Capacitance of right DL = 0.0532107193 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.3727958 Capacitance of right DL [F/m2] = 35.6642631 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.116709 Adsorption of ion 1 on right wall = -5.12119388 Adsorption of ion 2 on left wall = -5.70528377 Adsorption of ion 2 on right wall = 6.78453963 ------------------------------------------------------------------------ net charge in left DL = -11.8219928 12.4355681 net charge in right DL = 11.9057335 -12.4355681 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.491872099 Relative adsorption of ion 1 on right wall = -0.411818248 Relative adsorption of ion 2 on left wall = -0.458787545 Relative adsorption of ion 2 on right wall = 0.545575365 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 265------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00853087103 Right electrode charge = -0.00853087103 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00669 Bulk concentration of Na = 1.00632 ________________________________________________________________________ Average electrode charge 1 = 0.00792623586 Average electrode charge 2 = -0.00792623586 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402526 -0.559757 -0.572731 ________________________________________________________________________ Electrode charge exchange: 0.0637006611 Move Jump Cl: 0.93363 0.36881 Na: 0.93387 0.36894 ________________________________________________________________________ Create NaCl : 291760. / 794720. = 0.36712 Destroy NaCl : 291769. / 795415. = 0.36681 ________________________________________________________________________ Potential at left wall /kT = 1.06309334 Potential at right wall /kT = -1.05371027 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4818549 Potential at right wall /mV = -27.2392947 ________________________________________________________________________ Capacitance of left DL = 0.0558743692 Capacitance of right DL = 0.0563719187 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3876457 Capacitance of right DL [F/m2] = 36.71167 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.09486587 Adsorption of ion 1 on right wall = -5.11971118 Adsorption of ion 2 on left wall = -5.68637347 Adsorption of ion 2 on right wall = 6.76932873 ------------------------------------------------------------------------ net charge in left DL = -11.7812393 12.7984811 net charge in right DL = 11.8890399 -12.7984811 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.476217905 Relative adsorption of ion 1 on right wall = -0.400024904 Relative adsorption of ion 2 on left wall = -0.44430065 Relative adsorption of ion 2 on right wall = 0.52891657 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 270------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00770534207 Right electrode charge = -0.00770534207 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00689 Bulk concentration of Na = 1.00645 ________________________________________________________________________ Average electrode charge 1 = 0.00792277147 Average electrode charge 2 = -0.00792277147 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402855 -0.559757 -0.573060 ________________________________________________________________________ Electrode charge exchange: 0.0637172631 Move Jump Cl: 0.93375 0.36872 Na: 0.93398 0.36887 ________________________________________________________________________ Create NaCl : 297272. / 809886. = 0.36705 Destroy NaCl : 297268. / 810239. = 0.36689 ________________________________________________________________________ Potential at left wall /kT = 1.0513278 Potential at right wall /kT = -1.04301024 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1777059 Potential at right wall /mV = -26.9626901 ________________________________________________________________________ Capacitance of left DL = 0.051032216 Capacitance of right DL = 0.0514391759 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7948642 Capacitance of right DL [F/m2] = 37.0882874 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.03867692 Adsorption of ion 1 on right wall = -5.10432987 Adsorption of ion 2 on left wall = -5.7187787 Adsorption of ion 2 on right wall = 6.78236328 ------------------------------------------------------------------------ net charge in left DL = -11.7574556 11.5599772 net charge in right DL = 11.8866931 -11.5599772 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.522377925 Relative adsorption of ion 1 on right wall = -0.441551896 Relative adsorption of ion 2 on left wall = -0.494705014 Relative adsorption of ion 2 on right wall = 0.586710781 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 275------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00780933531 Right electrode charge = -0.00780933531 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00704 Bulk concentration of Na = 1.00652 ________________________________________________________________________ Average electrode charge 1 = 0.00793199288 Average electrode charge 2 = -0.00793199288 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.403067 -0.559757 -0.573271 ________________________________________________________________________ Electrode charge exchange: 0.0637069211 Move Jump Cl: 0.93372 0.36866 Na: 0.93391 0.36868 ________________________________________________________________________ Create NaCl : 302643. / 824941. = 0.36687 Destroy NaCl : 302659. / 825052. = 0.36684 ________________________________________________________________________ Potential at left wall /kT = 1.04459663 Potential at right wall /kT = -1.03538477 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0036996 Potential at right wall /mV = -26.7655652 ________________________________________________________________________ Capacitance of left DL = 0.052054239 Capacitance of right DL = 0.0525173677 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0319629 Capacitance of right DL [F/m2] = 37.3614378 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.05914365 Adsorption of ion 1 on right wall = -5.0886612 Adsorption of ion 2 on left wall = -5.69682713 Adsorption of ion 2 on right wall = 6.81778135 ------------------------------------------------------------------------ net charge in left DL = -11.7559708 11.7159936 net charge in right DL = 11.9064426 -11.7159936 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.51716857 Relative adsorption of ion 1 on right wall = -0.434334583 Relative adsorption of ion 2 on left wall = -0.486243619 Relative adsorption of ion 2 on right wall = 0.581920884 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 280------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00753396403 Right electrode charge = -0.00753396403 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00693 Bulk concentration of Na = 1.00645 ________________________________________________________________________ Average electrode charge 1 = 0.00792303739 Average electrode charge 2 = -0.00792303739 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402890 -0.559757 -0.573094 ________________________________________________________________________ Electrode charge exchange: 0.0637017359 Move Jump Cl: 0.93367 0.36864 Na: 0.93395 0.36856 ________________________________________________________________________ Create NaCl : 308099. / 839955. = 0.36680 Destroy NaCl : 308094. / 840121. = 0.36673 ________________________________________________________________________ Potential at left wall /kT = 1.03421495 Potential at right wall /kT = -1.02500675 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7353244 Potential at right wall /mV = -26.4972847 ________________________________________________________________________ Capacitance of left DL = 0.0507228191 Capacitance of right DL = 0.0511784901 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.403698 Capacitance of right DL [F/m2] = 37.739716 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.05633706 Adsorption of ion 1 on right wall = -5.08375014 Adsorption of ion 2 on left wall = -5.68485542 Adsorption of ion 2 on right wall = 6.79777345 ------------------------------------------------------------------------ net charge in left DL = -11.7411925 11.3028665 net charge in right DL = 11.8815236 -11.3028665 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.535823109 Relative adsorption of ion 1 on right wall = -0.449775298 Relative adsorption of ion 2 on left wall = -0.502956965 Relative adsorption of ion 2 on right wall = 0.601420308 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 285------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00572428067 Right electrode charge = -0.00572428067 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00660 Bulk concentration of Na = 1.00602 ________________________________________________________________________ Average electrode charge 1 = 0.00791682762 Average electrode charge 2 = -0.00791682762 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.402128 -0.559757 -0.572333 ________________________________________________________________________ Electrode charge exchange: 0.06369024 Move Jump Cl: 0.93373 0.36868 Na: 0.93395 0.36869 ________________________________________________________________________ Create NaCl : 313624. / 854981. = 0.36682 Destroy NaCl : 313652. / 855260. = 0.36673 ________________________________________________________________________ Potential at left wall /kT = 1.03677203 Potential at right wall /kT = -1.02870384 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8014269 Potential at right wall /mV = -26.5928577 ________________________________________________________________________ Capacitance of left DL = 0.0384439764 Capacitance of right DL = 0.0387454947 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3114463 Capacitance of right DL [F/m2] = 37.604082 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.04590447 Adsorption of ion 1 on right wall = -5.12028179 Adsorption of ion 2 on left wall = -5.67409835 Adsorption of ion 2 on right wall = 6.77058323 ------------------------------------------------------------------------ net charge in left DL = -11.7200028 8.58788016 net charge in right DL = 11.890865 -8.58788016 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.70400429 Relative adsorption of ion 1 on right wall = -0.596221849 Relative adsorption of ion 2 on left wall = -0.660710006 Relative adsorption of ion 2 on right wall = 0.788388183 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 290------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0106686792 Right electrode charge = -0.0106686792 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 317 -1.00 3.0000 1.5000 Na ion: 317 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00644 Bulk concentration of Na = 1.00580 ________________________________________________________________________ Average electrode charge 1 = 0.00792908981 Average electrode charge 2 = -0.00792908981 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.401764 -0.559757 -0.571969 ________________________________________________________________________ Electrode charge exchange: 0.0636791066 Move Jump Cl: 0.93376 0.36869 Na: 0.93393 0.36873 ________________________________________________________________________ Create NaCl : 319097. / 870060. = 0.36675 Destroy NaCl : 319080. / 870266. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.04373728 Potential at right wall /kT = -1.03635917 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9814845 Potential at right wall /mV = -26.7907543 ________________________________________________________________________ Capacitance of left DL = 0.0711721549 Capacitance of right DL = 0.0716788476 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0624529 Capacitance of right DL [F/m2] = 37.3263099 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.09063205 Adsorption of ion 1 on right wall = -5.1248076 Adsorption of ion 2 on left wall = -5.64390508 Adsorption of ion 2 on right wall = 6.79683803 ------------------------------------------------------------------------ net charge in left DL = -11.7345371 16.0057383 net charge in right DL = 11.9216456 -16.0057383 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.380528028 Relative adsorption of ion 1 on right wall = -0.320185642 Relative adsorption of ion 2 on left wall = -0.352617602 Relative adsorption of ion 2 on right wall = 0.424650078 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 295------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00934579455 Right electrode charge = -0.00934579455 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00614 Bulk concentration of Na = 1.00555 ________________________________________________________________________ Average electrode charge 1 = 0.00793231215 Average electrode charge 2 = -0.00793231215 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.401211 -0.559757 -0.571416 ________________________________________________________________________ Electrode charge exchange: 0.0636972171 Move Jump Cl: 0.93383 0.36872 Na: 0.93397 0.36870 ________________________________________________________________________ Create NaCl : 324604. / 885124. = 0.36673 Destroy NaCl : 324620. / 885360. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.05628852 Potential at right wall /kT = -1.04848716 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3059447 Potential at right wall /mV = -27.1042731 ________________________________________________________________________ Capacitance of left DL = 0.061606186 Capacitance of right DL = 0.062064572 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.622062 Capacitance of right DL [F/m2] = 36.8945516 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.1405639 Adsorption of ion 1 on right wall = -5.0912861 Adsorption of ion 2 on left wall = -5.61475273 Adsorption of ion 2 on right wall = 6.83845207 ------------------------------------------------------------------------ net charge in left DL = -11.7553166 14.0210741 net charge in right DL = 11.9297382 -14.0210741 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.43795246 Relative adsorption of ion 1 on right wall = -0.363116696 Relative adsorption of ion 2 on left wall = -0.40045097 Relative adsorption of ion 2 on right wall = 0.48772669 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 300------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00628600719 Right electrode charge = -0.00628600719 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 325 -1.00 3.0000 1.5000 Na ion: 325 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00608 Bulk concentration of Na = 1.00541 ________________________________________________________________________ Average electrode charge 1 = 0.00793159237 Average electrode charge 2 = -0.00793159237 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.401007 -0.559757 -0.571212 ________________________________________________________________________ Electrode charge exchange: 0.0636711775 Move Jump Cl: 0.93387 0.36876 Na: 0.93389 0.36879 ________________________________________________________________________ Create NaCl : 330166. / 900090. = 0.36681 Destroy NaCl : 330141. / 900419. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.04042875 Potential at right wall /kT = -1.02800349 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8959563 Potential at right wall /mV = -26.5747528 ________________________________________________________________________ Capacitance of left DL = 0.0420681276 Capacitance of right DL = 0.0425765962 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1803103 Capacitance of right DL [F/m2] = 37.6297009 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.14267058 Adsorption of ion 1 on right wall = -5.08700248 Adsorption of ion 2 on left wall = -5.58714698 Adsorption of ion 2 on right wall = 6.84031552 ------------------------------------------------------------------------ net charge in left DL = -11.7298176 9.43061312 net charge in right DL = 11.927318 -9.43061312 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.651354318 Relative adsorption of ion 1 on right wall = -0.53941376 Relative adsorption of ion 2 on left wall = -0.592447905 Relative adsorption of ion 2 on right wall = 0.725330944 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 305------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00474797184 Right electrode charge = -0.00474797184 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 271 -1.00 3.0000 1.5000 Na ion: 271 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00593 Bulk concentration of Na = 1.00525 ________________________________________________________________________ Average electrode charge 1 = 0.0079301293 Average electrode charge 2 = -0.0079301293 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400709 -0.559757 -0.570914 ________________________________________________________________________ Electrode charge exchange: 0.0636552149 Move Jump Cl: 0.93381 0.36875 Na: 0.93387 0.36872 ________________________________________________________________________ Create NaCl : 335587. / 915008. = 0.36676 Destroy NaCl : 335616. / 915436. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.03441736 Potential at right wall /kT = -1.02053525 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7405568 Potential at right wall /mV = -26.3816928 ________________________________________________________________________ Capacitance of left DL = 0.0319597216 Capacitance of right DL = 0.0323944623 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3963791 Capacitance of right DL [F/m2] = 37.9050734 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.13271221 Adsorption of ion 1 on right wall = -5.03354325 Adsorption of ion 2 on left wall = -5.58963824 Adsorption of ion 2 on right wall = 6.88818062 ------------------------------------------------------------------------ net charge in left DL = -11.7223504 7.12316804 net charge in right DL = 11.9217239 -7.12316804 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.860952904 Relative adsorption of ion 1 on right wall = -0.706643901 Relative adsorption of ion 2 on left wall = -0.784712392 Relative adsorption of ion 2 on right wall = 0.967010826 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 310------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00859320313 Right electrode charge = -0.00859320313 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00605 Bulk concentration of Na = 1.00542 ________________________________________________________________________ Average electrode charge 1 = 0.00792311075 Average electrode charge 2 = -0.00792311075 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400990 -0.559757 -0.571195 ________________________________________________________________________ Electrode charge exchange: 0.0636769666 Move Jump Cl: 0.93377 0.36887 Na: 0.93383 0.36871 ________________________________________________________________________ Create NaCl : 341175. / 930077. = 0.36682 Destroy NaCl : 341176. / 930498. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.03564254 Potential at right wall /kT = -1.0222061 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7722287 Potential at right wall /mV = -26.4248856 ________________________________________________________________________ Capacitance of left DL = 0.0577744542 Capacitance of right DL = 0.058533873 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3521388 Capacitance of right DL [F/m2] = 37.8431156 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.09141148 Adsorption of ion 1 on right wall = -5.05148368 Adsorption of ion 2 on left wall = -5.62997294 Adsorption of ion 2 on right wall = 6.85450986 ------------------------------------------------------------------------ net charge in left DL = -11.7213844 12.8919951 net charge in right DL = 11.9059935 -12.8919951 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.472495639 Relative adsorption of ion 1 on right wall = -0.391831026 Relative adsorption of ion 2 on left wall = -0.436702999 Relative adsorption of ion 2 on right wall = 0.531687282 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 315------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00788826755 Right electrode charge = -0.00788826755 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00557 Bulk concentration of Na = 1.00502 ________________________________________________________________________ Average electrode charge 1 = 0.00791172308 Average electrode charge 2 = -0.00791172308 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400124 -0.559757 -0.570328 ________________________________________________________________________ Electrode charge exchange: 0.0637040754 Move Jump Cl: 0.93379 0.36887 Na: 0.93396 0.36873 ________________________________________________________________________ Create NaCl : 346758. / 944907. = 0.36698 Destroy NaCl : 346762. / 945703. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.04791841 Potential at right wall /kT = -1.0357762 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0895704 Potential at right wall /mV = -26.7756841 ________________________________________________________________________ Capacitance of left DL = 0.0524136993 Capacitance of right DL = 0.0530281353 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9145758 Capacitance of right DL [F/m2] = 37.3473184 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.13825814 Adsorption of ion 1 on right wall = -5.0781834 Adsorption of ion 2 on left wall = -5.58787959 Adsorption of ion 2 on right wall = 6.80923761 ------------------------------------------------------------------------ net charge in left DL = -11.7261377 11.8344121 net charge in right DL = 11.887421 -11.8344121 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.518678756 Relative adsorption of ion 1 on right wall = -0.429103141 Relative adsorption of ion 2 on left wall = -0.472172133 Relative adsorption of ion 2 on right wall = 0.575376078 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 320------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00695922136 Right electrode charge = -0.00695922136 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00601 Bulk concentration of Na = 1.00555 ________________________________________________________________________ Average electrode charge 1 = 0.00791951938 Average electrode charge 2 = -0.00791951938 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.401079 -0.559757 -0.571283 ________________________________________________________________________ Electrode charge exchange: 0.0636893288 Move Jump Cl: 0.93384 0.36874 Na: 0.93391 0.36858 ________________________________________________________________________ Create NaCl : 352252. / 960085. = 0.36690 Destroy NaCl : 352256. / 960526. = 0.36673 ________________________________________________________________________ Potential at left wall /kT = 1.06461825 Potential at right wall /kT = -1.05274773 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5212753 Potential at right wall /mV = -27.2144124 ________________________________________________________________________ Capacitance of left DL = 0.0455152985 Capacitance of right DL = 0.0460285176 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3355255 Capacitance of right DL [F/m2] = 36.7452358 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.13233478 Adsorption of ion 1 on right wall = -5.0848423 Adsorption of ion 2 on left wall = -5.62932194 Adsorption of ion 2 on right wall = 6.81380878 ------------------------------------------------------------------------ net charge in left DL = -11.7616567 10.440606 net charge in right DL = 11.8986511 -10.440606 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.587354297 Relative adsorption of ion 1 on right wall = -0.487025591 Relative adsorption of ion 2 on left wall = -0.539175787 Relative adsorption of ion 2 on right wall = 0.652625796 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 325------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00805776704 Right electrode charge = -0.00805776704 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00584 Bulk concentration of Na = 1.00544 ________________________________________________________________________ Average electrode charge 1 = 0.00790822699 Average electrode charge 2 = -0.00790822699 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400797 -0.559757 -0.571002 ________________________________________________________________________ Electrode charge exchange: 0.063693749 Move Jump Cl: 0.93394 0.36875 Na: 0.93391 0.36859 ________________________________________________________________________ Create NaCl : 357729. / 974968. = 0.36691 Destroy NaCl : 357728. / 975452. = 0.36673 ________________________________________________________________________ Potential at left wall /kT = 1.04548024 Potential at right wall /kT = -1.03516884 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0265417 Potential at right wall /mV = -26.7599831 ________________________________________________________________________ Capacitance of left DL = 0.0536648017 Capacitance of right DL = 0.0541993616 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0006644 Capacitance of right DL [F/m2] = 37.3692314 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.15122204 Adsorption of ion 1 on right wall = -5.09688617 Adsorption of ion 2 on left wall = -5.5916489 Adsorption of ion 2 on right wall = 6.76211674 ------------------------------------------------------------------------ net charge in left DL = -11.7428709 12.0887045 net charge in right DL = 11.8590029 -12.0887045 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.508840466 Relative adsorption of ion 1 on right wall = -0.421623853 Relative adsorption of ion 2 on left wall = -0.462551541 Relative adsorption of ion 2 on right wall = 0.559374806 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 330------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00740821695 Right electrode charge = -0.00740821695 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00604 Bulk concentration of Na = 1.00562 ________________________________________________________________________ Average electrode charge 1 = 0.00791806752 Average electrode charge 2 = -0.00791806752 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.401178 -0.559757 -0.571383 ________________________________________________________________________ Electrode charge exchange: 0.0636904994 Move Jump Cl: 0.93391 0.36873 Na: 0.93387 0.36857 ________________________________________________________________________ Create NaCl : 363163. / 989972. = 0.36684 Destroy NaCl : 363167. / 990516. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.04677087 Potential at right wall /kT = -1.03804671 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0599054 Potential at right wall /mV = -26.8343785 ________________________________________________________________________ Capacitance of left DL = 0.0492779596 Capacitance of right DL = 0.0496921114 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9550442 Capacitance of right DL [F/m2] = 37.2656293 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.19164248 Adsorption of ion 1 on right wall = -5.12738353 Adsorption of ion 2 on left wall = -5.56506274 Adsorption of ion 2 on right wall = 6.74965014 ------------------------------------------------------------------------ net charge in left DL = -11.7567052 11.1142138 net charge in right DL = 11.8770337 -11.1142138 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.557092259 Relative adsorption of ion 1 on right wall = -0.461335693 Relative adsorption of ion 2 on left wall = -0.500715825 Relative adsorption of ion 2 on right wall = 0.607298929 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 335------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00793508098 Right electrode charge = -0.00793508098 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 277 -1.00 3.0000 1.5000 Na ion: 277 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00572 Bulk concentration of Na = 1.00537 ________________________________________________________________________ Average electrode charge 1 = 0.00791105545 Average electrode charge 2 = -0.00791105545 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400608 -0.559757 -0.570812 ________________________________________________________________________ Electrode charge exchange: 0.0636792038 Move Jump Cl: 0.93389 0.36879 Na: 0.93387 0.36864 ________________________________________________________________________ Create NaCl : 368747. / 1004989. = 0.36692 Destroy NaCl : 368770. / 1005768. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.03955328 Potential at right wall /kT = -1.03205781 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8733247 Potential at right wall /mV = -26.6795604 ________________________________________________________________________ Capacitance of left DL = 0.0531490202 Capacitance of right DL = 0.0535350229 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.211622 Capacitance of right DL [F/m2] = 37.481877 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.16448954 Adsorption of ion 1 on right wall = -5.09836718 Adsorption of ion 2 on left wall = -5.58789103 Adsorption of ion 2 on right wall = 6.75523484 ------------------------------------------------------------------------ net charge in left DL = -11.7523806 11.9046442 net charge in right DL = 11.853602 -11.9046442 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.517822243 Relative adsorption of ion 1 on right wall = -0.428267079 Relative adsorption of ion 2 on left wall = -0.469387489 Relative adsorption of ion 2 on right wall = 0.567445339 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 340------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00693904587 Right electrode charge = -0.00693904587 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00571 Bulk concentration of Na = 1.00540 ________________________________________________________________________ Average electrode charge 1 = 0.00790508448 Average electrode charge 2 = -0.00790508448 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400623 -0.559757 -0.570828 ________________________________________________________________________ Electrode charge exchange: 0.0636884615 Move Jump Cl: 0.93383 0.36878 Na: 0.93384 0.36870 ________________________________________________________________________ Create NaCl : 374212. / 1020002. = 0.36687 Destroy NaCl : 374219. / 1020614. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.03627262 Potential at right wall /kT = -1.0280799 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7885168 Potential at right wall /mV = -26.5767282 ________________________________________________________________________ Capacitance of left DL = 0.0466247363 Capacitance of right DL = 0.0469962865 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3294276 Capacitance of right DL [F/m2] = 37.626904 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.1299002 Adsorption of ion 1 on right wall = -5.04636328 Adsorption of ion 2 on left wall = -5.61707841 Adsorption of ion 2 on right wall = 6.79151302 ------------------------------------------------------------------------ net charge in left DL = -11.7469786 10.4103376 net charge in right DL = 11.8378763 -10.4103376 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.588828185 Relative adsorption of ion 1 on right wall = -0.484745402 Relative adsorption of ion 2 on left wall = -0.539567363 Relative adsorption of ion 2 on right wall = 0.65238163 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 345------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00831475046 Right electrode charge = -0.00831475046 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00580 Bulk concentration of Na = 1.00553 ________________________________________________________________________ Average electrode charge 1 = 0.00789480011 Average electrode charge 2 = -0.00789480011 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400851 -0.559757 -0.571056 ________________________________________________________________________ Electrode charge exchange: 0.0636813634 Move Jump Cl: 0.93377 0.36881 Na: 0.93391 0.36872 ________________________________________________________________________ Create NaCl : 379633. / 1035111. = 0.36676 Destroy NaCl : 379627. / 1035403. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.03271053 Potential at right wall /kT = -1.02541857 ------------------------------------------------------------------------ Potential at left wall /mV = 26.6964337 Potential at right wall /mV = -26.5079306 ________________________________________________________________________ Capacitance of left DL = 0.0560610554 Capacitance of right DL = 0.0564597165 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.4581867 Capacitance of right DL [F/m2] = 37.7245593 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.09514742 Adsorption of ion 1 on right wall = -5.00096852 Adsorption of ion 2 on left wall = -5.64101934 Adsorption of ion 2 on right wall = 6.81511979 ------------------------------------------------------------------------ net charge in left DL = -11.7361668 12.4742452 net charge in right DL = 11.8160883 -12.4742452 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.488618537 Relative adsorption of ion 1 on right wall = -0.400903498 Relative adsorption of ion 2 on left wall = -0.452213282 Relative adsorption of ion 2 on right wall = 0.546335246 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 350------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00684550792 Right electrode charge = -0.00684550792 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00550 Bulk concentration of Na = 1.00520 ________________________________________________________________________ Average electrode charge 1 = 0.00789931838 Average electrode charge 2 = -0.00789931838 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400226 -0.559757 -0.570431 ________________________________________________________________________ Electrode charge exchange: 0.0636902275 Move Jump Cl: 0.93379 0.36880 Na: 0.93389 0.36868 ________________________________________________________________________ Create NaCl : 385128. / 1050240. = 0.36670 Destroy NaCl : 385145. / 1050440. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.03457628 Potential at right wall /kT = -1.027414 ------------------------------------------------------------------------ Potential at left wall /mV = 26.744665 Potential at right wall /mV = -26.559514 ________________________________________________________________________ Capacitance of left DL = 0.046071655 Capacitance of right DL = 0.0463928285 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3906347 Capacitance of right DL [F/m2] = 37.6512913 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.18089356 Adsorption of ion 1 on right wall = -4.97367572 Adsorption of ion 2 on left wall = -5.55903038 Adsorption of ion 2 on right wall = 6.85485843 ------------------------------------------------------------------------ net charge in left DL = -11.7399239 10.2700068 net charge in right DL = 11.8285341 -10.2700068 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.601839284 Relative adsorption of ion 1 on right wall = -0.484291374 Relative adsorption of ion 2 on left wall = -0.541287895 Relative adsorption of ion 2 on right wall = 0.667463862 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 355------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00675392668 Right electrode charge = -0.00675392668 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00552 Bulk concentration of Na = 1.00532 ________________________________________________________________________ Average electrode charge 1 = 0.0079116576 Average electrode charge 2 = -0.0079116576 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400371 -0.559757 -0.570576 ________________________________________________________________________ Electrode charge exchange: 0.0637022662 Move Jump Cl: 0.93392 0.36880 Na: 0.93391 0.36874 ________________________________________________________________________ Create NaCl : 390611. / 1065174. = 0.36671 Destroy NaCl : 390605. / 1065388. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.03320457 Potential at right wall /kT = -1.02487693 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7092053 Potential at right wall /mV = -26.4939287 ________________________________________________________________________ Capacitance of left DL = 0.0455156422 Capacitance of right DL = 0.0458854798 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.4402754 Capacitance of right DL [F/m2] = 37.7444965 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.16326572 Adsorption of ion 1 on right wall = -4.95355939 Adsorption of ion 2 on left wall = -5.60795846 Adsorption of ion 2 on right wall = 6.87685398 ------------------------------------------------------------------------ net charge in left DL = -11.7712242 10.1326116 net charge in right DL = 11.8304134 -10.1326116 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.608260333 Relative adsorption of ion 1 on right wall = -0.488872916 Relative adsorption of ion 2 on left wall = -0.553456371 Relative adsorption of ion 2 on right wall = 0.678685243 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 360------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00835112541 Right electrode charge = -0.00835112541 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00527 Bulk concentration of Na = 1.00504 ________________________________________________________________________ Average electrode charge 1 = 0.00790927824 Average electrode charge 2 = -0.00790927824 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399829 -0.559757 -0.570034 ________________________________________________________________________ Electrode charge exchange: 0.0637102273 Move Jump Cl: 0.93394 0.36882 Na: 0.93392 0.36880 ________________________________________________________________________ Create NaCl : 396145. / 1080241. = 0.36672 Destroy NaCl : 396161. / 1080523. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.03977987 Potential at right wall /kT = -1.03114313 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8791821 Potential at right wall /mV = -26.6559151 ________________________________________________________________________ Capacitance of left DL = 0.0559234885 Capacitance of right DL = 0.0563918974 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.203513 Capacitance of right DL [F/m2] = 37.5151254 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.1473788 Adsorption of ion 1 on right wall = -4.93288 Adsorption of ion 2 on left wall = -5.62064867 Adsorption of ion 2 on right wall = 6.90207633 ------------------------------------------------------------------------ net charge in left DL = -11.7680275 12.5288169 net charge in right DL = 11.8349563 -12.5288169 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490659164 Relative adsorption of ion 1 on right wall = -0.393722732 Relative adsorption of ion 2 on left wall = -0.448617674 Relative adsorption of ion 2 on right wall = 0.550896099 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 365------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0052056348 Right electrode charge = -0.0052056348 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 315 -1.00 3.0000 1.5000 Na ion: 315 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00551 Bulk concentration of Na = 1.00522 ________________________________________________________________________ Average electrode charge 1 = 0.00791316243 Average electrode charge 2 = -0.00791316243 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400256 -0.559757 -0.570461 ________________________________________________________________________ Electrode charge exchange: 0.0637042416 Move Jump Cl: 0.93396 0.36880 Na: 0.93387 0.36877 ________________________________________________________________________ Create NaCl : 401608. / 1095217. = 0.36669 Destroy NaCl : 401593. / 1095467. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.0496942 Potential at right wall /kT = -1.04107802 ------------------------------------------------------------------------ Potential at left wall /mV = 27.135476 Potential at right wall /mV = -26.9127404 ________________________________________________________________________ Capacitance of left DL = 0.0345303954 Capacitance of right DL = 0.0348161764 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8521267 Capacitance of right DL [F/m2] = 37.1571228 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.12831825 Adsorption of ion 1 on right wall = -4.96999705 Adsorption of ion 2 on left wall = -5.64308301 Adsorption of ion 2 on right wall = 6.88833457 ------------------------------------------------------------------------ net charge in left DL = -11.7714013 7.80977914 net charge in right DL = 11.8583316 -7.80977914 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.784698022 Relative adsorption of ion 1 on right wall = -0.636381255 Relative adsorption of ion 2 on left wall = -0.722566273 Relative adsorption of ion 2 on right wall = 0.882014004 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 370------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00886413026 Right electrode charge = -0.00886413026 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 276 -1.00 3.0000 1.5000 Na ion: 276 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00571 Bulk concentration of Na = 1.00536 ________________________________________________________________________ Average electrode charge 1 = 0.00791325729 Average electrode charge 2 = -0.00791325729 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400592 -0.559757 -0.570796 ________________________________________________________________________ Electrode charge exchange: 0.0637161617 Move Jump Cl: 0.93394 0.36873 Na: 0.93385 0.36870 ________________________________________________________________________ Create NaCl : 407023. / 1110257. = 0.36660 Destroy NaCl : 407047. / 1110442. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.05191424 Potential at right wall /kT = -1.04357027 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1928658 Potential at right wall /mV = -26.9771672 ________________________________________________________________________ Capacitance of left DL = 0.0586741017 Capacitance of right DL = 0.0591432362 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7743513 Capacitance of right DL [F/m2] = 37.0683842 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11488095 Adsorption of ion 1 on right wall = -4.95610599 Adsorption of ion 2 on left wall = -5.65090546 Adsorption of ion 2 on right wall = 6.91312697 ------------------------------------------------------------------------ net charge in left DL = -11.7657864 13.2984549 net charge in right DL = 11.869233 -13.2984549 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.459818903 Relative adsorption of ion 1 on right wall = -0.372682844 Relative adsorption of ion 2 on left wall = -0.424929475 Relative adsorption of ion 2 on right wall = 0.519844375 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 375------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00823039343 Right electrode charge = -0.00823039343 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00578 Bulk concentration of Na = 1.00531 ________________________________________________________________________ Average electrode charge 1 = 0.00792172668 Average electrode charge 2 = -0.00792172668 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400614 -0.559757 -0.570818 ________________________________________________________________________ Electrode charge exchange: 0.0637020031 Move Jump Cl: 0.93404 0.36875 Na: 0.93386 0.36866 ________________________________________________________________________ Create NaCl : 412486. / 1125133. = 0.36661 Destroy NaCl : 412505. / 1125396. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.0569768 Potential at right wall /kT = -1.04798682 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3237374 Potential at right wall /mV = -27.0913389 ________________________________________________________________________ Capacitance of left DL = 0.054218287 Capacitance of right DL = 0.0546833895 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5982145 Capacitance of right DL [F/m2] = 36.9121661 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.11272228 Adsorption of ion 1 on right wall = -5.01911772 Adsorption of ion 2 on left wall = -5.65227982 Adsorption of ion 2 on right wall = 6.88341574 ------------------------------------------------------------------------ net charge in left DL = -11.7650021 12.3476881 net charge in right DL = 11.9025335 -12.3476881 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495049942 Relative adsorption of ion 1 on right wall = -0.406482386 Relative adsorption of ion 2 on left wall = -0.457760171 Relative adsorption of ion 2 on right wall = 0.557465955 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 380------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0100689149 Right electrode charge = -0.0100689149 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00564 Bulk concentration of Na = 1.00510 ________________________________________________________________________ Average electrode charge 1 = 0.00792794846 Average electrode charge 2 = -0.00792794846 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.400265 -0.559757 -0.570469 ________________________________________________________________________ Electrode charge exchange: 0.0636953954 Move Jump Cl: 0.93406 0.36869 Na: 0.93388 0.36868 ________________________________________________________________________ Create NaCl : 417982. / 1139945. = 0.36667 Destroy NaCl : 417990. / 1140557. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.04673012 Potential at right wall /kT = -1.03859357 ------------------------------------------------------------------------ Potential at left wall /mV = 27.058852 Potential at right wall /mV = -26.8485153 ________________________________________________________________________ Capacitance of left DL = 0.0669789911 Capacitance of right DL = 0.0675037182 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9564829 Capacitance of right DL [F/m2] = 37.2460075 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.14281123 Adsorption of ion 1 on right wall = -5.06499952 Adsorption of ion 2 on left wall = -5.6137374 Adsorption of ion 2 on right wall = 6.85008387 ------------------------------------------------------------------------ net charge in left DL = -11.7565486 15.1059389 net charge in right DL = 11.9150834 -15.1059389 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.406648753 Relative adsorption of ion 1 on right wall = -0.335298556 Relative adsorption of ion 2 on left wall = -0.371624526 Relative adsorption of ion 2 on right wall = 0.453469586 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 385------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00731034488 Right electrode charge = -0.00731034488 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00531 Bulk concentration of Na = 1.00486 ________________________________________________________________________ Average electrode charge 1 = 0.0079228054 Average electrode charge 2 = -0.0079228054 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399700 -0.559757 -0.569904 ________________________________________________________________________ Electrode charge exchange: 0.0636774243 Move Jump Cl: 0.93402 0.36872 Na: 0.93390 0.36863 ________________________________________________________________________ Create NaCl : 423444. / 1154928. = 0.36664 Destroy NaCl : 423458. / 1155613. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.03650513 Potential at right wall /kT = -1.02693236 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7945276 Potential at right wall /mV = -26.5470632 ________________________________________________________________________ Capacitance of left DL = 0.0491085443 Capacitance of right DL = 0.0495663206 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3210536 Capacitance of right DL [F/m2] = 37.6689502 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.20735626 Adsorption of ion 1 on right wall = -5.04382036 Adsorption of ion 2 on left wall = -5.54773763 Adsorption of ion 2 on right wall = 6.84318272 ------------------------------------------------------------------------ net charge in left DL = -11.7550939 10.9673808 net charge in right DL = 11.8870031 -10.9673808 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.565983474 Relative adsorption of ion 1 on right wall = -0.459892883 Relative adsorption of ion 2 on left wall = -0.505839795 Relative adsorption of ion 2 on right wall = 0.623957795 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 390------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00911160379 Right electrode charge = -0.00911160379 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00513 Bulk concentration of Na = 1.00460 ________________________________________________________________________ Average electrode charge 1 = 0.00792626508 Average electrode charge 2 = -0.00792626508 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399261 -0.559757 -0.569466 ________________________________________________________________________ Electrode charge exchange: 0.0636711011 Move Jump Cl: 0.93405 0.36875 Na: 0.93385 0.36863 ________________________________________________________________________ Create NaCl : 428925. / 1169807. = 0.36666 Destroy NaCl : 428944. / 1170626. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.03262336 Potential at right wall /kT = -1.02395235 ------------------------------------------------------------------------ Potential at left wall /mV = 26.6941805 Potential at right wall /mV = -26.4700274 ________________________________________________________________________ Capacitance of left DL = 0.0614389143 Capacitance of right DL = 0.0619591904 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.4613486 Capacitance of right DL [F/m2] = 37.7785782 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.2239145 Adsorption of ion 1 on right wall = -4.99802481 Adsorption of ion 2 on left wall = -5.5223841 Adsorption of ion 2 on right wall = 6.90417359 ------------------------------------------------------------------------ net charge in left DL = -11.7462986 13.6697283 net charge in right DL = 11.9021984 -13.6697283 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.455306381 Relative adsorption of ion 1 on right wall = -0.365627225 Relative adsorption of ion 2 on left wall = -0.403986385 Relative adsorption of ion 2 on right wall = 0.505070288 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 395------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00683318054 Right electrode charge = -0.00683318054 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00504 Bulk concentration of Na = 1.00457 ________________________________________________________________________ Average electrode charge 1 = 0.00792738519 Average electrode charge 2 = -0.00792738519 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399135 -0.559757 -0.569340 ________________________________________________________________________ Electrode charge exchange: 0.0636860324 Move Jump Cl: 0.93412 0.36875 Na: 0.93379 0.36868 ________________________________________________________________________ Create NaCl : 434353. / 1184662. = 0.36665 Destroy NaCl : 434370. / 1185528. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.0532021 Potential at right wall /kT = -1.04511229 ------------------------------------------------------------------------ Potential at left wall /mV = 27.226158 Potential at right wall /mV = -27.0170297 ________________________________________________________________________ Capacitance of left DL = 0.045175382 Capacitance of right DL = 0.0455250671 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7293835 Capacitance of right DL [F/m2] = 37.0136915 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23212545 Adsorption of ion 1 on right wall = -4.98245409 Adsorption of ion 2 on left wall = -5.53915035 Adsorption of ion 2 on right wall = 6.9278178 ------------------------------------------------------------------------ net charge in left DL = -11.7712758 10.2515126 net charge in right DL = 11.9102719 -10.2515126 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.607922527 Relative adsorption of ion 1 on right wall = -0.486021358 Relative adsorption of ion 2 on left wall = -0.540325175 Relative adsorption of ion 2 on right wall = 0.675784936 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 400------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00849620927 Right electrode charge = -0.00849620927 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00507 Bulk concentration of Na = 1.00463 ________________________________________________________________________ Average electrode charge 1 = 0.00793805593 Average electrode charge 2 = -0.00793805593 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399230 -0.559757 -0.569434 ________________________________________________________________________ Electrode charge exchange: 0.0636640437 Move Jump Cl: 0.93410 0.36865 Na: 0.93382 0.36868 ________________________________________________________________________ Create NaCl : 439843. / 1199662. = 0.36664 Destroy NaCl : 439835. / 1200591. = 0.36635 ________________________________________________________________________ Potential at left wall /kT = 1.05318145 Potential at right wall /kT = -1.04251877 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2256243 Potential at right wall /mV = -26.9499851 ________________________________________________________________________ Capacitance of left DL = 0.0561710644 Capacitance of right DL = 0.056745571 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7301036 Capacitance of right DL [F/m2] = 37.1057719 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24342089 Adsorption of ion 1 on right wall = -4.99916349 Adsorption of ion 2 on left wall = -5.54655703 Adsorption of ion 2 on right wall = 6.92230234 ------------------------------------------------------------------------ net charge in left DL = -11.7899779 12.7464796 net charge in right DL = 11.9214658 -12.7464796 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.489815312 Relative adsorption of ion 1 on right wall = -0.392199543 Relative adsorption of ion 2 on left wall = -0.435144228 Relative adsorption of ion 2 on right wall = 0.543075621 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 405------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00698249233 Right electrode charge = -0.00698249233 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00529 Bulk concentration of Na = 1.00495 ________________________________________________________________________ Average electrode charge 1 = 0.00793446781 Average electrode charge 2 = -0.00793446781 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399764 -0.559757 -0.569969 ________________________________________________________________________ Electrode charge exchange: 0.0636469209 Move Jump Cl: 0.93407 0.36859 Na: 0.93381 0.36862 ________________________________________________________________________ Create NaCl : 445385. / 1214695. = 0.36666 Destroy NaCl : 445402. / 1215630. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.04620606 Potential at right wall /kT = -1.03515993 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0453046 Potential at right wall /mV = -26.7597529 ________________________________________________________________________ Capacitance of left DL = 0.0464712001 Capacitance of right DL = 0.0469670916 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9749949 Capacitance of right DL [F/m2] = 37.3695529 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.20560855 Adsorption of ion 1 on right wall = -4.9813468 Adsorption of ion 2 on left wall = -5.58945733 Adsorption of ion 2 on right wall = 6.91480584 ------------------------------------------------------------------------ net charge in left DL = -11.7950659 10.4755184 net charge in right DL = 11.8961526 -10.4755184 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.592391549 Relative adsorption of ion 1 on right wall = -0.475522702 Relative adsorption of ion 2 on left wall = -0.53357334 Relative adsorption of ion 2 on right wall = 0.660091997 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 410------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806488556 Right electrode charge = -0.00806488556 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00513 Bulk concentration of Na = 1.00478 ________________________________________________________________________ Average electrode charge 1 = 0.00793457146 Average electrode charge 2 = -0.00793457146 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399440 -0.559757 -0.569645 ________________________________________________________________________ Electrode charge exchange: 0.0636576105 Move Jump Cl: 0.93409 0.36861 Na: 0.93385 0.36870 ________________________________________________________________________ Create NaCl : 450946. / 1229681. = 0.36672 Destroy NaCl : 450956. / 1230654. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.04626619 Potential at right wall /kT = -1.03597989 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0468589 Potential at right wall /mV = -26.7809494 ________________________________________________________________________ Capacitance of left DL = 0.0536718632 Capacitance of right DL = 0.054204774 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.97287 Capacitance of right DL [F/m2] = 37.3399757 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.25114394 Adsorption of ion 1 on right wall = -4.9952713 Adsorption of ion 2 on left wall = -5.54495096 Adsorption of ion 2 on right wall = 6.90132282 ------------------------------------------------------------------------ net charge in left DL = -11.7960949 12.0993841 net charge in right DL = 11.8965941 -12.0993841 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.516649764 Relative adsorption of ion 1 on right wall = -0.412853353 Relative adsorption of ion 2 on left wall = -0.458283737 Relative adsorption of ion 2 on right wall = 0.57038629 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 415------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0105962415 Right electrode charge = -0.0105962415 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00503 Bulk concentration of Na = 1.00480 ________________________________________________________________________ Average electrode charge 1 = 0.00792958519 Average electrode charge 2 = -0.00792958519 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399356 -0.559757 -0.569561 ________________________________________________________________________ Electrode charge exchange: 0.063642231 Move Jump Cl: 0.93415 0.36862 Na: 0.93392 0.36885 ________________________________________________________________________ Create NaCl : 456420. / 1244704. = 0.36669 Destroy NaCl : 456410. / 1245481. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.03583315 Potential at right wall /kT = -1.02503777 ------------------------------------------------------------------------ Potential at left wall /mV = 26.7771562 Potential at right wall /mV = -26.4980866 ________________________________________________________________________ Capacitance of left DL = 0.0712283192 Capacitance of right DL = 0.0719784737 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.3452652 Capacitance of right DL [F/m2] = 37.7385739 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23840187 Adsorption of ion 1 on right wall = -4.98819412 Adsorption of ion 2 on left wall = -5.55927305 Adsorption of ion 2 on right wall = 6.87739683 ------------------------------------------------------------------------ net charge in left DL = -11.7976749 15.8970633 net charge in right DL = 11.8655909 -15.8970633 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.392424798 Relative adsorption of ion 1 on right wall = -0.313780854 Relative adsorption of ion 2 on left wall = -0.349704403 Relative adsorption of ion 2 on right wall = 0.432620584 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 420------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00737394523 Right electrode charge = -0.00737394523 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00488 Bulk concentration of Na = 1.00463 ________________________________________________________________________ Average electrode charge 1 = 0.00792719403 Average electrode charge 2 = -0.00792719403 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399047 -0.559757 -0.569251 ________________________________________________________________________ Electrode charge exchange: 0.063657281 Move Jump Cl: 0.93418 0.36863 Na: 0.93388 0.36887 ________________________________________________________________________ Create NaCl : 461973. / 1259793. = 0.36671 Destroy NaCl : 461994. / 1260480. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.03970732 Potential at right wall /kT = -1.02890828 ------------------------------------------------------------------------ Potential at left wall /mV = 26.8773068 Potential at right wall /mV = -26.5981426 ________________________________________________________________________ Capacitance of left DL = 0.049383226 Capacitance of right DL = 0.049901534 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.2061087 Capacitance of right DL [F/m2] = 37.5966102 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.21407879 Adsorption of ion 1 on right wall = -4.98011962 Adsorption of ion 2 on left wall = -5.57998921 Adsorption of ion 2 on right wall = 6.88761357 ------------------------------------------------------------------------ net charge in left DL = -11.794068 11.0627975 net charge in right DL = 11.8677332 -11.0627975 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.56170953 Relative adsorption of ion 1 on right wall = -0.450168199 Relative adsorption of ion 2 on left wall = -0.50439224 Relative adsorption of ion 2 on right wall = 0.622592393 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 425------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00833954194 Right electrode charge = -0.00833954194 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00478 Bulk concentration of Na = 1.00449 ________________________________________________________________________ Average electrode charge 1 = 0.00792933992 Average electrode charge 2 = -0.00792933992 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398798 -0.559757 -0.569003 ________________________________________________________________________ Electrode charge exchange: 0.0636412317 Move Jump Cl: 0.93413 0.36862 Na: 0.93388 0.36886 ________________________________________________________________________ Create NaCl : 467494. / 1274846. = 0.36671 Destroy NaCl : 467509. / 1275519. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.04270071 Potential at right wall /kT = -1.03342012 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9546884 Potential at right wall /mV = -26.7147774 ________________________________________________________________________ Capacitance of left DL = 0.0556894822 Capacitance of right DL = 0.0561895994 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0992973 Capacitance of right DL [F/m2] = 37.4324661 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24216525 Adsorption of ion 1 on right wall = -4.97782455 Adsorption of ion 2 on left wall = -5.55271698 Adsorption of ion 2 on right wall = 6.90110733 ------------------------------------------------------------------------ net charge in left DL = -11.7948822 12.5114387 net charge in right DL = 11.8789319 -12.5114387 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.498916663 Relative adsorption of ion 1 on right wall = -0.397861882 Relative adsorption of ion 2 on left wall = -0.443811229 Relative adsorption of ion 2 on right wall = 0.551583834 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 430------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00777926603 Right electrode charge = -0.00777926603 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00482 Bulk concentration of Na = 1.00447 ________________________________________________________________________ Average electrode charge 1 = 0.00793151749 Average electrode charge 2 = -0.00793151749 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398820 -0.559757 -0.569024 ________________________________________________________________________ Electrode charge exchange: 0.0636490938 Move Jump Cl: 0.93412 0.36876 Na: 0.93395 0.36878 ________________________________________________________________________ Create NaCl : 472992. / 1289762. = 0.36673 Destroy NaCl : 472993. / 1290702. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.05035931 Potential at right wall /kT = -1.04102148 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1526696 Potential at right wall /mV = -26.9112788 ________________________________________________________________________ Capacitance of left DL = 0.051569318 Capacitance of right DL = 0.0520318883 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8287913 Capacitance of right DL [F/m2] = 37.1591409 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23729739 Adsorption of ion 1 on right wall = -5.01844234 Adsorption of ion 2 on left wall = -5.55747733 Adsorption of ion 2 on right wall = 6.87724573 ------------------------------------------------------------------------ net charge in left DL = -11.7947747 11.670882 net charge in right DL = 11.8956881 -11.670882 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.534432392 Relative adsorption of ion 1 on right wall = -0.429996836 Relative adsorption of ion 2 on left wall = -0.476183147 Relative adsorption of ion 2 on right wall = 0.589265295 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 435------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00779364798 Right electrode charge = -0.00779364798 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00487 Bulk concentration of Na = 1.00452 ________________________________________________________________________ Average electrode charge 1 = 0.00793312424 Average electrode charge 2 = -0.00793312424 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398926 -0.559757 -0.569131 ________________________________________________________________________ Electrode charge exchange: 0.0636474421 Move Jump Cl: 0.93408 0.36869 Na: 0.93396 0.36877 ________________________________________________________________________ Create NaCl : 478466. / 1304747. = 0.36671 Destroy NaCl : 478466. / 1305750. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.05593405 Potential at right wall /kT = -1.04633318 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2967814 Potential at right wall /mV = -27.0485908 ________________________________________________________________________ Capacitance of left DL = 0.0513918963 Capacitance of right DL = 0.0518634545 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6343557 Capacitance of right DL [F/m2] = 36.9705027 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.2419409 Adsorption of ion 1 on right wall = -5.06166868 Adsorption of ion 2 on left wall = -5.55872118 Adsorption of ion 2 on right wall = 6.84102977 ------------------------------------------------------------------------ net charge in left DL = -11.8006621 11.6924586 net charge in right DL = 11.9026985 -11.6924586 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533843318 Relative adsorption of ion 1 on right wall = -0.432900286 Relative adsorption of ion 2 on left wall = -0.475410807 Relative adsorption of ion 2 on right wall = 0.585080521 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 440------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00690940835 Right electrode charge = -0.00690940835 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00493 Bulk concentration of Na = 1.00459 ________________________________________________________________________ Average electrode charge 1 = 0.00792882156 Average electrode charge 2 = -0.00792882156 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.399049 -0.559757 -0.569254 ________________________________________________________________________ Electrode charge exchange: 0.0636479469 Move Jump Cl: 0.93412 0.36865 Na: 0.93396 0.36872 ________________________________________________________________________ Create NaCl : 484037. / 1319953. = 0.36671 Destroy NaCl : 484029. / 1320603. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.04684484 Potential at right wall /kT = -1.03940967 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0618176 Potential at right wall /mV = -26.8696123 ________________________________________________________________________ Capacitance of left DL = 0.0459567382 Capacitance of right DL = 0.0462854787 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9524329 Capacitance of right DL [F/m2] = 37.2167632 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.21699707 Adsorption of ion 1 on right wall = -5.05641751 Adsorption of ion 2 on left wall = -5.57339476 Adsorption of ion 2 on right wall = 6.83250581 ------------------------------------------------------------------------ net charge in left DL = -11.7903918 10.3658738 net charge in right DL = 11.8889233 -10.3658738 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.599756201 Relative adsorption of ion 1 on right wall = -0.487794625 Relative adsorption of ion 2 on left wall = -0.537667628 Relative adsorption of ion 2 on right wall = 0.659134576 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 445------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00995373962 Right electrode charge = -0.00995373962 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00479 Bulk concentration of Na = 1.00454 ________________________________________________________________________ Average electrode charge 1 = 0.00792705826 Average electrode charge 2 = -0.00792705826 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398862 -0.559757 -0.569066 ________________________________________________________________________ Electrode charge exchange: 0.063647463 Move Jump Cl: 0.93413 0.36866 Na: 0.93395 0.36875 ________________________________________________________________________ Create NaCl : 489651. / 1334956. = 0.36679 Destroy NaCl : 489664. / 1335640. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.04125379 Potential at right wall /kT = -1.03465357 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9172844 Potential at right wall /mV = -26.746663 ________________________________________________________________________ Capacitance of left DL = 0.0665610757 Capacitance of right DL = 0.0669856799 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1508502 Capacitance of right DL [F/m2] = 37.3878417 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23305667 Adsorption of ion 1 on right wall = -5.06913752 Adsorption of ion 2 on left wall = -5.56499745 Adsorption of ion 2 on right wall = 6.79976678 ------------------------------------------------------------------------ net charge in left DL = -11.7980541 14.9331467 net charge in right DL = 11.8689043 -14.9331467 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.417397405 Relative adsorption of ion 1 on right wall = -0.339455416 Relative adsorption of ion 2 on left wall = -0.372660737 Relative adsorption of ion 2 on right wall = 0.455347217 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 450------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0103551204 Right electrode charge = -0.0103551204 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00468 Bulk concentration of Na = 1.00446 ________________________________________________________________________ Average electrode charge 1 = 0.00793266171 Average electrode charge 2 = -0.00793266171 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398676 -0.559757 -0.568880 ________________________________________________________________________ Electrode charge exchange: 0.0636323011 Move Jump Cl: 0.93416 0.36864 Na: 0.93402 0.36871 ________________________________________________________________________ Create NaCl : 495105. / 1349847. = 0.36679 Destroy NaCl : 495096. / 1350717. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.05197213 Potential at right wall /kT = -1.04483959 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1943624 Potential at right wall /mV = -27.0099803 ________________________________________________________________________ Capacitance of left DL = 0.0685396007 Capacitance of right DL = 0.0690074823 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7723275 Capacitance of right DL [F/m2] = 37.0233517 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24447205 Adsorption of ion 1 on right wall = -5.07428481 Adsorption of ion 2 on left wall = -5.57279502 Adsorption of ion 2 on right wall = 6.80640553 ------------------------------------------------------------------------ net charge in left DL = -11.8172671 15.5353201 net charge in right DL = 11.8806903 -15.5353201 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.401953226 Relative adsorption of ion 1 on right wall = -0.326628918 Relative adsorption of ion 2 on left wall = -0.358717746 Relative adsorption of ion 2 on right wall = 0.438124575 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 455------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00666994992 Right electrode charge = -0.00666994992 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00471 Bulk concentration of Na = 1.00442 ________________________________________________________________________ Average electrode charge 1 = 0.00793534147 Average electrode charge 2 = -0.00793534147 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398663 -0.559757 -0.568867 ________________________________________________________________________ Electrode charge exchange: 0.0636151135 Move Jump Cl: 0.93414 0.36859 Na: 0.93402 0.36869 ________________________________________________________________________ Create NaCl : 500562. / 1364814. = 0.36676 Destroy NaCl : 500566. / 1365848. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.04764031 Potential at right wall /kT = -1.04226594 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0823812 Potential at right wall /mV = -26.9434492 ________________________________________________________________________ Capacitance of left DL = 0.0443303363 Capacitance of right DL = 0.0445589225 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9243751 Capacitance of right DL [F/m2] = 37.114773 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.27170991 Adsorption of ion 1 on right wall = -5.09629907 Adsorption of ion 2 on left wall = -5.53555387 Adsorption of ion 2 on right wall = 6.79729906 ------------------------------------------------------------------------ net charge in left DL = -11.8072638 10.0066251 net charge in right DL = 11.8935981 -10.0066251 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.62675576 Relative adsorption of ion 1 on right wall = -0.509292496 Relative adsorption of ion 2 on left wall = -0.553188894 Relative adsorption of ion 2 on right wall = 0.679279878 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 460------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00520278506 Right electrode charge = -0.00520278506 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00459 Bulk concentration of Na = 1.00437 ________________________________________________________________________ Average electrode charge 1 = 0.0079323013 Average electrode charge 2 = -0.0079323013 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398495 -0.559757 -0.568700 ________________________________________________________________________ Electrode charge exchange: 0.0636181339 Move Jump Cl: 0.93418 0.36867 Na: 0.93404 0.36879 ________________________________________________________________________ Create NaCl : 506031. / 1379648. = 0.36678 Destroy NaCl : 506056. / 1380950. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.04998921 Potential at right wall /kT = -1.04400143 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1431022 Potential at right wall /mV = -26.9883131 ________________________________________________________________________ Capacitance of left DL = 0.0345017959 Capacitance of right DL = 0.0346996779 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8417727 Capacitance of right DL [F/m2] = 37.0530754 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.2557352 Adsorption of ion 1 on right wall = -5.08139723 Adsorption of ion 2 on left wall = -5.56034651 Adsorption of ion 2 on right wall = 6.79800294 ------------------------------------------------------------------------ net charge in left DL = -11.8160817 7.8055038 net charge in right DL = 11.8794002 -7.8055038 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.801451817 Relative adsorption of ion 1 on right wall = -0.651001826 Relative adsorption of ion 2 on left wall = -0.712362284 Relative adsorption of ion 2 on right wall = 0.870924302 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 465------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.010432934 Right electrode charge = -0.010432934 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00453 Bulk concentration of Na = 1.00429 ________________________________________________________________________ Average electrode charge 1 = 0.00792501583 Average electrode charge 2 = -0.00792501583 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398360 -0.559757 -0.568564 ________________________________________________________________________ Electrode charge exchange: 0.0636278203 Move Jump Cl: 0.93420 0.36878 Na: 0.93408 0.36881 ________________________________________________________________________ Create NaCl : 511654. / 1394731. = 0.36685 Destroy NaCl : 511663. / 1395964. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.04133665 Potential at right wall /kT = -1.03478381 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9194263 Potential at right wall /mV = -26.7500298 ________________________________________________________________________ Capacitance of left DL = 0.0697599177 Capacitance of right DL = 0.0702016774 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.1478942 Capacitance of right DL [F/m2] = 37.3831359 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.22163227 Adsorption of ion 1 on right wall = -5.07481827 Adsorption of ion 2 on left wall = -5.57422393 Adsorption of ion 2 on right wall = 6.79118252 ------------------------------------------------------------------------ net charge in left DL = -11.7958562 15.6520604 net charge in right DL = 11.8660008 -15.6520604 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.397496055 Relative adsorption of ion 1 on right wall = -0.324226852 Relative adsorption of ion 2 on left wall = -0.356133556 Relative adsorption of ion 2 on right wall = 0.433884252 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 470------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00847853223 Right electrode charge = -0.00847853223 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00456 Bulk concentration of Na = 1.00431 ________________________________________________________________________ Average electrode charge 1 = 0.00791825602 Average electrode charge 2 = -0.00791825602 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398411 -0.559757 -0.568616 ________________________________________________________________________ Electrode charge exchange: 0.0636226338 Move Jump Cl: 0.93417 0.36878 Na: 0.93407 0.36885 ________________________________________________________________________ Create NaCl : 517160. / 1409807. = 0.36683 Destroy NaCl : 517176. / 1410880. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.04308782 Potential at right wall /kT = -1.03679663 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9646956 Potential at right wall /mV = -26.8020629 ________________________________________________________________________ Capacitance of left DL = 0.0565966144 Capacitance of right DL = 0.0569400379 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.085529 Capacitance of right DL [F/m2] = 37.3105609 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23489654 Adsorption of ion 1 on right wall = -5.10242385 Adsorption of ion 2 on left wall = -5.55104689 Adsorption of ion 2 on right wall = 6.75695967 ------------------------------------------------------------------------ net charge in left DL = -11.7859434 12.7199596 net charge in right DL = 11.8593835 -12.7199596 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490166381 Relative adsorption of ion 1 on right wall = -0.401135226 Relative adsorption of ion 2 on left wall = -0.436404445 Relative adsorption of ion 2 on right wall = 0.53120921 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 475------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00656780577 Right electrode charge = -0.00656780577 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00465 Bulk concentration of Na = 1.00437 ________________________________________________________________________ Average electrode charge 1 = 0.00792252276 Average electrode charge 2 = -0.00792252276 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398554 -0.559757 -0.568758 ________________________________________________________________________ Electrode charge exchange: 0.0636162638 Move Jump Cl: 0.93415 0.36878 Na: 0.93405 0.36888 ________________________________________________________________________ Create NaCl : 522642. / 1424732. = 0.36684 Destroy NaCl : 522655. / 1425951. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.04561359 Potential at right wall /kT = -1.03988806 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0299888 Potential at right wall /mV = -26.8819789 ________________________________________________________________________ Capacitance of left DL = 0.0437360678 Capacitance of right DL = 0.0439768749 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9959458 Capacitance of right DL [F/m2] = 37.1996423 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.25138377 Adsorption of ion 1 on right wall = -5.10222219 Adsorption of ion 2 on left wall = -5.53930717 Adsorption of ion 2 on right wall = 6.76901529 ------------------------------------------------------------------------ net charge in left DL = -11.7906909 9.85338282 net charge in right DL = 11.8712375 -9.85338282 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.634440363 Relative adsorption of ion 1 on right wall = -0.517814266 Relative adsorption of ion 2 on left wall = -0.562173141 Relative adsorption of ion 2 on right wall = 0.686973744 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 480------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00667516359 Right electrode charge = -0.00667516359 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00481 Bulk concentration of Na = 1.00447 ________________________________________________________________________ Average electrode charge 1 = 0.00792393508 Average electrode charge 2 = -0.00792393508 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398810 -0.559757 -0.569014 ________________________________________________________________________ Electrode charge exchange: 0.0636137943 Move Jump Cl: 0.93415 0.36880 Na: 0.93406 0.36883 ________________________________________________________________________ Create NaCl : 528117. / 1439759. = 0.36681 Destroy NaCl : 528133. / 1440732. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.04408595 Potential at right wall /kT = -1.03820188 ------------------------------------------------------------------------ Potential at left wall /mV = 26.990498 Potential at right wall /mV = -26.8383899 ________________________________________________________________________ Capacitance of left DL = 0.0445160186 Capacitance of right DL = 0.0447683157 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.050076 Capacitance of right DL [F/m2] = 37.2600594 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24549433 Adsorption of ion 1 on right wall = -5.10810255 Adsorption of ion 2 on left wall = -5.53576296 Adsorption of ion 2 on right wall = 6.77438149 ------------------------------------------------------------------------ net charge in left DL = -11.7812573 10.0144469 net charge in right DL = 11.882484 -10.0144469 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.623648453 Relative adsorption of ion 1 on right wall = -0.510073356 Relative adsorption of ion 2 on left wall = -0.552777703 Relative adsorption of ion 2 on right wall = 0.676460872 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 485------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00996892134 Right electrode charge = -0.00996892134 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00457 Bulk concentration of Na = 1.00424 ________________________________________________________________________ Average electrode charge 1 = 0.00792476981 Average electrode charge 2 = -0.00792476981 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398341 -0.559757 -0.568545 ________________________________________________________________________ Electrode charge exchange: 0.0636197123 Move Jump Cl: 0.93410 0.36880 Na: 0.93409 0.36885 ________________________________________________________________________ Create NaCl : 533668. / 1454515. = 0.36690 Destroy NaCl : 533671. / 1455845. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.04737345 Potential at right wall /kT = -1.0425166 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0754827 Potential at right wall /mV = -26.9499289 ________________________________________________________________________ Capacitance of left DL = 0.0662730961 Capacitance of right DL = 0.0665818479 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9337829 Capacitance of right DL [F/m2] = 37.1058493 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.26708261 Adsorption of ion 1 on right wall = -5.09553113 Adsorption of ion 2 on left wall = -5.51944254 Adsorption of ion 2 on right wall = 6.78919938 ------------------------------------------------------------------------ net charge in left DL = -11.7865252 14.9559231 net charge in right DL = 11.8847305 -14.9559231 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.419036829 Relative adsorption of ion 1 on right wall = -0.340703218 Relative adsorption of ion 2 on left wall = -0.369047266 Relative adsorption of ion 2 on right wall = 0.453947197 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 490------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0062308995 Right electrode charge = -0.0062308995 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00450 Bulk concentration of Na = 1.00414 ________________________________________________________________________ Average electrode charge 1 = 0.00792134952 Average electrode charge 2 = -0.00792134952 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398180 -0.559757 -0.568384 ________________________________________________________________________ Electrode charge exchange: 0.0636110571 Move Jump Cl: 0.93410 0.36888 Na: 0.93408 0.36884 ________________________________________________________________________ Create NaCl : 539209. / 1469497. = 0.36693 Destroy NaCl : 539199. / 1471054. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.04389151 Potential at right wall /kT = -1.03897497 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9854716 Potential at right wall /mV = -26.8583749 ________________________________________________________________________ Capacitance of left DL = 0.0415610044 Capacitance of right DL = 0.0417576754 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.056977 Capacitance of right DL [F/m2] = 37.2323345 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.24687816 Adsorption of ion 1 on right wall = -5.11735262 Adsorption of ion 2 on left wall = -5.52851378 Adsorption of ion 2 on right wall = 6.7640051 ------------------------------------------------------------------------ net charge in left DL = -11.7753919 9.34793754 net charge in right DL = 11.8813577 -9.34793754 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.668262719 Relative adsorption of ion 1 on right wall = -0.547431196 Relative adsorption of ion 2 on left wall = -0.591415353 Relative adsorption of ion 2 on right wall = 0.723582616 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 495------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00658026378 Right electrode charge = -0.00658026378 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00447 Bulk concentration of Na = 1.00405 ________________________________________________________________________ Average electrode charge 1 = 0.00791863128 Average electrode charge 2 = -0.00791863128 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398053 -0.559757 -0.568257 ________________________________________________________________________ Electrode charge exchange: 0.063617531 Move Jump Cl: 0.93410 0.36885 Na: 0.93411 0.36883 ________________________________________________________________________ Create NaCl : 544782. / 1484624. = 0.36695 Destroy NaCl : 544792. / 1486212. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.04659668 Potential at right wall /kT = -1.04112402 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0554026 Potential at right wall /mV = -26.9139295 ________________________________________________________________________ Capacitance of left DL = 0.0437778674 Capacitance of right DL = 0.0440079858 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9611946 Capacitance of right DL [F/m2] = 37.1554811 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.22097298 Adsorption of ion 1 on right wall = -5.11984823 Adsorption of ion 2 on left wall = -5.5441912 Adsorption of ion 2 on right wall = 6.76724685 ------------------------------------------------------------------------ net charge in left DL = -11.7651642 9.87207301 net charge in right DL = 11.8870951 -9.87207301 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.63015873 Relative adsorption of ion 1 on right wall = -0.518619364 Relative adsorption of ion 2 on left wall = -0.561603545 Relative adsorption of ion 2 on right wall = 0.685494004 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 500------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00867287198 Right electrode charge = -0.00867287198 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00449 Bulk concentration of Na = 1.00406 ________________________________________________________________________ Average electrode charge 1 = 0.00791518496 Average electrode charge 2 = -0.00791518496 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398081 -0.559757 -0.568286 ________________________________________________________________________ Electrode charge exchange: 0.0636322649 Move Jump Cl: 0.93408 0.36887 Na: 0.93408 0.36884 ________________________________________________________________________ Create NaCl : 550347. / 1499569. = 0.36700 Destroy NaCl : 550373. / 1501247. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.05072962 Potential at right wall /kT = -1.04356086 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1622424 Potential at right wall /mV = -26.976924 ________________________________________________________________________ Capacitance of left DL = 0.0574728341 Capacitance of right DL = 0.0578676446 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8158116 Capacitance of right DL [F/m2] = 37.0687184 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.2041814 Adsorption of ion 1 on right wall = -5.16608494 Adsorption of ion 2 on left wall = -5.5561078 Adsorption of ion 2 on right wall = 6.71993754 ------------------------------------------------------------------------ net charge in left DL = -11.7602892 13.0115187 net charge in right DL = 11.8860225 -13.0115187 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.476822232 Relative adsorption of ion 1 on right wall = -0.39703935 Relative adsorption of ion 2 on left wall = -0.427014549 Relative adsorption of ion 2 on right wall = 0.516460659 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 505------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0072975301 Right electrode charge = -0.0072975301 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00468 Bulk concentration of Na = 1.00432 ________________________________________________________________________ Average electrode charge 1 = 0.00791203802 Average electrode charge 2 = -0.00791203802 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398525 -0.559757 -0.568730 ________________________________________________________________________ Electrode charge exchange: 0.0636292935 Move Jump Cl: 0.93411 0.36884 Na: 0.93406 0.36884 ________________________________________________________________________ Create NaCl : 555806. / 1514581. = 0.36697 Destroy NaCl : 555818. / 1516178. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.0510217 Potential at right wall /kT = -1.04236318 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1697929 Potential at right wall /mV = -26.945963 ________________________________________________________________________ Capacitance of left DL = 0.0483453676 Capacitance of right DL = 0.0487469542 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8055806 Capacitance of right DL [F/m2] = 37.1113105 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.20545729 Adsorption of ion 1 on right wall = -5.16125706 Adsorption of ion 2 on left wall = -5.56059134 Adsorption of ion 2 on right wall = 6.71046361 ------------------------------------------------------------------------ net charge in left DL = -11.7660486 10.9481553 net charge in right DL = 11.8717207 -10.9481553 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566803915 Relative adsorption of ion 1 on right wall = -0.471427095 Relative adsorption of ion 2 on left wall = -0.507902124 Relative adsorption of ion 2 on right wall = 0.612930983 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 510------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00714129955 Right electrode charge = -0.00714129955 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00458 Bulk concentration of Na = 1.00423 ________________________________________________________________________ Average electrode charge 1 = 0.00790708427 Average electrode charge 2 = -0.00790708427 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398350 -0.559757 -0.568555 ________________________________________________________________________ Electrode charge exchange: 0.0636461053 Move Jump Cl: 0.93412 0.36885 Na: 0.93405 0.36886 ________________________________________________________________________ Create NaCl : 561316. / 1529585. = 0.36697 Destroy NaCl : 561312. / 1531290. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.0504706 Potential at right wall /kT = -1.04219102 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1555466 Potential at right wall /mV = -26.9415124 ________________________________________________________________________ Capacitance of left DL = 0.0473351765 Capacitance of right DL = 0.0477112261 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8248894 Capacitance of right DL [F/m2] = 37.1174411 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.23268832 Adsorption of ion 1 on right wall = -5.19051789 Adsorption of ion 2 on left wall = -5.52746906 Adsorption of ion 2 on right wall = 6.67216754 ------------------------------------------------------------------------ net charge in left DL = -11.7601574 10.7137697 net charge in right DL = 11.8626854 -10.7137697 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.581745596 Relative adsorption of ion 1 on right wall = -0.48447167 Relative adsorption of ion 2 on left wall = -0.515921961 Relative adsorption of ion 2 on right wall = 0.622765631 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 515------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00508234109 Right electrode charge = -0.00508234109 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00468 Bulk concentration of Na = 1.00434 ________________________________________________________________________ Average electrode charge 1 = 0.0079078873 Average electrode charge 2 = -0.0079078873 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398556 -0.559757 -0.568760 ________________________________________________________________________ Electrode charge exchange: 0.063661161 Move Jump Cl: 0.93411 0.36888 Na: 0.93400 0.36888 ________________________________________________________________________ Create NaCl : 566796. / 1544582. = 0.36696 Destroy NaCl : 566791. / 1546211. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.0439656 Potential at right wall /kT = -1.0360302 ------------------------------------------------------------------------ Potential at left wall /mV = 26.9873868 Potential at right wall /mV = -26.7822502 ________________________________________________________________________ Capacitance of left DL = 0.0338975471 Capacitance of right DL = 0.0341571828 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0543472 Capacitance of right DL [F/m2] = 37.3381621 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.20933948 Adsorption of ion 1 on right wall = -5.19515162 Adsorption of ion 2 on left wall = -5.54924859 Adsorption of ion 2 on right wall = 6.66261176 ------------------------------------------------------------------------ net charge in left DL = -11.7585881 7.62480714 net charge in right DL = 11.8577634 -7.62480714 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.814360202 Relative adsorption of ion 1 on right wall = -0.681348593 Relative adsorption of ion 2 on left wall = -0.727788715 Relative adsorption of ion 2 on right wall = 0.873807251 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 520------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00735515613 Right electrode charge = -0.00735515613 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00462 Bulk concentration of Na = 1.00427 ________________________________________________________________________ Average electrode charge 1 = 0.00789973608 Average electrode charge 2 = -0.00789973608 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398417 -0.559757 -0.568621 ________________________________________________________________________ Electrode charge exchange: 0.0636527356 Move Jump Cl: 0.93417 0.36889 Na: 0.93402 0.36892 ________________________________________________________________________ Create NaCl : 572328. / 1559656. = 0.36696 Destroy NaCl : 572336. / 1561300. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.04482247 Potential at right wall /kT = -1.03623704 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0095376 Potential at right wall /mV = -26.787597 ________________________________________________________________________ Capacitance of left DL = 0.0490162458 Capacitance of right DL = 0.0494223552 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 37.0239585 Capacitance of right DL [F/m2] = 37.3307094 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.18238931 Adsorption of ion 1 on right wall = -5.18366854 Adsorption of ion 2 on left wall = -5.56306422 Adsorption of ion 2 on right wall = 6.66518722 ------------------------------------------------------------------------ net charge in left DL = -11.7454535 11.0346091 net charge in right DL = 11.8488558 -11.0346091 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.560272619 Relative adsorption of ion 1 on right wall = -0.469764585 Relative adsorption of ion 2 on left wall = -0.504146925 Relative adsorption of ion 2 on right wall = 0.604025678 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 525------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00764286508 Right electrode charge = -0.00764286508 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00450 Bulk concentration of Na = 1.00409 ________________________________________________________________________ Average electrode charge 1 = 0.00790616014 Average electrode charge 2 = -0.00790616014 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398125 -0.559757 -0.568330 ________________________________________________________________________ Electrode charge exchange: 0.0636468517 Move Jump Cl: 0.93419 0.36892 Na: 0.93402 0.36892 ________________________________________________________________________ Create NaCl : 577851. / 1574541. = 0.36700 Destroy NaCl : 577854. / 1576339. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.05448699 Potential at right wall /kT = -1.04584525 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2593737 Potential at right wall /mV = -27.0359774 ________________________________________________________________________ Capacitance of left DL = 0.0504667827 Capacitance of right DL = 0.0508837859 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6846286 Capacitance of right DL [F/m2] = 36.987751 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.22167684 Adsorption of ion 1 on right wall = -5.17971697 Adsorption of ion 2 on left wall = -5.53246445 Adsorption of ion 2 on right wall = 6.69233698 ------------------------------------------------------------------------ net charge in left DL = -11.7541413 11.4662458 net charge in right DL = 11.8720539 -11.4662458 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.542608012 Relative adsorption of ion 1 on right wall = -0.451736083 Relative adsorption of ion 2 on left wall = -0.482500073 Relative adsorption of ion 2 on right wall = 0.58365546 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 530------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.008523367 Right electrode charge = -0.008523367 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00468 Bulk concentration of Na = 1.00425 ________________________________________________________________________ Average electrode charge 1 = 0.00790476419 Average electrode charge 2 = -0.00790476419 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398462 -0.559757 -0.568666 ________________________________________________________________________ Electrode charge exchange: 0.0636386344 Move Jump Cl: 0.93422 0.36889 Na: 0.93404 0.36897 ________________________________________________________________________ Create NaCl : 583360. / 1589569. = 0.36699 Destroy NaCl : 583367. / 1591308. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.059618 Potential at right wall /kT = -1.050417 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3920145 Potential at right wall /mV = -27.1541609 ________________________________________________________________________ Capacitance of left DL = 0.0560083159 Capacitance of right DL = 0.0564989141 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.50699 Capacitance of right DL [F/m2] = 36.8267686 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.20347619 Adsorption of ion 1 on right wall = -5.20514441 Adsorption of ion 2 on left wall = -5.54901428 Adsorption of ion 2 on right wall = 6.67260977 ------------------------------------------------------------------------ net charge in left DL = -11.7524905 12.7872232 net charge in right DL = 11.8777542 -12.7872232 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.485130831 Relative adsorption of ion 1 on right wall = -0.407058229 Relative adsorption of ion 2 on left wall = -0.433949906 Relative adsorption of ion 2 on right wall = 0.521818513 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 535------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00861857243 Right electrode charge = -0.00861857243 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00461 Bulk concentration of Na = 1.00416 ________________________________________________________________________ Average electrode charge 1 = 0.00790102521 Average electrode charge 2 = -0.00790102521 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398311 -0.559757 -0.568516 ________________________________________________________________________ Electrode charge exchange: 0.0636382972 Move Jump Cl: 0.93427 0.36889 Na: 0.93402 0.36900 ________________________________________________________________________ Create NaCl : 588841. / 1604543. = 0.36698 Destroy NaCl : 588846. / 1606223. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.06357725 Potential at right wall /kT = -1.0543631 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4943645 Potential at right wall /mV = -27.2561709 ________________________________________________________________________ Capacitance of left DL = 0.0564231008 Capacitance of right DL = 0.0569161862 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3710899 Capacitance of right DL [F/m2] = 36.6889393 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.21624156 Adsorption of ion 1 on right wall = -5.22157027 Adsorption of ion 2 on left wall = -5.53070477 Adsorption of ion 2 on right wall = 6.65672794 ------------------------------------------------------------------------ net charge in left DL = -11.7469463 12.9300556 net charge in right DL = 11.8782982 -12.9300556 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.480759076 Relative adsorption of ion 1 on right wall = -0.403832006 Relative adsorption of ion 2 on left wall = -0.427740217 Relative adsorption of ion 2 on right wall = 0.514825934 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 540------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00667214047 Right electrode charge = -0.00667214047 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00436 Bulk concentration of Na = 1.00395 ________________________________________________________________________ Average electrode charge 1 = 0.00790018687 Average electrode charge 2 = -0.00790018687 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397842 -0.559757 -0.568047 ________________________________________________________________________ Electrode charge exchange: 0.0636488942 Move Jump Cl: 0.93430 0.36887 Na: 0.93406 0.36898 ________________________________________________________________________ Create NaCl : 594322. / 1619519. = 0.36697 Destroy NaCl : 594316. / 1621355. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.06770113 Potential at right wall /kT = -1.05764478 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6009703 Potential at right wall /mV = -27.3410052 ________________________________________________________________________ Capacitance of left DL = 0.0435117079 Capacitance of right DL = 0.043925428 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2306104 Capacitance of right DL [F/m2] = 36.5751 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.26362913 Adsorption of ion 1 on right wall = -5.19321547 Adsorption of ion 2 on left wall = -5.49003134 Adsorption of ion 2 on right wall = 6.68120832 ------------------------------------------------------------------------ net charge in left DL = -11.7536605 10.0099115 net charge in right DL = 11.8744238 -10.0099115 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.62574271 Relative adsorption of ion 1 on right wall = -0.518807333 Relative adsorption of ion 2 on left wall = -0.548459531 Relative adsorption of ion 2 on right wall = 0.667459282 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 545------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00783047015 Right electrode charge = -0.00783047015 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 280 -1.00 3.0000 1.5000 Na ion: 280 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00445 Bulk concentration of Na = 1.00405 ________________________________________________________________________ Average electrode charge 1 = 0.0078989484 Average electrode charge 2 = -0.0078989484 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398034 -0.559757 -0.568238 ________________________________________________________________________ Electrode charge exchange: 0.0636723483 Move Jump Cl: 0.93429 0.36886 Na: 0.93406 0.36898 ________________________________________________________________________ Create NaCl : 599822. / 1634607. = 0.36695 Destroy NaCl : 599842. / 1636370. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.07962924 Potential at right wall /kT = -1.06966468 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9093218 Potential at right wall /mV = -27.6517297 ________________________________________________________________________ Capacitance of left DL = 0.0505014507 Capacitance of right DL = 0.0509719015 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.8303224 Capacitance of right DL [F/m2] = 36.164103 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.27932503 Adsorption of ion 1 on right wall = -5.21121702 Adsorption of ion 2 on left wall = -5.48402752 Adsorption of ion 2 on right wall = 6.66760688 ------------------------------------------------------------------------ net charge in left DL = -11.7633526 11.7477012 net charge in right DL = 11.8788239 -11.7477012 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.534515213 Relative adsorption of ion 1 on right wall = -0.443594615 Relative adsorption of ion 2 on left wall = -0.466817074 Relative adsorption of ion 2 on right wall = 0.567566942 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 550------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00600326843 Right electrode charge = -0.00600326843 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00449 Bulk concentration of Na = 1.00413 ________________________________________________________________________ Average electrode charge 1 = 0.00790742741 Average electrode charge 2 = -0.00790742741 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398161 -0.559757 -0.568366 ________________________________________________________________________ Electrode charge exchange: 0.0636796701 Move Jump Cl: 0.93428 0.36884 Na: 0.93407 0.36899 ________________________________________________________________________ Create NaCl : 605274. / 1649743. = 0.36689 Destroy NaCl : 605265. / 1651446. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.08086418 Potential at right wall /kT = -1.07108512 ------------------------------------------------------------------------ Potential at left wall /mV = 27.941246 Potential at right wall /mV = -27.6884493 ________________________________________________________________________ Capacitance of left DL = 0.0386729492 Capacitance of right DL = 0.0390260349 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7893846 Capacitance of right DL [F/m2] = 36.1161432 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.28173906 Adsorption of ion 1 on right wall = -5.21155352 Adsorption of ion 2 on left wall = -5.49987299 Adsorption of ion 2 on right wall = 6.67523353 ------------------------------------------------------------------------ net charge in left DL = -11.781612 9.00643291 net charge in right DL = 11.886787 -9.00643291 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.697472476 Relative adsorption of ion 1 on right wall = -0.578647903 Relative adsorption of ion 2 on left wall = -0.610660518 Relative adsorption of ion 2 on right wall = 0.741162855 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 555------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00831528501 Right electrode charge = -0.00831528501 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00446 Bulk concentration of Na = 1.00411 ________________________________________________________________________ Average electrode charge 1 = 0.00790347188 Average electrode charge 2 = -0.00790347188 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398101 -0.559757 -0.568306 ________________________________________________________________________ Electrode charge exchange: 0.0636942205 Move Jump Cl: 0.93424 0.36884 Na: 0.93412 0.36901 ________________________________________________________________________ Create NaCl : 610767. / 1664783. = 0.36687 Destroy NaCl : 610792. / 1666377. = 0.36654 ________________________________________________________________________ Potential at left wall /kT = 1.07929576 Potential at right wall /kT = -1.07056923 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9007012 Potential at right wall /mV = -27.6751131 ________________________________________________________________________ Capacitance of left DL = 0.0536447617 Capacitance of right DL = 0.0540820362 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.8413931 Capacitance of right DL [F/m2] = 36.133547 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.29766701 Adsorption of ion 1 on right wall = -5.2117962 Adsorption of ion 2 on left wall = -5.47862107 Adsorption of ion 2 on right wall = 6.66729469 ------------------------------------------------------------------------ net charge in left DL = -11.7762881 12.4750471 net charge in right DL = 11.8790909 -12.4750471 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.5048211 Relative adsorption of ion 1 on right wall = -0.417777677 Relative adsorption of ion 2 on left wall = -0.439166363 Relative adsorption of ion 2 on right wall = 0.534450462 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 560------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00708449484 Right electrode charge = -0.00708449484 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00436 Bulk concentration of Na = 1.00401 ________________________________________________________________________ Average electrode charge 1 = 0.00790521943 Average electrode charge 2 = -0.00790521943 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397903 -0.559757 -0.568108 ________________________________________________________________________ Electrode charge exchange: 0.0636965141 Move Jump Cl: 0.93428 0.36882 Na: 0.93417 0.36908 ________________________________________________________________________ Create NaCl : 616222. / 1679791. = 0.36684 Destroy NaCl : 616248. / 1681384. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.08309588 Potential at right wall /kT = -1.07442318 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9989373 Potential at right wall /mV = -27.7747408 ________________________________________________________________________ Capacitance of left DL = 0.045544154 Capacitance of right DL = 0.0459117845 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7156412 Capacitance of right DL [F/m2] = 36.0039364 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.31115907 Adsorption of ion 1 on right wall = -5.17713156 Adsorption of ion 2 on left wall = -5.47198407 Adsorption of ion 2 on right wall = 6.70680269 ------------------------------------------------------------------------ net charge in left DL = -11.7831431 10.6285481 net charge in right DL = 11.8839342 -10.6285481 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.593793149 Relative adsorption of ion 1 on right wall = -0.487096779 Relative adsorption of ion 2 on left wall = -0.514838339 Relative adsorption of ion 2 on right wall = 0.631017765 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 565------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.010118849 Right electrode charge = -0.010118849 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00448 Bulk concentration of Na = 1.00407 ________________________________________________________________________ Average electrode charge 1 = 0.00791188444 Average electrode charge 2 = -0.00791188444 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.398089 -0.559757 -0.568293 ________________________________________________________________________ Electrode charge exchange: 0.0637064082 Move Jump Cl: 0.93423 0.36877 Na: 0.93419 0.36909 ________________________________________________________________________ Create NaCl : 621746. / 1694920. = 0.36683 Destroy NaCl : 621753. / 1696381. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.08576154 Potential at right wall /kT = -1.07658148 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0678469 Potential at right wall /mV = -27.8305348 ________________________________________________________________________ Capacitance of left DL = 0.0648914254 Capacitance of right DL = 0.0654447573 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.6279555 Capacitance of right DL [F/m2] = 35.9317566 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.32598573 Adsorption of ion 1 on right wall = -5.20636309 Adsorption of ion 2 on left wall = -5.45943757 Adsorption of ion 2 on right wall = 6.69794754 ------------------------------------------------------------------------ net charge in left DL = -11.7854233 15.1808528 net charge in right DL = 11.9043106 -15.1808528 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.416708192 Relative adsorption of ion 1 on right wall = -0.342955904 Relative adsorption of ion 2 on left wall = -0.35962654 Relative adsorption of ion 2 on right wall = 0.441210229 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 570------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00734965055 Right electrode charge = -0.00734965055 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00416 Bulk concentration of Na = 1.00381 ________________________________________________________________________ Average electrode charge 1 = 0.00790857004 Average electrode charge 2 = -0.00790857004 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397515 -0.559757 -0.567719 ________________________________________________________________________ Electrode charge exchange: 0.063714759 Move Jump Cl: 0.93422 0.36877 Na: 0.93418 0.36913 ________________________________________________________________________ Create NaCl : 627216. / 1709733. = 0.36685 Destroy NaCl : 627230. / 1711493. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.08256209 Potential at right wall /kT = -1.07374827 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9851386 Potential at right wall /mV = -27.7572939 ________________________________________________________________________ Capacitance of left DL = 0.0472720599 Capacitance of right DL = 0.0476600909 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7332516 Capacitance of right DL [F/m2] = 36.0265668 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.34493546 Adsorption of ion 1 on right wall = -5.17497507 Adsorption of ion 2 on left wall = -5.44190102 Adsorption of ion 2 on right wall = 6.71457968 ------------------------------------------------------------------------ net charge in left DL = -11.7868365 11.0263493 net charge in right DL = 11.8895547 -11.0263493 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.575433927 Relative adsorption of ion 1 on right wall = -0.469328056 Relative adsorption of ion 2 on left wall = -0.493536064 Relative adsorption of ion 2 on right wall = 0.608957644 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 575------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00706520254 Right electrode charge = -0.00706520254 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00395 Bulk concentration of Na = 1.00358 ________________________________________________________________________ Average electrode charge 1 = 0.0079033384 Average electrode charge 2 = -0.0079033384 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397070 -0.559757 -0.567275 ________________________________________________________________________ Electrode charge exchange: 0.063713257 Move Jump Cl: 0.93424 0.36876 Na: 0.93415 0.36917 ________________________________________________________________________ Create NaCl : 632661. / 1724743. = 0.36681 Destroy NaCl : 632661. / 1726482. = 0.36645 ________________________________________________________________________ Potential at left wall /kT = 1.07564545 Potential at right wall /kT = -1.06654386 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8063376 Potential at right wall /mV = -27.5710538 ________________________________________________________________________ Capacitance of left DL = 0.0457347305 Capacitance of right DL = 0.046125018 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.9630245 Capacitance of right DL [F/m2] = 36.269923 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.36605843 Adsorption of ion 1 on right wall = -5.13244882 Adsorption of ion 2 on left wall = -5.40584512 Adsorption of ion 2 on right wall = 6.74679807 ------------------------------------------------------------------------ net charge in left DL = -11.7719036 10.5996048 net charge in right DL = 11.8792469 -10.5996048 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.600593944 Relative adsorption of ion 1 on right wall = -0.484211339 Relative adsorption of ion 2 on left wall = -0.510004405 Relative adsorption of ion 2 on right wall = 0.636514117 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 580------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00752954853 Right electrode charge = -0.00752954853 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00403 Bulk concentration of Na = 1.00372 ________________________________________________________________________ Average electrode charge 1 = 0.00789973691 Average electrode charge 2 = -0.00789973691 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397294 -0.559757 -0.567498 ________________________________________________________________________ Electrode charge exchange: 0.0636808695 Move Jump Cl: 0.93423 0.36877 Na: 0.93411 0.36916 ________________________________________________________________________ Create NaCl : 638161. / 1739842. = 0.36679 Destroy NaCl : 638151. / 1741354. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.07900055 Potential at right wall /kT = -1.07014295 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8930698 Potential at right wall /mV = -27.6640932 ________________________________________________________________________ Capacitance of left DL = 0.0485889957 Capacitance of right DL = 0.0489911682 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.8511992 Capacitance of right DL [F/m2] = 36.1479406 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.3579869 Adsorption of ion 1 on right wall = -5.10876123 Adsorption of ion 2 on left wall = -5.41907018 Adsorption of ion 2 on right wall = 6.76016818 ------------------------------------------------------------------------ net charge in left DL = -11.7770571 11.2962421 net charge in right DL = 11.8689294 -11.2962421 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.562840885 Relative adsorption of ion 1 on right wall = -0.452253164 Relative adsorption of ion 2 on left wall = -0.479723268 Relative adsorption of ion 2 on right wall = 0.598443989 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 585------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00623526762 Right electrode charge = -0.00623526762 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00384 Bulk concentration of Na = 1.00352 ________________________________________________________________________ Average electrode charge 1 = 0.00789567821 Average electrode charge 2 = -0.00789567821 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396903 -0.559757 -0.567107 ________________________________________________________________________ Electrode charge exchange: 0.0636965925 Move Jump Cl: 0.93427 0.36879 Na: 0.93411 0.36919 ________________________________________________________________________ Create NaCl : 643677. / 1754756. = 0.36682 Destroy NaCl : 643693. / 1756373. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.08219727 Potential at right wall /kT = -1.07263528 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9757075 Potential at right wall /mV = -27.7285221 ________________________________________________________________________ Capacitance of left DL = 0.0401180041 Capacitance of right DL = 0.0404756353 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7452979 Capacitance of right DL [F/m2] = 36.0639487 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.36532413 Adsorption of ion 1 on right wall = -5.08081903 Adsorption of ion 2 on left wall = -5.4062657 Adsorption of ion 2 on right wall = 6.78589826 ------------------------------------------------------------------------ net charge in left DL = -11.7715898 9.35449083 net charge in right DL = 11.8667173 -9.35449083 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.680456505 Relative adsorption of ion 1 on right wall = -0.543142232 Relative adsorption of ion 2 on left wall = -0.577932652 Relative adsorption of ion 2 on right wall = 0.725416101 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 590------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806557123 Right electrode charge = -0.00806557123 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00380 Bulk concentration of Na = 1.00349 ________________________________________________________________________ Average electrode charge 1 = 0.00789247131 Average electrode charge 2 = -0.00789247131 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396833 -0.559757 -0.567037 ________________________________________________________________________ Electrode charge exchange: 0.063698729 Move Jump Cl: 0.93424 0.36878 Na: 0.93409 0.36922 ________________________________________________________________________ Create NaCl : 649152. / 1769786. = 0.36680 Destroy NaCl : 649163. / 1771453. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.08006974 Potential at right wall /kT = -1.07220756 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9207091 Potential at right wall /mV = -27.7174651 ________________________________________________________________________ Capacitance of left DL = 0.0519964849 Capacitance of right DL = 0.0523777599 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.8157092 Capacitance of right DL [F/m2] = 36.0783353 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.40296401 Adsorption of ion 1 on right wall = -5.09777766 Adsorption of ion 2 on left wall = -5.36541924 Adsorption of ion 2 on right wall = 6.76120039 ------------------------------------------------------------------------ net charge in left DL = -11.7683833 12.1004128 net charge in right DL = 11.858978 -12.1004128 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.529152527 Relative adsorption of ion 1 on right wall = -0.421289566 Relative adsorption of ion 2 on left wall = -0.443407951 Relative adsorption of ion 2 on right wall = 0.558757829 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 595------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0087640476 Right electrode charge = -0.0087640476 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00373 Bulk concentration of Na = 1.00334 ________________________________________________________________________ Average electrode charge 1 = 0.00789129823 Average electrode charge 2 = -0.00789129823 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396609 -0.559757 -0.566814 ________________________________________________________________________ Electrode charge exchange: 0.0637117691 Move Jump Cl: 0.93423 0.36880 Na: 0.93409 0.36921 ________________________________________________________________________ Create NaCl : 654660. / 1784688. = 0.36682 Destroy NaCl : 654678. / 1786602. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.08219856 Potential at right wall /kT = -1.07445122 ------------------------------------------------------------------------ Potential at left wall /mV = 27.975741 Potential at right wall /mV = -27.7754658 ________________________________________________________________________ Capacitance of left DL = 0.0563882256 Capacitance of right DL = 0.0567948132 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7452552 Capacitance of right DL [F/m2] = 36.0029966 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.39668018 Adsorption of ion 1 on right wall = -5.09429461 Adsorption of ion 2 on left wall = -5.36060152 Adsorption of ion 2 on right wall = 6.77559764 ------------------------------------------------------------------------ net charge in left DL = -11.7572817 13.1483054 net charge in right DL = 11.8698923 -13.1483054 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.486502252 Relative adsorption of ion 1 on right wall = -0.387448759 Relative adsorption of ion 2 on left wall = -0.407702845 Relative adsorption of ion 2 on right wall = 0.515320982 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 600------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00739422897 Right electrode charge = -0.00739422897 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 319 -1.00 3.0000 1.5000 Na ion: 319 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00384 Bulk concentration of Na = 1.00348 ________________________________________________________________________ Average electrode charge 1 = 0.0078924419 Average electrode charge 2 = -0.0078924419 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396863 -0.559757 -0.567068 ________________________________________________________________________ Electrode charge exchange: 0.0637185316 Move Jump Cl: 0.93421 0.36882 Na: 0.93410 0.36921 ________________________________________________________________________ Create NaCl : 660176. / 1799863. = 0.36679 Destroy NaCl : 660157. / 1801381. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.0835131 Potential at right wall /kT = -1.07632371 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0097228 Potential at right wall /mV = -27.8238713 ________________________________________________________________________ Capacitance of left DL = 0.0475170404 Capacitance of right DL = 0.0478344339 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7018885 Capacitance of right DL [F/m2] = 35.9403618 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4019845 Adsorption of ion 1 on right wall = -5.09056508 Adsorption of ion 2 on left wall = -5.36223862 Adsorption of ion 2 on right wall = 6.77850818 ------------------------------------------------------------------------ net charge in left DL = -11.7642231 11.0932283 net charge in right DL = 11.8690733 -11.0932283 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.577107434 Relative adsorption of ion 1 on right wall = -0.458889419 Relative adsorption of ion 2 on left wall = -0.483379454 Relative adsorption of ion 2 on right wall = 0.611049193 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 605------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00807002257 Right electrode charge = -0.00807002257 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 318 -1.00 3.0000 1.5000 Na ion: 318 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00394 Bulk concentration of Na = 1.00359 ________________________________________________________________________ Average electrode charge 1 = 0.00789476888 Average electrode charge 2 = -0.00789476888 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397075 -0.559757 -0.567280 ________________________________________________________________________ Electrode charge exchange: 0.0637125469 Move Jump Cl: 0.93422 0.36879 Na: 0.93410 0.36915 ________________________________________________________________________ Create NaCl : 665536. / 1814705. = 0.36675 Destroy NaCl : 665518. / 1816326. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.08843842 Potential at right wall /kT = -1.08139353 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1370465 Potential at right wall /mV = -27.9549302 ________________________________________________________________________ Capacitance of left DL = 0.0516251755 Capacitance of right DL = 0.0519614949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.540333 Capacitance of right DL [F/m2] = 35.7718654 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41511984 Adsorption of ion 1 on right wall = -5.10427947 Adsorption of ion 2 on left wall = -5.35759714 Adsorption of ion 2 on right wall = 6.77041044 ------------------------------------------------------------------------ net charge in left DL = -11.772717 12.1070909 net charge in right DL = 11.8746899 -12.1070909 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.529864678 Relative adsorption of ion 1 on right wall = -0.421594212 Relative adsorption of ion 2 on left wall = -0.442517295 Relative adsorption of ion 2 on right wall = 0.55921034 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 610------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00540397032 Right electrode charge = -0.00540397032 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00390 Bulk concentration of Na = 1.00353 ________________________________________________________________________ Average electrode charge 1 = 0.00790048339 Average electrode charge 2 = -0.00790048339 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396973 -0.559757 -0.567178 ________________________________________________________________________ Electrode charge exchange: 0.0637144199 Move Jump Cl: 0.93421 0.36878 Na: 0.93409 0.36914 ________________________________________________________________________ Create NaCl : 670996. / 1829756. = 0.36671 Destroy NaCl : 671015. / 1831331. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.08648604 Potential at right wall /kT = -1.07888392 ------------------------------------------------------------------------ Potential at left wall /mV = 28.0865758 Potential at right wall /mV = -27.8900548 ________________________________________________________________________ Capacitance of left DL = 0.0346321504 Capacitance of right DL = 0.0348761781 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.6041978 Capacitance of right DL [F/m2] = 35.8550748 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43190912 Adsorption of ion 1 on right wall = -5.09973296 Adsorption of ion 2 on left wall = -5.34493623 Adsorption of ion 2 on right wall = 6.78405202 ------------------------------------------------------------------------ net charge in left DL = -11.7768453 8.10733298 net charge in right DL = 11.883785 -8.10733298 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.793344634 Relative adsorption of ion 1 on right wall = -0.629027199 Relative adsorption of ion 2 on left wall = -0.659271827 Relative adsorption of ion 2 on right wall = 0.836779745 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 615------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00937695454 Right electrode charge = -0.00937695454 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00369 Bulk concentration of Na = 1.00333 ________________________________________________________________________ Average electrode charge 1 = 0.00790000309 Average electrode charge 2 = -0.00790000309 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396560 -0.559757 -0.566765 ________________________________________________________________________ Electrode charge exchange: 0.0637103606 Move Jump Cl: 0.93422 0.36878 Na: 0.93410 0.36915 ________________________________________________________________________ Create NaCl : 676539. / 1844729. = 0.36674 Destroy NaCl : 676556. / 1846512. = 0.36640 ________________________________________________________________________ Potential at left wall /kT = 1.08716812 Potential at right wall /kT = -1.08089304 ------------------------------------------------------------------------ Potential at left wall /mV = 28.1042081 Potential at right wall /mV = -27.9419921 ________________________________________________________________________ Capacitance of left DL = 0.0600559106 Capacitance of right DL = 0.0604045627 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.58186 Capacitance of right DL [F/m2] = 35.788429 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43924683 Adsorption of ion 1 on right wall = -5.10818976 Adsorption of ion 2 on left wall = -5.33941185 Adsorption of ion 2 on right wall = 6.77440929 ------------------------------------------------------------------------ net charge in left DL = -11.7786587 14.067822 net charge in right DL = 11.8825991 -14.067822 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.457728766 Relative adsorption of ion 1 on right wall = -0.363111628 Relative adsorption of ion 2 on left wall = -0.379547867 Relative adsorption of ion 2 on right wall = 0.481553525 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 620------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00730753609 Right electrode charge = -0.00730753609 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00360 Bulk concentration of Na = 1.00323 ________________________________________________________________________ Average electrode charge 1 = 0.00790328074 Average electrode charge 2 = -0.00790328074 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396374 -0.559757 -0.566579 ________________________________________________________________________ Electrode charge exchange: 0.0637169294 Move Jump Cl: 0.93423 0.36876 Na: 0.93411 0.36917 ________________________________________________________________________ Create NaCl : 682029. / 1859696. = 0.36674 Destroy NaCl : 682037. / 1861424. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.08915915 Potential at right wall /kT = -1.08196449 ------------------------------------------------------------------------ Potential at left wall /mV = 28.155678 Potential at right wall /mV = -27.9696901 ________________________________________________________________________ Capacitance of left DL = 0.0467164978 Capacitance of right DL = 0.047027145 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.5168147 Capacitance of right DL [F/m2] = 35.7529882 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44271725 Adsorption of ion 1 on right wall = -5.11204229 Adsorption of ion 2 on left wall = -5.33984726 Adsorption of ion 2 on right wall = 6.77790556 ------------------------------------------------------------------------ net charge in left DL = -11.7825645 10.9631669 net charge in right DL = 11.8899479 -10.9631669 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.58766936 Relative adsorption of ion 1 on right wall = -0.466292483 Relative adsorption of ion 2 on left wall = -0.487071604 Relative adsorption of ion 2 on right wall = 0.618243401 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 625------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00873586351 Right electrode charge = -0.00873586351 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00352 Bulk concentration of Na = 1.00317 ________________________________________________________________________ Average electrode charge 1 = 0.00790913106 Average electrode charge 2 = -0.00790913106 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396233 -0.559757 -0.566438 ________________________________________________________________________ Electrode charge exchange: 0.0637238598 Move Jump Cl: 0.93427 0.36876 Na: 0.93413 0.36919 ________________________________________________________________________ Create NaCl : 687518. / 1874573. = 0.36676 Destroy NaCl : 687535. / 1876530. = 0.36639 ________________________________________________________________________ Potential at left wall /kT = 1.08071659 Potential at right wall /kT = -1.07324651 ------------------------------------------------------------------------ Potential at left wall /mV = 27.9374308 Potential at right wall /mV = -27.7443231 ________________________________________________________________________ Capacitance of left DL = 0.0562839637 Capacitance of right DL = 0.0566757148 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.7942721 Capacitance of right DL [F/m2] = 36.0434096 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45768567 Adsorption of ion 1 on right wall = -5.13185846 Adsorption of ion 2 on left wall = -5.32981872 Adsorption of ion 2 on right wall = 6.75727848 ------------------------------------------------------------------------ net charge in left DL = -11.7875044 13.1060221 net charge in right DL = 11.8891369 -13.1060221 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.492726598 Relative adsorption of ion 1 on right wall = -0.391564918 Relative adsorption of ion 2 on left wall = -0.406669445 Relative adsorption of ion 2 on right wall = 0.515585769 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 630------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00827213341 Right electrode charge = -0.00827213341 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00336 Bulk concentration of Na = 1.00301 ________________________________________________________________________ Average electrode charge 1 = 0.00790966879 Average electrode charge 2 = -0.00790966879 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395914 -0.559757 -0.566119 ________________________________________________________________________ Electrode charge exchange: 0.0637246907 Move Jump Cl: 0.93428 0.36880 Na: 0.93412 0.36915 ________________________________________________________________________ Create NaCl : 693058. / 1889507. = 0.36679 Destroy NaCl : 693073. / 1891460. = 0.36642 ________________________________________________________________________ Potential at left wall /kT = 1.07279776 Potential at right wall /kT = -1.06601677 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7327224 Potential at right wall /mV = -27.557428 ________________________________________________________________________ Capacitance of left DL = 0.0536896193 Capacitance of right DL = 0.0540311421 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0584867 Capacitance of right DL [F/m2] = 36.2878568 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46815694 Adsorption of ion 1 on right wall = -5.12689756 Adsorption of ion 2 on left wall = -5.31539299 Adsorption of ion 2 on right wall = 6.75745119 ------------------------------------------------------------------------ net charge in left DL = -11.7835499 12.4103087 net charge in right DL = 11.8843487 -12.4103087 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.521192267 Relative adsorption of ion 1 on right wall = -0.413116037 Relative adsorption of ion 2 on left wall = -0.428304655 Relative adsorption of ion 2 on right wall = 0.54450307 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 635------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00671431379 Right electrode charge = -0.00671431379 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00337 Bulk concentration of Na = 1.00302 ________________________________________________________________________ Average electrode charge 1 = 0.00790967126 Average electrode charge 2 = -0.00790967126 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395935 -0.559757 -0.566140 ________________________________________________________________________ Electrode charge exchange: 0.0637282162 Move Jump Cl: 0.93432 0.36878 Na: 0.93413 0.36911 ________________________________________________________________________ Create NaCl : 698545. / 1904520. = 0.36678 Destroy NaCl : 698561. / 1906490. = 0.36641 ________________________________________________________________________ Potential at left wall /kT = 1.0786684 Potential at right wall /kT = -1.07115687 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8844832 Potential at right wall /mV = -27.6903041 ________________________________________________________________________ Capacitance of left DL = 0.0433415394 Capacitance of right DL = 0.0436454733 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.8622389 Capacitance of right DL [F/m2] = 36.113724 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44843401 Adsorption of ion 1 on right wall = -5.10984184 Adsorption of ion 2 on left wall = -5.33742532 Adsorption of ion 2 on right wall = 6.78036025 ------------------------------------------------------------------------ net charge in left DL = -11.7858593 10.0731822 net charge in right DL = 11.8902021 -10.0731822 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.64015858 Relative adsorption of ion 1 on right wall = -0.507271858 Relative adsorption of ion 2 on left wall = -0.529864864 Relative adsorption of ion 2 on right wall = 0.673110058 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 640------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00985470644 Right electrode charge = -0.00985470644 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00330 Bulk concentration of Na = 1.00296 ________________________________________________________________________ Average electrode charge 1 = 0.0079058093 Average electrode charge 2 = -0.0079058093 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395809 -0.559757 -0.566013 ________________________________________________________________________ Electrode charge exchange: 0.0637267123 Move Jump Cl: 0.93432 0.36881 Na: 0.93417 0.36913 ________________________________________________________________________ Create NaCl : 704053. / 1919617. = 0.36677 Destroy NaCl : 704048. / 1921385. = 0.36643 ________________________________________________________________________ Potential at left wall /kT = 1.07712592 Potential at right wall /kT = -1.07011166 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8446089 Potential at right wall /mV = -27.6632845 ________________________________________________________________________ Capacitance of left DL = 0.063704171 Capacitance of right DL = 0.0641217325 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.9135947 Capacitance of right DL [F/m2] = 36.1489975 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47722175 Adsorption of ion 1 on right wall = -5.10299517 Adsorption of ion 2 on left wall = -5.30456648 Adsorption of ion 2 on right wall = 6.77863717 ------------------------------------------------------------------------ net charge in left DL = -11.7817882 14.7845717 net charge in right DL = 11.8816323 -14.7845717 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.438106825 Relative adsorption of ion 1 on right wall = -0.345156782 Relative adsorption of ion 2 on left wall = -0.358790677 Relative adsorption of ion 2 on right wall = 0.458493984 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 645------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0062429595 Right electrode charge = -0.0062429595 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00333 Bulk concentration of Na = 1.00295 ________________________________________________________________________ Average electrode charge 1 = 0.00790857956 Average electrode charge 2 = -0.00790857956 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395828 -0.559757 -0.566033 ________________________________________________________________________ Electrode charge exchange: 0.0637300622 Move Jump Cl: 0.93426 0.36878 Na: 0.93416 0.36914 ________________________________________________________________________ Create NaCl : 709481. / 1934653. = 0.36672 Destroy NaCl : 709494. / 1936167. = 0.36644 ________________________________________________________________________ Potential at left wall /kT = 1.07281502 Potential at right wall /kT = -1.06598793 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7331687 Potential at right wall /mV = -27.5566825 ________________________________________________________________________ Capacitance of left DL = 0.0405187765 Capacitance of right DL = 0.0407782782 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0579064 Capacitance of right DL [F/m2] = 36.2888385 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4688718 Adsorption of ion 1 on right wall = -5.09959461 Adsorption of ion 2 on left wall = -5.3088716 Adsorption of ion 2 on right wall = 6.78814106 ------------------------------------------------------------------------ net charge in left DL = -11.7777434 9.3660306 net charge in right DL = 11.8877357 -9.3660306 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.690673784 Relative adsorption of ion 1 on right wall = -0.544477679 Relative adsorption of ion 2 on left wall = -0.566821936 Relative adsorption of ion 2 on right wall = 0.724761785 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 650------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00450195123 Right electrode charge = -0.00450195123 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00330 Bulk concentration of Na = 1.00294 ________________________________________________________________________ Average electrode charge 1 = 0.00790407392 Average electrode charge 2 = -0.00790407392 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395780 -0.559757 -0.565984 ________________________________________________________________________ Electrode charge exchange: 0.0637329191 Move Jump Cl: 0.93427 0.36875 Na: 0.93416 0.36915 ________________________________________________________________________ Create NaCl : 715023. / 1949736. = 0.36673 Destroy NaCl : 715030. / 1951061. = 0.36648 ________________________________________________________________________ Potential at left wall /kT = 1.06783764 Potential at right wall /kT = -1.06158349 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6044992 Potential at right wall /mV = -27.4428241 ________________________________________________________________________ Capacitance of left DL = 0.029355279 Capacitance of right DL = 0.029528221 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2259787 Capacitance of right DL [F/m2] = 36.4393984 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46404748 Adsorption of ion 1 on right wall = -5.08215368 Adsorption of ion 2 on left wall = -5.30528526 Adsorption of ion 2 on right wall = 6.79350513 ------------------------------------------------------------------------ net charge in left DL = -11.7693327 6.75407441 net charge in right DL = 11.8756588 -6.75407441 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.957058966 Relative adsorption of ion 1 on right wall = -0.75245746 Relative adsorption of ion 2 on left wall = -0.785494049 Relative adsorption of ion 2 on right wall = 1.00583806 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 655------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00654824626 Right electrode charge = -0.00654824626 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 283 -1.00 3.0000 1.5000 Na ion: 283 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00336 Bulk concentration of Na = 1.00304 ________________________________________________________________________ Average electrode charge 1 = 0.00790255839 Average electrode charge 2 = -0.00790255839 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395936 -0.559757 -0.566140 ________________________________________________________________________ Electrode charge exchange: 0.0637341423 Move Jump Cl: 0.93425 0.36875 Na: 0.93418 0.36909 ________________________________________________________________________ Create NaCl : 720567. / 1964905. = 0.36672 Destroy NaCl : 720584. / 1966107. = 0.36650 ________________________________________________________________________ Potential at left wall /kT = 1.06608715 Potential at right wall /kT = -1.05886092 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5592475 Potential at right wall /mV = -27.3724434 ________________________________________________________________________ Capacitance of left DL = 0.0427683945 Capacitance of right DL = 0.0430602687 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.285461 Capacitance of right DL [F/m2] = 36.5330922 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47656565 Adsorption of ion 1 on right wall = -5.08437417 Adsorption of ion 2 on left wall = -5.29510611 Adsorption of ion 2 on right wall = 6.78172328 ------------------------------------------------------------------------ net charge in left DL = -11.7716718 9.82403856 net charge in right DL = 11.8660975 -9.82403856 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.659256945 Relative adsorption of ion 1 on right wall = -0.517544199 Relative adsorption of ion 2 on left wall = -0.538994841 Relative adsorption of ion 2 on right wall = 0.690319286 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 660------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00579863744 Right electrode charge = -0.00579863744 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00348 Bulk concentration of Na = 1.00317 ________________________________________________________________________ Average electrode charge 1 = 0.00790579645 Average electrode charge 2 = -0.00790579645 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396196 -0.559757 -0.566400 ________________________________________________________________________ Electrode charge exchange: 0.0637235353 Move Jump Cl: 0.93425 0.36879 Na: 0.93420 0.36906 ________________________________________________________________________ Create NaCl : 726005. / 1979984. = 0.36667 Destroy NaCl : 725999. / 1981059. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.06061355 Potential at right wall /kT = -1.05272783 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4177504 Potential at right wall /mV = -27.213898 ________________________________________________________________________ Capacitance of left DL = 0.0380679452 Capacitance of right DL = 0.0383531026 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4727224 Capacitance of right DL [F/m2] = 36.7459304 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47872364 Adsorption of ion 1 on right wall = -5.11240969 Adsorption of ion 2 on left wall = -5.29642008 Adsorption of ion 2 on right wall = 6.75185568 ------------------------------------------------------------------------ net charge in left DL = -11.7751437 8.69943426 net charge in right DL = 11.8642654 -8.69943426 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.744729306 Relative adsorption of ion 1 on right wall = -0.587671513 Relative adsorption of ion 2 on left wall = -0.608823507 Relative adsorption of ion 2 on right wall = 0.776125835 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 665------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00603783052 Right electrode charge = -0.00603783052 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00358 Bulk concentration of Na = 1.00324 ________________________________________________________________________ Average electrode charge 1 = 0.00790758153 Average electrode charge 2 = -0.00790758153 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396361 -0.559757 -0.566566 ________________________________________________________________________ Electrode charge exchange: 0.0637401314 Move Jump Cl: 0.93423 0.36876 Na: 0.93417 0.36905 ________________________________________________________________________ Create NaCl : 731490. / 1995061. = 0.36665 Destroy NaCl : 731493. / 1996088. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.06329679 Potential at right wall /kT = -1.05615951 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4871143 Potential at right wall /mV = -27.3026098 ________________________________________________________________________ Capacitance of left DL = 0.0395382159 Capacitance of right DL = 0.0398054057 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3806833 Capacitance of right DL [F/m2] = 36.6265353 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45914178 Adsorption of ion 1 on right wall = -5.12397263 Adsorption of ion 2 on left wall = -5.31608803 Adsorption of ion 2 on right wall = 6.75001861 ------------------------------------------------------------------------ net charge in left DL = -11.7752298 9.05828485 net charge in right DL = 11.8739912 -9.05828485 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.713064547 Relative adsorption of ion 1 on right wall = -0.56566698 Relative adsorption of ion 2 on left wall = -0.586875785 Relative adsorption of ion 2 on right wall = 0.745176236 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 670------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00624285176 Right electrode charge = -0.00624285176 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00364 Bulk concentration of Na = 1.00336 ________________________________________________________________________ Average electrode charge 1 = 0.00790948326 Average electrode charge 2 = -0.00790948326 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396531 -0.559757 -0.566735 ________________________________________________________________________ Electrode charge exchange: 0.0637501289 Move Jump Cl: 0.93421 0.36877 Na: 0.93417 0.36908 ________________________________________________________________________ Create NaCl : 736982. / 2010225. = 0.36662 Destroy NaCl : 736971. / 2011062. = 0.36646 ________________________________________________________________________ Potential at left wall /kT = 1.06706019 Potential at right wall /kT = -1.0608713 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5844014 Potential at right wall /mV = -27.4244134 ________________________________________________________________________ Capacitance of left DL = 0.040736598 Capacitance of right DL = 0.0409742463 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2523727 Capacitance of right DL [F/m2] = 36.463861 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46458149 Adsorption of ion 1 on right wall = -5.1298455 Adsorption of ion 2 on left wall = -5.32460149 Adsorption of ion 2 on right wall = 6.74141381 ------------------------------------------------------------------------ net charge in left DL = -11.789183 9.36586897 net charge in right DL = 11.8712593 -9.36586897 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.690227624 Relative adsorption of ion 1 on right wall = -0.547716984 Relative adsorption of ion 2 on left wall = -0.568511209 Relative adsorption of ion 2 on right wall = 0.719785193 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 675------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00710298445 Right electrode charge = -0.00710298445 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00367 Bulk concentration of Na = 1.00334 ________________________________________________________________________ Average electrode charge 1 = 0.00790781659 Average electrode charge 2 = -0.00790781659 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396546 -0.559757 -0.566750 ________________________________________________________________________ Electrode charge exchange: 0.0637301574 Move Jump Cl: 0.93423 0.36876 Na: 0.93416 0.36911 ________________________________________________________________________ Create NaCl : 742456. / 2025132. = 0.36662 Destroy NaCl : 742461. / 2025887. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.07186523 Potential at right wall /kT = -1.06608229 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7086157 Potential at right wall /mV = -27.5591218 ________________________________________________________________________ Capacitance of left DL = 0.0461414602 Capacitance of right DL = 0.0463917536 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0898578 Capacitance of right DL [F/m2] = 36.2856265 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45020107 Adsorption of ion 1 on right wall = -5.14496622 Adsorption of ion 2 on left wall = -5.33305643 Adsorption of ion 2 on right wall = 6.73411209 ------------------------------------------------------------------------ net charge in left DL = -11.7832575 10.6562873 net charge in right DL = 11.8790783 -10.6562873 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.605295344 Relative adsorption of ion 1 on right wall = -0.482810391 Relative adsorption of ion 2 on left wall = -0.500461024 Relative adsorption of ion 2 on right wall = 0.631937927 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 680------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00807393581 Right electrode charge = -0.00807393581 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00372 Bulk concentration of Na = 1.00340 ________________________________________________________________________ Average electrode charge 1 = 0.00791271184 Average electrode charge 2 = -0.00791271184 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396663 -0.559757 -0.566867 ________________________________________________________________________ Electrode charge exchange: 0.0637235149 Move Jump Cl: 0.93425 0.36876 Na: 0.93418 0.36917 ________________________________________________________________________ Create NaCl : 747939. / 2040234. = 0.36659 Destroy NaCl : 747937. / 2040927. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.07652721 Potential at right wall /kT = -1.07079616 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8291319 Potential at right wall /mV = -27.6809793 ________________________________________________________________________ Capacitance of left DL = 0.0522216912 Capacitance of right DL = 0.0525011892 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.9335679 Capacitance of right DL [F/m2] = 36.1258895 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44086932 Adsorption of ion 1 on right wall = -5.13774355 Adsorption of ion 2 on left wall = -5.35405878 Adsorption of ion 2 on right wall = 6.75030923 ------------------------------------------------------------------------ net charge in left DL = -11.7949281 12.1129618 net charge in right DL = 11.8880528 -12.1129618 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.531733644 Relative adsorption of ion 1 on right wall = -0.424152543 Relative adsorption of ion 2 on left wall = -0.442010705 Relative adsorption of ion 2 on right wall = 0.557279825 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 685------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00543578048 Right electrode charge = -0.00543578048 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00357 Bulk concentration of Na = 1.00326 ________________________________________________________________________ Average electrode charge 1 = 0.00791259864 Average electrode charge 2 = -0.00791259864 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396376 -0.559757 -0.566581 ________________________________________________________________________ Electrode charge exchange: 0.0637228671 Move Jump Cl: 0.93424 0.36878 Na: 0.93418 0.36917 ________________________________________________________________________ Create NaCl : 753461. / 2055145. = 0.36662 Destroy NaCl : 753462. / 2056001. = 0.36647 ________________________________________________________________________ Potential at left wall /kT = 1.06668528 Potential at right wall /kT = -1.06141635 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5747097 Potential at right wall /mV = -27.4385035 ________________________________________________________________________ Capacitance of left DL = 0.0354826673 Capacitance of right DL = 0.0356588052 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2651143 Capacitance of right DL [F/m2] = 36.4451363 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46256822 Adsorption of ion 1 on right wall = -5.13839491 Adsorption of ion 2 on left wall = -5.32619925 Adsorption of ion 2 on right wall = 6.74167556 ------------------------------------------------------------------------ net charge in left DL = -11.7887675 8.15505632 net charge in right DL = 11.8800705 -8.15505632 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.792461507 Relative adsorption of ion 1 on right wall = -0.630086993 Relative adsorption of ion 2 on left wall = -0.653116183 Relative adsorption of ion 2 on right wall = 0.826686573 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 690------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00942388578 Right electrode charge = -0.00942388578 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00361 Bulk concentration of Na = 1.00332 ________________________________________________________________________ Average electrode charge 1 = 0.0079092811 Average electrode charge 2 = -0.0079092811 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396470 -0.559757 -0.566674 ________________________________________________________________________ Electrode charge exchange: 0.0637203385 Move Jump Cl: 0.93426 0.36877 Na: 0.93417 0.36916 ________________________________________________________________________ Create NaCl : 758993. / 2070129. = 0.36664 Destroy NaCl : 759004. / 2071013. = 0.36649 ________________________________________________________________________ Potential at left wall /kT = 1.06525126 Potential at right wall /kT = -1.05947868 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5376389 Potential at right wall /mV = -27.388413 ________________________________________________________________________ Capacitance of left DL = 0.0615982837 Capacitance of right DL = 0.0619339022 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3139339 Capacitance of right DL [F/m2] = 36.5117905 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44657906 Adsorption of ion 1 on right wall = -5.12151611 Adsorption of ion 2 on left wall = -5.33873955 Adsorption of ion 2 on right wall = 6.74996794 ------------------------------------------------------------------------ net charge in left DL = -11.7853186 14.1382309 net charge in right DL = 11.871484 -14.1382309 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.455967874 Relative adsorption of ion 1 on right wall = -0.362245896 Relative adsorption of ion 2 on left wall = -0.377610155 Relative adsorption of ion 2 on right wall = 0.477426632 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 695------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00897362106 Right electrode charge = -0.00897362106 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00350 Bulk concentration of Na = 1.00320 ________________________________________________________________________ Average electrode charge 1 = 0.00790493464 Average electrode charge 2 = -0.00790493464 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396240 -0.559757 -0.566445 ________________________________________________________________________ Electrode charge exchange: 0.0637145274 Move Jump Cl: 0.93429 0.36874 Na: 0.93419 0.36912 ________________________________________________________________________ Create NaCl : 764557. / 2085105. = 0.36668 Destroy NaCl : 764563. / 2085943. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.06843221 Potential at right wall /kT = -1.06314436 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6198693 Potential at right wall /mV = -27.4831738 ________________________________________________________________________ Capacitance of left DL = 0.0584805442 Capacitance of right DL = 0.0587714142 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2058194 Capacitance of right DL [F/m2] = 36.3858995 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46131833 Adsorption of ion 1 on right wall = -5.11083131 Adsorption of ion 2 on left wall = -5.32064937 Adsorption of ion 2 on right wall = 6.75655927 ------------------------------------------------------------------------ net charge in left DL = -11.7819677 13.462719 net charge in right DL = 11.8673906 -13.462719 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.479941558 Relative adsorption of ion 1 on right wall = -0.379628462 Relative adsorption of ion 2 on left wall = -0.395213579 Relative adsorption of ion 2 on right wall = 0.501871818 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 700------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00881935336 Right electrode charge = -0.00881935336 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 314 -1.00 3.0000 1.5000 Na ion: 314 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00345 Bulk concentration of Na = 1.00310 ________________________________________________________________________ Average electrode charge 1 = 0.00790888474 Average electrode charge 2 = -0.00790888474 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396099 -0.559757 -0.566304 ________________________________________________________________________ Electrode charge exchange: 0.0637187099 Move Jump Cl: 0.93432 0.36873 Na: 0.93417 0.36912 ________________________________________________________________________ Create NaCl : 770107. / 2099990. = 0.36672 Destroy NaCl : 770093. / 2101172. = 0.36651 ________________________________________________________________________ Potential at left wall /kT = 1.0689735 Potential at right wall /kT = -1.06308875 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6338622 Potential at right wall /mV = -27.4817363 ________________________________________________________________________ Capacitance of left DL = 0.0574460875 Capacitance of right DL = 0.0577640819 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.187486 Capacitance of right DL [F/m2] = 36.3878028 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46263638 Adsorption of ion 1 on right wall = -5.1182972 Adsorption of ion 2 on left wall = -5.31706352 Adsorption of ion 2 on right wall = 6.76309553 ------------------------------------------------------------------------ net charge in left DL = -11.7796999 13.2312781 net charge in right DL = 11.8813927 -13.2312781 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.488436288 Relative adsorption of ion 1 on right wall = -0.386833165 Relative adsorption of ion 2 on left wall = -0.401855623 Relative adsorption of ion 2 on right wall = 0.511144537 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 705------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00754977047 Right electrode charge = -0.00754977047 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00344 Bulk concentration of Na = 1.00304 ________________________________________________________________________ Average electrode charge 1 = 0.00790565238 Average electrode charge 2 = -0.00790565238 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396028 -0.559757 -0.566232 ________________________________________________________________________ Electrode charge exchange: 0.0637261521 Move Jump Cl: 0.93433 0.36871 Na: 0.93421 0.36913 ________________________________________________________________________ Create NaCl : 775595. / 2114958. = 0.36672 Destroy NaCl : 775596. / 2116069. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.06858166 Potential at right wall /kT = -1.06274796 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6237326 Potential at right wall /mV = -27.4729267 ________________________________________________________________________ Capacitance of left DL = 0.0491945152 Capacitance of right DL = 0.0494645565 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2007558 Capacitance of right DL [F/m2] = 36.3994711 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46179326 Adsorption of ion 1 on right wall = -5.09394327 Adsorption of ion 2 on left wall = -5.30473946 Adsorption of ion 2 on right wall = 6.79099186 ------------------------------------------------------------------------ net charge in left DL = -11.7665327 11.3265802 net charge in right DL = 11.8849351 -11.3265802 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.57049817 Relative adsorption of ion 1 on right wall = -0.449733564 Relative adsorption of ion 2 on left wall = -0.468344318 Relative adsorption of ion 2 on right wall = 0.599562424 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 710------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00856075873 Right electrode charge = -0.00856075873 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00356 Bulk concentration of Na = 1.00312 ________________________________________________________________________ Average electrode charge 1 = 0.0079000547 Average electrode charge 2 = -0.0079000547 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396216 -0.559757 -0.566421 ________________________________________________________________________ Electrode charge exchange: 0.0637306162 Move Jump Cl: 0.93430 0.36872 Na: 0.93422 0.36916 ________________________________________________________________________ Create NaCl : 780989. / 2129934. = 0.36667 Destroy NaCl : 781003. / 2130860. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.06819726 Potential at right wall /kT = -1.06288756 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6137957 Potential at right wall /mV = -27.4765354 ________________________________________________________________________ Capacitance of left DL = 0.0558022164 Capacitance of right DL = 0.0560809789 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2137829 Capacitance of right DL [F/m2] = 36.3946904 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44079869 Adsorption of ion 1 on right wall = -5.09357654 Adsorption of ion 2 on left wall = -5.3126831 Adsorption of ion 2 on right wall = 6.78846984 ------------------------------------------------------------------------ net charge in left DL = -11.7534818 12.8433203 net charge in right DL = 11.8820464 -12.8433203 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.501490157 Relative adsorption of ion 1 on right wall = -0.396593438 Relative adsorption of ion 2 on left wall = -0.4136534 Relative adsorption of ion 2 on right wall = 0.528560349 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 715------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00876254951 Right electrode charge = -0.00876254951 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00373 Bulk concentration of Na = 1.00330 ________________________________________________________________________ Average electrode charge 1 = 0.00790327873 Average electrode charge 2 = -0.00790327873 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396573 -0.559757 -0.566778 ________________________________________________________________________ Electrode charge exchange: 0.0637282038 Move Jump Cl: 0.93430 0.36867 Na: 0.93422 0.36916 ________________________________________________________________________ Create NaCl : 786562. / 2145118. = 0.36668 Destroy NaCl : 786569. / 2145889. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.07400671 Potential at right wall /kT = -1.06867859 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7639749 Potential at right wall /mV = -27.6262383 ________________________________________________________________________ Capacitance of left DL = 0.0568086071 Capacitance of right DL = 0.0570918388 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0178975 Capacitance of right DL [F/m2] = 36.1974725 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44611747 Adsorption of ion 1 on right wall = -5.10760491 Adsorption of ion 2 on left wall = -5.31837231 Adsorption of ion 2 on right wall = 6.78120484 ------------------------------------------------------------------------ net charge in left DL = -11.7644898 13.1460579 net charge in right DL = 11.8888098 -13.1460579 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490346044 Relative adsorption of ion 1 on right wall = -0.388527493 Relative adsorption of ion 2 on left wall = -0.404560239 Relative adsorption of ion 2 on right wall = 0.515835615 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 720------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00925997748 Right electrode charge = -0.00925997748 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00398 Bulk concentration of Na = 1.00355 ________________________________________________________________________ Average electrode charge 1 = 0.00789923837 Average electrode charge 2 = -0.00789923837 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397071 -0.559757 -0.567276 ________________________________________________________________________ Electrode charge exchange: 0.063732148 Move Jump Cl: 0.93425 0.36862 Na: 0.93420 0.36912 ________________________________________________________________________ Create NaCl : 791987. / 2160209. = 0.36663 Destroy NaCl : 791985. / 2160654. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.07553731 Potential at right wall /kT = -1.06991687 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8035421 Potential at right wall /mV = -27.658249 ________________________________________________________________________ Capacitance of left DL = 0.0599480557 Capacitance of right DL = 0.0602629722 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.9666404 Capacitance of right DL [F/m2] = 36.1555788 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41207051 Adsorption of ion 1 on right wall = -5.11744431 Adsorption of ion 2 on left wall = -5.34742823 Adsorption of ion 2 on right wall = 6.76693983 ------------------------------------------------------------------------ net charge in left DL = -11.7594987 13.8923266 net charge in right DL = 11.8843841 -13.8923266 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.461554834 Relative adsorption of ion 1 on right wall = -0.368364814 Relative adsorption of ion 2 on left wall = -0.384919558 Relative adsorption of ion 2 on right wall = 0.487099102 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 725------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00441164569 Right electrode charge = -0.00441164569 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00393 Bulk concentration of Na = 1.00352 ________________________________________________________________________ Average electrode charge 1 = 0.00790364317 Average electrode charge 2 = -0.00790364317 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396986 -0.559757 -0.567190 ________________________________________________________________________ Electrode charge exchange: 0.0637306565 Move Jump Cl: 0.93426 0.36866 Na: 0.93420 0.36917 ________________________________________________________________________ Create NaCl : 797593. / 2175118. = 0.36669 Destroy NaCl : 797592. / 2175802. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.07629682 Potential at right wall /kT = -1.07117784 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8231759 Potential at right wall /mV = -27.690846 ________________________________________________________________________ Capacitance of left DL = 0.0285403453 Capacitance of right DL = 0.0286767348 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.94126 Capacitance of right DL [F/m2] = 36.1130172 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.41653574 Adsorption of ion 1 on right wall = -5.13273989 Adsorption of ion 2 on left wall = -5.35268883 Adsorption of ion 2 on right wall = 6.756016 ------------------------------------------------------------------------ net charge in left DL = -11.7692246 6.61859309 net charge in right DL = 11.8887559 -6.61859309 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.969471254 Relative adsorption of ion 1 on right wall = -0.775503166 Relative adsorption of ion 2 on left wall = -0.808735144 Relative adsorption of ion 2 on right wall = 1.02076316 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 730------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00998503931 Right electrode charge = -0.00998503931 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 273 -1.00 3.0000 1.5000 Na ion: 273 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00388 Bulk concentration of Na = 1.00342 ________________________________________________________________________ Average electrode charge 1 = 0.00790736136 Average electrode charge 2 = -0.00790736136 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396837 -0.559757 -0.567041 ________________________________________________________________________ Electrode charge exchange: 0.0637527894 Move Jump Cl: 0.93424 0.36862 Na: 0.93420 0.36918 ________________________________________________________________________ Create NaCl : 803008. / 2190034. = 0.36666 Destroy NaCl : 803035. / 2190695. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.07721889 Potential at right wall /kT = -1.07293359 ------------------------------------------------------------------------ Potential at left wall /mV = 27.8470122 Potential at right wall /mV = -27.7362336 ________________________________________________________________________ Capacitance of left DL = 0.0645411163 Capacitance of right DL = 0.0647988936 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 35.9104953 Capacitance of right DL [F/m2] = 36.0539218 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43540302 Adsorption of ion 1 on right wall = -5.13255257 Adsorption of ion 2 on left wall = -5.33200209 Adsorption of ion 2 on right wall = 6.77115853 ------------------------------------------------------------------------ net charge in left DL = -11.7674051 14.9801042 net charge in right DL = 11.9037111 -14.9801042 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.42959668 Relative adsorption of ion 1 on right wall = -0.342624624 Relative adsorption of ion 2 on left wall = -0.355938919 Relative adsorption of ion 2 on right wall = 0.452010109 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 735------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00599250064 Right electrode charge = -0.00599250064 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00394 Bulk concentration of Na = 1.00356 ________________________________________________________________________ Average electrode charge 1 = 0.00790434995 Average electrode charge 2 = -0.00790434995 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.397046 -0.559757 -0.567250 ________________________________________________________________________ Electrode charge exchange: 0.0637559044 Move Jump Cl: 0.93425 0.36863 Na: 0.93421 0.36918 ________________________________________________________________________ Create NaCl : 808489. / 2205075. = 0.36665 Destroy NaCl : 808497. / 2205638. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.07290104 Potential at right wall /kT = -1.0677184 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7353922 Potential at right wall /mV = -27.6014166 ________________________________________________________________________ Capacitance of left DL = 0.0388901016 Capacitance of right DL = 0.0390788717 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0550157 Capacitance of right DL [F/m2] = 36.2300245 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.42897946 Adsorption of ion 1 on right wall = -5.13452666 Adsorption of ion 2 on left wall = -5.34324094 Adsorption of ion 2 on right wall = 6.74840486 ------------------------------------------------------------------------ net charge in left DL = -11.7722204 8.99027848 net charge in right DL = 11.8829315 -8.99027848 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.715103483 Relative adsorption of ion 1 on right wall = -0.571119868 Relative adsorption of ion 2 on left wall = -0.594335421 Relative adsorption of ion 2 on right wall = 0.750633573 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 740------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00601157389 Right electrode charge = -0.00601157389 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00390 Bulk concentration of Na = 1.00353 ________________________________________________________________________ Average electrode charge 1 = 0.00790421775 Average electrode charge 2 = -0.00790421775 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396968 -0.559757 -0.567172 ________________________________________________________________________ Electrode charge exchange: 0.0637639764 Move Jump Cl: 0.93424 0.36865 Na: 0.93421 0.36915 ________________________________________________________________________ Create NaCl : 814041. / 2219979. = 0.36669 Destroy NaCl : 814040. / 2220746. = 0.36656 ________________________________________________________________________ Potential at left wall /kT = 1.07294674 Potential at right wall /kT = -1.06800122 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7365735 Potential at right wall /mV = -27.6087278 ________________________________________________________________________ Capacitance of left DL = 0.0390122213 Capacitance of right DL = 0.0391928724 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.05348 Capacitance of right DL [F/m2] = 36.2204303 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43730203 Adsorption of ion 1 on right wall = -5.1498652 Adsorption of ion 2 on left wall = -5.33485036 Adsorption of ion 2 on right wall = 6.73288038 ------------------------------------------------------------------------ net charge in left DL = -11.7721524 9.01889322 net charge in right DL = 11.8827456 -9.01889322 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.713757429 Relative adsorption of ion 1 on right wall = -0.571008557 Relative adsorption of ion 2 on left wall = -0.591519407 Relative adsorption of ion 2 on right wall = 0.746530668 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 745------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00683163984 Right electrode charge = -0.00683163984 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00382 Bulk concentration of Na = 1.00336 ________________________________________________________________________ Average electrode charge 1 = 0.00789888167 Average electrode charge 2 = -0.00789888167 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396718 -0.559757 -0.566922 ________________________________________________________________________ Electrode charge exchange: 0.0637581197 Move Jump Cl: 0.93427 0.36864 Na: 0.93419 0.36915 ________________________________________________________________________ Create NaCl : 819525. / 2235020. = 0.36667 Destroy NaCl : 819518. / 2235578. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.06734348 Potential at right wall /kT = -1.06287741 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5917247 Potential at right wall /mV = -27.476273 ________________________________________________________________________ Capacitance of left DL = 0.044566796 Capacitance of right DL = 0.0447540599 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2427507 Capacitance of right DL [F/m2] = 36.395038 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45475066 Adsorption of ion 1 on right wall = -5.16083927 Adsorption of ion 2 on left wall = -5.29343735 Adsorption of ion 2 on right wall = 6.72345795 ------------------------------------------------------------------------ net charge in left DL = -11.748188 10.2492012 net charge in right DL = 11.8842972 -10.2492012 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.629780853 Relative adsorption of ion 1 on right wall = -0.503535757 Relative adsorption of ion 2 on left wall = -0.516473163 Relative adsorption of ion 2 on right wall = 0.655998242 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 750------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00654917045 Right electrode charge = -0.00654917045 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00377 Bulk concentration of Na = 1.00329 ________________________________________________________________________ Average electrode charge 1 = 0.00789566926 Average electrode charge 2 = -0.00789566926 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396599 -0.559757 -0.566804 ________________________________________________________________________ Electrode charge exchange: 0.0637503754 Move Jump Cl: 0.93430 0.36865 Na: 0.93421 0.36916 ________________________________________________________________________ Create NaCl : 825069. / 2249901. = 0.36671 Destroy NaCl : 825083. / 2250782. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.06824241 Potential at right wall /kT = -1.06326198 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6149627 Potential at right wall /mV = -27.4862144 ________________________________________________________________________ Capacitance of left DL = 0.0426881302 Capacitance of right DL = 0.0428880857 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2122525 Capacitance of right DL [F/m2] = 36.3818744 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43970261 Adsorption of ion 1 on right wall = -5.16457628 Adsorption of ion 2 on left wall = -5.30116044 Adsorption of ion 2 on right wall = 6.71845467 ------------------------------------------------------------------------ net charge in left DL = -11.740863 9.82542508 net charge in right DL = 11.883031 -9.82542508 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.655412113 Relative adsorption of ion 1 on right wall = -0.525633877 Relative adsorption of ion 2 on left wall = -0.539534971 Relative adsorption of ion 2 on right wall = 0.683782596 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 755------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00701422553 Right electrode charge = -0.00701422553 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00375 Bulk concentration of Na = 1.00326 ________________________________________________________________________ Average electrode charge 1 = 0.00789317501 Average electrode charge 2 = -0.00789317501 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396556 -0.559757 -0.566760 ________________________________________________________________________ Electrode charge exchange: 0.0637339909 Move Jump Cl: 0.93431 0.36864 Na: 0.93422 0.36915 ________________________________________________________________________ Create NaCl : 830585. / 2265010. = 0.36670 Destroy NaCl : 830590. / 2265864. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.06731904 Potential at right wall /kT = -1.06232494 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5910929 Potential at right wall /mV = -27.4619912 ________________________________________________________________________ Capacitance of left DL = 0.0457589574 Capacitance of right DL = 0.0459740751 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2435806 Capacitance of right DL [F/m2] = 36.4139654 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44125084 Adsorption of ion 1 on right wall = -5.16009607 Adsorption of ion 2 on left wall = -5.29445801 Adsorption of ion 2 on right wall = 6.71936771 ------------------------------------------------------------------------ net charge in left DL = -11.7357088 10.5231263 net charge in right DL = 11.8794638 -10.5231263 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.612104301 Relative adsorption of ion 1 on right wall = -0.490357708 Relative adsorption of ion 2 on left wall = -0.503125961 Relative adsorption of ion 2 on right wall = 0.638533412 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 760------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00776652963 Right electrode charge = -0.00776652963 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00367 Bulk concentration of Na = 1.00322 ________________________________________________________________________ Average electrode charge 1 = 0.00789457304 Average electrode charge 2 = -0.00789457304 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396429 -0.559757 -0.566633 ________________________________________________________________________ Electrode charge exchange: 0.0637444393 Move Jump Cl: 0.93427 0.36860 Na: 0.93421 0.36911 ________________________________________________________________________ Create NaCl : 836050. / 2279937. = 0.36670 Destroy NaCl : 836039. / 2280826. = 0.36655 ________________________________________________________________________ Potential at left wall /kT = 1.06242495 Potential at right wall /kT = -1.05806781 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4645765 Potential at right wall /mV = -27.3519408 ________________________________________________________________________ Capacitance of left DL = 0.050900189 Capacitance of right DL = 0.0511097968 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4105377 Capacitance of right DL [F/m2] = 36.5604769 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45686552 Adsorption of ion 1 on right wall = -5.12926277 Adsorption of ion 2 on left wall = -5.2825949 Adsorption of ion 2 on right wall = 6.74416102 ------------------------------------------------------------------------ net charge in left DL = -11.7394604 11.6517742 net charge in right DL = 11.8734238 -11.6517742 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.554152993 Relative adsorption of ion 1 on right wall = -0.440213026 Relative adsorption of ion 2 on left wall = -0.453372579 Relative adsorption of ion 2 on right wall = 0.578809796 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 765------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00783234697 Right electrode charge = -0.00783234697 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00360 Bulk concentration of Na = 1.00311 ________________________________________________________________________ Average electrode charge 1 = 0.00789476357 Average electrode charge 2 = -0.00789476357 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396254 -0.559757 -0.566458 ________________________________________________________________________ Electrode charge exchange: 0.0637447994 Move Jump Cl: 0.93427 0.36859 Na: 0.93420 0.36912 ________________________________________________________________________ Create NaCl : 841473. / 2294870. = 0.36668 Destroy NaCl : 841482. / 2295843. = 0.36652 ________________________________________________________________________ Potential at left wall /kT = 1.05728463 Potential at right wall /kT = -1.0538935 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3316949 Potential at right wall /mV = -27.2440314 ________________________________________________________________________ Capacitance of left DL = 0.0515811063 Capacitance of right DL = 0.0517470796 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.587559 Capacitance of right DL [F/m2] = 36.7052873 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47347427 Adsorption of ion 1 on right wall = -5.11467823 Adsorption of ion 2 on left wall = -5.25890348 Adsorption of ion 2 on right wall = 6.75980328 ------------------------------------------------------------------------ net charge in left DL = -11.7323777 11.750517 net charge in right DL = 11.8744815 -11.750517 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.550909743 Relative adsorption of ion 1 on right wall = -0.435272614 Relative adsorption of ion 2 on left wall = -0.447546563 Relative adsorption of ion 2 on right wall = 0.575277096 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 770------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00806192531 Right electrode charge = -0.00806192531 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00357 Bulk concentration of Na = 1.00312 ________________________________________________________________________ Average electrode charge 1 = 0.00789314798 Average electrode charge 2 = -0.00789314798 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396225 -0.559757 -0.566429 ________________________________________________________________________ Electrode charge exchange: 0.0637466894 Move Jump Cl: 0.93429 0.36861 Na: 0.93425 0.36915 ________________________________________________________________________ Create NaCl : 846998. / 2309881. = 0.36668 Destroy NaCl : 847001. / 2310844. = 0.36653 ________________________________________________________________________ Potential at left wall /kT = 1.05924615 Potential at right wall /kT = -1.05560824 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3824019 Potential at right wall /mV = -27.2883589 ________________________________________________________________________ Capacitance of left DL = 0.052994711 Capacitance of right DL = 0.0531773451 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5198057 Capacitance of right DL [F/m2] = 36.6456629 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45842535 Adsorption of ion 1 on right wall = -5.108674 Adsorption of ion 2 on left wall = -5.27768813 Adsorption of ion 2 on right wall = 6.7600569 ------------------------------------------------------------------------ net charge in left DL = -11.7361135 12.094943 net charge in right DL = 11.8687309 -12.094943 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533977329 Relative adsorption of ion 1 on right wall = -0.422380991 Relative adsorption of ion 2 on left wall = -0.436354941 Relative adsorption of ion 2 on right wall = 0.558915979 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 775------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00843486859 Right electrode charge = -0.00843486859 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00346 Bulk concentration of Na = 1.00304 ________________________________________________________________________ Average electrode charge 1 = 0.00788930918 Average electrode charge 2 = -0.00788930918 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396045 -0.559757 -0.566250 ________________________________________________________________________ Electrode charge exchange: 0.0637540472 Move Jump Cl: 0.93430 0.36866 Na: 0.93424 0.36914 ________________________________________________________________________ Create NaCl : 852591. / 2324943. = 0.36671 Destroy NaCl : 852596. / 2325663. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.05874999 Potential at right wall /kT = -1.05482506 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3695758 Potential at right wall /mV = -27.268113 ________________________________________________________________________ Capacitance of left DL = 0.0554722209 Capacitance of right DL = 0.0556786293 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.53692 Capacitance of right DL [F/m2] = 36.6728714 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45385903 Adsorption of ion 1 on right wall = -5.08953076 Adsorption of ion 2 on left wall = -5.2820476 Adsorption of ion 2 on right wall = 6.767511 ------------------------------------------------------------------------ net charge in left DL = -11.7359066 12.654453 net charge in right DL = 11.8570418 -12.654453 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.510006955 Relative adsorption of ion 1 on right wall = -0.40219287 Relative adsorption of ion 2 on left wall = -0.417406237 Relative adsorption of ion 2 on right wall = 0.534792852 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 780------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00757017513 Right electrode charge = -0.00757017513 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00352 Bulk concentration of Na = 1.00310 ________________________________________________________________________ Average electrode charge 1 = 0.0078910405 Average electrode charge 2 = -0.0078910405 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396154 -0.559757 -0.566358 ________________________________________________________________________ Electrode charge exchange: 0.0637494827 Move Jump Cl: 0.93429 0.36866 Na: 0.93422 0.36914 ________________________________________________________________________ Create NaCl : 858171. / 2339924. = 0.36675 Destroy NaCl : 858172. / 2340602. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.06018386 Potential at right wall /kT = -1.05624367 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4066425 Potential at right wall /mV = -27.3047852 ________________________________________________________________________ Capacitance of left DL = 0.0497181993 Capacitance of right DL = 0.0499036673 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4875048 Capacitance of right DL [F/m2] = 36.6236172 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46741074 Adsorption of ion 1 on right wall = -5.1188571 Adsorption of ion 2 on left wall = -5.27084193 Adsorption of ion 2 on right wall = 6.74280134 ------------------------------------------------------------------------ net charge in left DL = -11.7382527 11.3571924 net charge in right DL = 11.8616584 -11.3571924 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.569455067 Relative adsorption of ion 1 on right wall = -0.450715013 Relative adsorption of ion 2 on left wall = -0.464097266 Relative adsorption of ion 2 on right wall = 0.593703191 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 785------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00862239928 Right electrode charge = -0.00862239928 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00340 Bulk concentration of Na = 1.00303 ________________________________________________________________________ Average electrode charge 1 = 0.007892516 Average electrode charge 2 = -0.007892516 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395971 -0.559757 -0.566176 ________________________________________________________________________ Electrode charge exchange: 0.0637482837 Move Jump Cl: 0.93430 0.36867 Na: 0.93422 0.36914 ________________________________________________________________________ Create NaCl : 863636. / 2354844. = 0.36675 Destroy NaCl : 863640. / 2355516. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.06135512 Potential at right wall /kT = -1.05789669 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4369206 Potential at right wall /mV = -27.3475173 ________________________________________________________________________ Capacitance of left DL = 0.0565663377 Capacitance of right DL = 0.0567512619 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4472389 Capacitance of right DL [F/m2] = 36.5663906 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48806532 Adsorption of ion 1 on right wall = -5.11059306 Adsorption of ion 2 on left wall = -5.26077353 Adsorption of ion 2 on right wall = 6.74694812 ------------------------------------------------------------------------ net charge in left DL = -11.7488389 12.9357968 net charge in right DL = 11.8575412 -12.9357968 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.501559001 Relative adsorption of ion 1 on right wall = -0.395073697 Relative adsorption of ion 2 on left wall = -0.406683377 Relative adsorption of ion 2 on right wall = 0.5215719 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 790------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00932159698 Right electrode charge = -0.00932159698 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 277 -1.00 3.0000 1.5000 Na ion: 277 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00328 Bulk concentration of Na = 1.00299 ________________________________________________________________________ Average electrode charge 1 = 0.00789140863 Average electrode charge 2 = -0.00789140863 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395820 -0.559757 -0.566025 ________________________________________________________________________ Electrode charge exchange: 0.0637421481 Move Jump Cl: 0.93432 0.36863 Na: 0.93422 0.36914 ________________________________________________________________________ Create NaCl : 869049. / 2369880. = 0.36671 Destroy NaCl : 869072. / 2370407. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.05836779 Potential at right wall /kT = -1.05579459 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3596956 Potential at right wall /mV = -27.2931761 ________________________________________________________________________ Capacitance of left DL = 0.0613259606 Capacitance of right DL = 0.0614754257 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5501142 Capacitance of right DL [F/m2] = 36.639195 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51897226 Adsorption of ion 1 on right wall = -5.09756276 Adsorption of ion 2 on left wall = -5.23780875 Adsorption of ion 2 on right wall = 6.744798 ------------------------------------------------------------------------ net charge in left DL = -11.756781 13.9847716 net charge in right DL = 11.8423608 -13.9847716 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.466147925 Relative adsorption of ion 1 on right wall = -0.364508117 Relative adsorption of ion 2 on left wall = -0.374536596 Relative adsorption of ion 2 on right wall = 0.4822959 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 795------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00894155642 Right electrode charge = -0.00894155642 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00319 Bulk concentration of Na = 1.00290 ________________________________________________________________________ Average electrode charge 1 = 0.00788682888 Average electrode charge 2 = -0.00788682888 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395628 -0.559757 -0.565833 ________________________________________________________________________ Electrode charge exchange: 0.0637314342 Move Jump Cl: 0.93431 0.36867 Na: 0.93422 0.36914 ________________________________________________________________________ Create NaCl : 874557. / 2384724. = 0.36673 Destroy NaCl : 874555. / 2385549. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.05783758 Potential at right wall /kT = -1.0557953 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3459893 Potential at right wall /mV = -27.2931945 ________________________________________________________________________ Capacitance of left DL = 0.058855192 Capacitance of right DL = 0.0589690389 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5684338 Capacitance of right DL [F/m2] = 36.6391702 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51928194 Adsorption of ion 1 on right wall = -5.09530171 Adsorption of ion 2 on left wall = -5.23163842 Adsorption of ion 2 on right wall = 6.74003642 ------------------------------------------------------------------------ net charge in left DL = -11.7509204 13.4146139 net charge in right DL = 11.8353381 -13.4146139 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.48598357 Relative adsorption of ion 1 on right wall = -0.379832156 Relative adsorption of ion 2 on left wall = -0.389995454 Relative adsorption of ion 2 on right wall = 0.502439838 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 800------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00791012524 Right electrode charge = -0.00791012524 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 268 -1.00 3.0000 1.5000 Na ion: 268 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00295 Bulk concentration of Na = 1.00272 ________________________________________________________________________ Average electrode charge 1 = 0.00788759578 Average electrode charge 2 = -0.00788759578 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395214 -0.559757 -0.565419 ________________________________________________________________________ Electrode charge exchange: 0.0637256663 Move Jump Cl: 0.93432 0.36871 Na: 0.93423 0.36912 ________________________________________________________________________ Create NaCl : 880146. / 2399584. = 0.36679 Destroy NaCl : 880178. / 2400790. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.0586227 Potential at right wall /kT = -1.05650995 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3662851 Potential at right wall /mV = -27.3116688 ________________________________________________________________________ Capacitance of left DL = 0.0520274825 Capacitance of right DL = 0.0521315241 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5413134 Capacitance of right DL [F/m2] = 36.6143866 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52025222 Adsorption of ion 1 on right wall = -5.08321372 Adsorption of ion 2 on left wall = -5.23931748 Adsorption of ion 2 on right wall = 6.74645158 ------------------------------------------------------------------------ net charge in left DL = -11.7595697 11.8672042 net charge in right DL = 11.8296653 -11.8672042 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.549434569 Relative adsorption of ion 1 on right wall = -0.428341304 Relative adsorption of ion 2 on left wall = -0.44149552 Relative adsorption of ion 2 on right wall = 0.568495449 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 805------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00649015845 Right electrode charge = -0.00649015845 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00290 Bulk concentration of Na = 1.00265 ________________________________________________________________________ Average electrode charge 1 = 0.0078846229 Average electrode charge 2 = -0.0078846229 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395093 -0.559757 -0.565298 ________________________________________________________________________ Electrode charge exchange: 0.0637296242 Move Jump Cl: 0.93433 0.36870 Na: 0.93422 0.36913 ________________________________________________________________________ Create NaCl : 885671. / 2414610. = 0.36680 Destroy NaCl : 885663. / 2415561. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.05936748 Potential at right wall /kT = -1.05648078 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3855384 Potential at right wall /mV = -27.3109147 ________________________________________________________________________ Capacitance of left DL = 0.0426578845 Capacitance of right DL = 0.042774442 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5156231 Capacitance of right DL [F/m2] = 36.6153976 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52212699 Adsorption of ion 1 on right wall = -5.06344247 Adsorption of ion 2 on left wall = -5.23162875 Adsorption of ion 2 on right wall = 6.76379061 ------------------------------------------------------------------------ net charge in left DL = -11.7537557 9.73689205 net charge in right DL = 11.8272331 -9.73689205 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.669836633 Relative adsorption of ion 1 on right wall = -0.52002656 Relative adsorption of ion 2 on left wall = -0.537299656 Relative adsorption of ion 2 on right wall = 0.694656013 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 810------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00499210828 Right electrode charge = -0.00499210828 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00283 Bulk concentration of Na = 1.00257 ________________________________________________________________________ Average electrode charge 1 = 0.00788227935 Average electrode charge 2 = -0.00788227935 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394945 -0.559757 -0.565150 ________________________________________________________________________ Electrode charge exchange: 0.0637372825 Move Jump Cl: 0.93433 0.36873 Na: 0.93421 0.36916 ________________________________________________________________________ Create NaCl : 891150. / 2429513. = 0.36680 Destroy NaCl : 891144. / 2430538. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.06040716 Potential at right wall /kT = -1.05710796 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4124149 Potential at right wall /mV = -27.3271279 ________________________________________________________________________ Capacitance of left DL = 0.0327794754 Capacitance of right DL = 0.032881779 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4798214 Capacitance of right DL [F/m2] = 36.5936737 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50246428 Adsorption of ion 1 on right wall = -5.04994806 Adsorption of ion 2 on left wall = -5.24864522 Adsorption of ion 2 on right wall = 6.77475786 ------------------------------------------------------------------------ net charge in left DL = -11.7511095 7.48943493 net charge in right DL = 11.8247059 -7.48943493 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.868218276 Relative adsorption of ion 1 on right wall = -0.674276245 Relative adsorption of ion 2 on left wall = -0.700806572 Relative adsorption of ion 2 on right wall = 0.904575301 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 815------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00830419697 Right electrode charge = -0.00830419697 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00284 Bulk concentration of Na = 1.00262 ________________________________________________________________________ Average electrode charge 1 = 0.00788548222 Average electrode charge 2 = -0.00788548222 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395005 -0.559757 -0.565210 ________________________________________________________________________ Electrode charge exchange: 0.0637343108 Move Jump Cl: 0.93432 0.36871 Na: 0.93423 0.36910 ________________________________________________________________________ Create NaCl : 896618. / 2444496. = 0.36679 Destroy NaCl : 896607. / 2445525. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.05600449 Potential at right wall /kT = -1.05263287 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2986023 Potential at right wall /mV = -27.2114431 ________________________________________________________________________ Capacitance of left DL = 0.0547548418 Capacitance of right DL = 0.0549302236 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.631912 Capacitance of right DL [F/m2] = 36.7492454 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51553115 Adsorption of ion 1 on right wall = -5.04970913 Adsorption of ion 2 on left wall = -5.24027315 Adsorption of ion 2 on right wall = 6.77299066 ------------------------------------------------------------------------ net charge in left DL = -11.7558043 12.4584122 net charge in right DL = 11.8226998 -12.4584122 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.522982466 Relative adsorption of ion 1 on right wall = -0.405325256 Relative adsorption of ion 2 on left wall = -0.420621268 Relative adsorption of ion 2 on right wall = 0.543647981 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 820------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00772414093 Right electrode charge = -0.00772414093 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00288 Bulk concentration of Na = 1.00266 ________________________________________________________________________ Average electrode charge 1 = 0.0078843457 Average electrode charge 2 = -0.0078843457 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395083 -0.559757 -0.565288 ________________________________________________________________________ Electrode charge exchange: 0.0637318692 Move Jump Cl: 0.93432 0.36868 Na: 0.93423 0.36911 ________________________________________________________________________ Create NaCl : 902050. / 2459501. = 0.36676 Destroy NaCl : 902071. / 2460510. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.05854771 Potential at right wall /kT = -1.05436518 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3643465 Potential at right wall /mV = -27.2562246 ________________________________________________________________________ Capacitance of left DL = 0.0508078019 Capacitance of right DL = 0.0510093499 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5439021 Capacitance of right DL [F/m2] = 36.688867 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53072112 Adsorption of ion 1 on right wall = -5.04145418 Adsorption of ion 2 on left wall = -5.22676091 Adsorption of ion 2 on right wall = 6.77966176 ------------------------------------------------------------------------ net charge in left DL = -11.757482 11.5881803 net charge in right DL = 11.8211159 -11.5881803 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.563567441 Relative adsorption of ion 1 on right wall = -0.43505141 Relative adsorption of ion 2 on left wall = -0.451042421 Relative adsorption of ion 2 on right wall = 0.585049729 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 825------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00844434312 Right electrode charge = -0.00844434312 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00294 Bulk concentration of Na = 1.00271 ________________________________________________________________________ Average electrode charge 1 = 0.00787736183 Average electrode charge 2 = -0.00787736183 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395193 -0.559757 -0.565398 ________________________________________________________________________ Electrode charge exchange: 0.0637329123 Move Jump Cl: 0.93435 0.36866 Na: 0.93425 0.36910 ________________________________________________________________________ Create NaCl : 907532. / 2474520. = 0.36675 Destroy NaCl : 907522. / 2475259. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.05656379 Potential at right wall /kT = -1.0508641 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3130605 Potential at right wall /mV = -27.1657189 ________________________________________________________________________ Capacitance of left DL = 0.0556494407 Capacitance of right DL = 0.0559512724 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6125209 Capacitance of right DL [F/m2] = 36.8111001 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50329316 Adsorption of ion 1 on right wall = -5.03141684 Adsorption of ion 2 on left wall = -5.24155487 Adsorption of ion 2 on right wall = 6.77848503 ------------------------------------------------------------------------ net charge in left DL = -11.744848 12.6686672 net charge in right DL = 11.8099019 -12.6686672 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.513336807 Relative adsorption of ion 1 on right wall = -0.397154394 Relative adsorption of ion 2 on left wall = -0.413741619 Relative adsorption of ion 2 on right wall = 0.53505905 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 830------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00614567168 Right electrode charge = -0.00614567168 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00287 Bulk concentration of Na = 1.00260 ________________________________________________________________________ Average electrode charge 1 = 0.00787750733 Average electrode charge 2 = -0.00787750733 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395017 -0.559757 -0.565221 ________________________________________________________________________ Electrode charge exchange: 0.0637412883 Move Jump Cl: 0.93436 0.36868 Na: 0.93430 0.36912 ________________________________________________________________________ Create NaCl : 913127. / 2489635. = 0.36677 Destroy NaCl : 913119. / 2490373. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.05887098 Potential at right wall /kT = -1.05300752 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3727036 Potential at right wall /mV = -27.2211281 ________________________________________________________________________ Capacitance of left DL = 0.0404126156 Capacitance of right DL = 0.0406376452 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.532745 Capacitance of right DL [F/m2] = 36.7361704 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50226523 Adsorption of ion 1 on right wall = -5.02541992 Adsorption of ion 2 on left wall = -5.23794427 Adsorption of ion 2 on right wall = 6.79292019 ------------------------------------------------------------------------ net charge in left DL = -11.7402095 9.22007408 net charge in right DL = 11.8183401 -9.22007408 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.705229174 Relative adsorption of ion 1 on right wall = -0.545052011 Relative adsorption of ion 2 on left wall = -0.568102189 Relative adsorption of ion 2 on right wall = 0.73675332 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 835------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00770830162 Right electrode charge = -0.00770830162 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00282 Bulk concentration of Na = 1.00255 ________________________________________________________________________ Average electrode charge 1 = 0.00787372716 Average electrode charge 2 = -0.00787372716 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394912 -0.559757 -0.565116 ________________________________________________________________________ Electrode charge exchange: 0.063769938 Move Jump Cl: 0.93437 0.36874 Na: 0.93428 0.36912 ________________________________________________________________________ Create NaCl : 918641. / 2504668. = 0.36677 Destroy NaCl : 918638. / 2505199. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.05269488 Potential at right wall /kT = -1.0465805 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2130462 Potential at right wall /mV = -27.0549841 ________________________________________________________________________ Capacitance of left DL = 0.0509855185 Capacitance of right DL = 0.0512833888 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7470805 Capacitance of right DL [F/m2] = 36.9617663 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49832611 Adsorption of ion 1 on right wall = -5.00624884 Adsorption of ion 2 on left wall = -5.23142208 Adsorption of ion 2 on right wall = 6.8024395 ------------------------------------------------------------------------ net charge in left DL = -11.7297482 11.5644173 net charge in right DL = 11.8086883 -11.5644173 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.561924214 Relative adsorption of ion 1 on right wall = -0.432901088 Relative adsorption of ion 2 on left wall = -0.452372302 Relative adsorption of ion 2 on right wall = 0.588221552 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 840------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00672408367 Right electrode charge = -0.00672408367 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00283 Bulk concentration of Na = 1.00257 ________________________________________________________________________ Average electrode charge 1 = 0.0078713625 Average electrode charge 2 = -0.0078713625 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394942 -0.559757 -0.565147 ________________________________________________________________________ Electrode charge exchange: 0.0637744698 Move Jump Cl: 0.93436 0.36870 Na: 0.93426 0.36915 ________________________________________________________________________ Create NaCl : 924159. / 2519760. = 0.36676 Destroy NaCl : 924171. / 2520300. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.05474785 Potential at right wall /kT = -1.04828744 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2661171 Potential at right wall /mV = -27.09911 ________________________________________________________________________ Capacitance of left DL = 0.0443889745 Capacitance of right DL = 0.0446625361 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6755558 Capacitance of right DL [F/m2] = 36.9015809 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50772216 Adsorption of ion 1 on right wall = -5.01890741 Adsorption of ion 2 on left wall = -5.22131687 Adsorption of ion 2 on right wall = 6.78638016 ------------------------------------------------------------------------ net charge in left DL = -11.729039 10.0878395 net charge in right DL = 11.8052876 -10.0878395 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.64510564 Relative adsorption of ion 1 on right wall = -0.497520545 Relative adsorption of ion 2 on left wall = -0.517585244 Relative adsorption of ion 2 on right wall = 0.672728799 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 845------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00956059163 Right electrode charge = -0.00956059163 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00288 Bulk concentration of Na = 1.00258 ________________________________________________________________________ Average electrode charge 1 = 0.00786817311 Average electrode charge 2 = -0.00786817311 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395009 -0.559757 -0.565213 ________________________________________________________________________ Electrode charge exchange: 0.0637747042 Move Jump Cl: 0.93437 0.36868 Na: 0.93422 0.36918 ________________________________________________________________________ Create NaCl : 929565. / 2534684. = 0.36674 Destroy NaCl : 929565. / 2535393. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.06159917 Potential at right wall /kT = -1.05575848 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4432294 Potential at right wall /mV = -27.2922426 ________________________________________________________________________ Capacitance of left DL = 0.0627068308 Capacitance of right DL = 0.0630537389 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4388603 Capacitance of right DL [F/m2] = 36.6404481 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.49904881 Adsorption of ion 1 on right wall = -5.04286815 Adsorption of ion 2 on left wall = -5.22385729 Adsorption of ion 2 on right wall = 6.76931805 ------------------------------------------------------------------------ net charge in left DL = -11.7229061 14.3433245 net charge in right DL = 11.8121862 -14.3433245 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.453106169 Relative adsorption of ion 1 on right wall = -0.351582937 Relative adsorption of ion 2 on left wall = -0.364201291 Relative adsorption of ion 2 on right wall = 0.471949028 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 850------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00815944179 Right electrode charge = -0.00815944179 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00300 Bulk concentration of Na = 1.00273 ________________________________________________________________________ Average electrode charge 1 = 0.00786554684 Average electrode charge 2 = -0.00786554684 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395278 -0.559757 -0.565482 ________________________________________________________________________ Electrode charge exchange: 0.0637726653 Move Jump Cl: 0.93438 0.36864 Na: 0.93417 0.36919 ________________________________________________________________________ Create NaCl : 935120. / 2549940. = 0.36672 Destroy NaCl : 935133. / 2550338. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.06222364 Potential at right wall /kT = -1.057317 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4593724 Potential at right wall /mV = -27.3325318 ________________________________________________________________________ Capacitance of left DL = 0.0534853866 Capacitance of right DL = 0.0537335934 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4174382 Capacitance of right DL [F/m2] = 36.5864387 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5094934 Adsorption of ion 1 on right wall = -5.06426778 Adsorption of ion 2 on left wall = -5.21632309 Adsorption of ion 2 on right wall = 6.73911416 ------------------------------------------------------------------------ net charge in left DL = -11.7258165 12.2412426 net charge in right DL = 11.8033819 -12.2412426 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.531767373 Relative adsorption of ion 1 on right wall = -0.41370537 Relative adsorption of ion 2 on left wall = -0.426126928 Relative adsorption of ion 2 on right wall = 0.550525335 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 855------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00525563175 Right electrode charge = -0.00525563175 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 271 -1.00 3.0000 1.5000 Na ion: 271 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00304 Bulk concentration of Na = 1.00275 ________________________________________________________________________ Average electrode charge 1 = 0.00786316962 Average electrode charge 2 = -0.00786316962 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395330 -0.559757 -0.565535 ________________________________________________________________________ Electrode charge exchange: 0.0637834274 Move Jump Cl: 0.93437 0.36864 Na: 0.93416 0.36918 ________________________________________________________________________ Create NaCl : 940623. / 2564979. = 0.36672 Destroy NaCl : 940652. / 2565290. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.06364157 Potential at right wall /kT = -1.05829567 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4960272 Potential at right wall /mV = -27.3578311 ________________________________________________________________________ Capacitance of left DL = 0.0344048983 Capacitance of right DL = 0.0345786921 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3688905 Capacitance of right DL [F/m2] = 36.5526052 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51242617 Adsorption of ion 1 on right wall = -5.06690931 Adsorption of ion 2 on left wall = -5.20643987 Adsorption of ion 2 on right wall = 6.73814668 ------------------------------------------------------------------------ net charge in left DL = -11.718866 7.8847873 net charge in right DL = 11.805056 -7.8847873 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.825948236 Relative adsorption of ion 1 on right wall = -0.642618389 Relative adsorption of ion 2 on left wall = -0.660314561 Relative adsorption of ion 2 on right wall = 0.85457558 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 860------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00753998619 Right electrode charge = -0.00753998619 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00319 Bulk concentration of Na = 1.00292 ________________________________________________________________________ Average electrode charge 1 = 0.00785841434 Average electrode charge 2 = -0.00785841434 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395658 -0.559757 -0.565863 ________________________________________________________________________ Electrode charge exchange: 0.0637980349 Move Jump Cl: 0.93437 0.36863 Na: 0.93413 0.36914 ________________________________________________________________________ Create NaCl : 946132. / 2580100. = 0.36670 Destroy NaCl : 946144. / 2580296. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.06729406 Potential at right wall /kT = -1.06160429 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5904471 Potential at right wall /mV = -27.4433619 ________________________________________________________________________ Capacitance of left DL = 0.0491900326 Capacitance of right DL = 0.0494536711 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2444289 Capacitance of right DL [F/m2] = 36.4386843 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48664683 Adsorption of ion 1 on right wall = -5.06926451 Adsorption of ion 2 on left wall = -5.23065992 Adsorption of ion 2 on right wall = 6.72860549 ------------------------------------------------------------------------ net charge in left DL = -11.7173067 11.3119013 net charge in right DL = 11.79787 -11.3119013 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.573435595 Relative adsorption of ion 1 on right wall = -0.448135498 Relative adsorption of ion 2 on left wall = -0.462403251 Relative adsorption of ion 2 on right wall = 0.594825338 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 865------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00936453151 Right electrode charge = -0.00936453151 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00334 Bulk concentration of Na = 1.00304 ________________________________________________________________________ Average electrode charge 1 = 0.00785913843 Average electrode charge 2 = -0.00785913843 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395926 -0.559757 -0.566131 ________________________________________________________________________ Electrode charge exchange: 0.0637964381 Move Jump Cl: 0.93437 0.36861 Na: 0.93416 0.36911 ________________________________________________________________________ Create NaCl : 951610. / 2595094. = 0.36670 Destroy NaCl : 951618. / 2595265. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.07011031 Potential at right wall /kT = -1.06389687 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6632496 Potential at right wall /mV = -27.5026269 ________________________________________________________________________ Capacitance of left DL = 0.0609323824 Capacitance of right DL = 0.0612882439 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.149043 Capacitance of right DL [F/m2] = 36.3601631 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.46336026 Adsorption of ion 1 on right wall = -5.08101951 Adsorption of ion 2 on left wall = -5.25363586 Adsorption of ion 2 on right wall = 6.72301752 ------------------------------------------------------------------------ net charge in left DL = -11.7169961 14.0491843 net charge in right DL = 11.804037 -14.0491843 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.460052349 Relative adsorption of ion 1 on right wall = -0.361659395 Relative adsorption of ion 2 on left wall = -0.37394597 Relative adsorption of ion 2 on right wall = 0.478534366 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 870------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00753289386 Right electrode charge = -0.00753289386 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00341 Bulk concentration of Na = 1.00312 ________________________________________________________________________ Average electrode charge 1 = 0.0078590963 Average electrode charge 2 = -0.0078590963 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396074 -0.559757 -0.566278 ________________________________________________________________________ Electrode charge exchange: 0.0637949894 Move Jump Cl: 0.93437 0.36858 Na: 0.93414 0.36912 ________________________________________________________________________ Create NaCl : 957048. / 2610108. = 0.36667 Destroy NaCl : 957037. / 2610152. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06696496 Potential at right wall /kT = -1.0607142 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5819397 Potential at right wall /mV = -27.4203523 ________________________________________________________________________ Capacitance of left DL = 0.0491589211 Capacitance of right DL = 0.0494486133 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2556083 Capacitance of right DL [F/m2] = 36.4692616 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45247653 Adsorption of ion 1 on right wall = -5.0742637 Adsorption of ion 2 on left wall = -5.26259119 Adsorption of ion 2 on right wall = 6.72728448 ------------------------------------------------------------------------ net charge in left DL = -11.7150677 11.301261 net charge in right DL = 11.8015482 -11.301261 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.57095191 Relative adsorption of ion 1 on right wall = -0.448999782 Relative adsorption of ion 2 on left wall = -0.465664072 Relative adsorption of ion 2 on right wall = 0.595268484 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 875------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00783865235 Right electrode charge = -0.00783865235 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00342 Bulk concentration of Na = 1.00314 ________________________________________________________________________ Average electrode charge 1 = 0.00785501851 Average electrode charge 2 = -0.00785501851 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.396105 -0.559757 -0.566310 ________________________________________________________________________ Electrode charge exchange: 0.0637980248 Move Jump Cl: 0.93436 0.36860 Na: 0.93410 0.36913 ________________________________________________________________________ Create NaCl : 962523. / 2625126. = 0.36666 Destroy NaCl : 962521. / 2625139. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06152574 Potential at right wall /kT = -1.05480608 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4413312 Potential at right wall /mV = -27.2676224 ________________________________________________________________________ Capacitance of left DL = 0.0514163836 Capacitance of right DL = 0.0517439324 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4413808 Capacitance of right DL [F/m2] = 36.6735312 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43439449 Adsorption of ion 1 on right wall = -5.07213865 Adsorption of ion 2 on left wall = -5.27321685 Adsorption of ion 2 on right wall = 6.71753611 ------------------------------------------------------------------------ net charge in left DL = -11.7076113 11.7599766 net charge in right DL = 11.7896748 -11.7599766 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.547143476 Relative adsorption of ion 1 on right wall = -0.431305164 Relative adsorption of ion 2 on left wall = -0.448403684 Relative adsorption of ion 2 on right wall = 0.571220192 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 880------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0090760101 Right electrode charge = -0.0090760101 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00329 Bulk concentration of Na = 1.00302 ________________________________________________________________________ Average electrode charge 1 = 0.00785636967 Average electrode charge 2 = -0.00785636967 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395854 -0.559757 -0.566058 ________________________________________________________________________ Electrode charge exchange: 0.0637836884 Move Jump Cl: 0.93436 0.36857 Na: 0.93408 0.36913 ________________________________________________________________________ Create NaCl : 968018. / 2640051. = 0.36667 Destroy NaCl : 968037. / 2640314. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.061132 Potential at right wall /kT = -1.05435476 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4311527 Potential at right wall /mV = -27.2559553 ________________________________________________________________________ Capacitance of left DL = 0.0595547232 Capacitance of right DL = 0.0599375326 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4549025 Capacitance of right DL [F/m2] = 36.6892295 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.43895639 Adsorption of ion 1 on right wall = -5.07481918 Adsorption of ion 2 on left wall = -5.27288177 Adsorption of ion 2 on right wall = 6.71381501 ------------------------------------------------------------------------ net charge in left DL = -11.7118382 13.6163287 net charge in right DL = 11.7886342 -13.6163287 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.472884913 Relative adsorption of ion 1 on right wall = -0.372700991 Relative adsorption of ion 2 on left wall = -0.387246952 Relative adsorption of ion 2 on right wall = 0.49307087 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 885------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0108588565 Right electrode charge = -0.0108588565 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00317 Bulk concentration of Na = 1.00292 ________________________________________________________________________ Average electrode charge 1 = 0.00785884165 Average electrode charge 2 = -0.00785884165 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395628 -0.559757 -0.565832 ________________________________________________________________________ Electrode charge exchange: 0.0637756603 Move Jump Cl: 0.93438 0.36859 Na: 0.93405 0.36913 ________________________________________________________________________ Create NaCl : 973601. / 2655056. = 0.36670 Destroy NaCl : 973600. / 2655264. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.06345374 Potential at right wall /kT = -1.05687532 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4911715 Potential at right wall /mV = -27.321114 ________________________________________________________________________ Capacitance of left DL = 0.0710977973 Capacitance of right DL = 0.0715403383 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3753142 Capacitance of right DL [F/m2] = 36.6017286 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.45666299 Adsorption of ion 1 on right wall = -5.085192 Adsorption of ion 2 on left wall = -5.26245686 Adsorption of ion 2 on right wall = 6.70722054 ------------------------------------------------------------------------ net charge in left DL = -11.7191199 16.2910527 net charge in right DL = 11.7924125 -16.2910527 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.396331845 Relative adsorption of ion 1 on right wall = -0.31214631 Relative adsorption of ion 2 on left wall = -0.323027428 Relative adsorption of ion 2 on right wall = 0.411711916 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 890------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0099652814 Right electrode charge = -0.0099652814 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 277 -1.00 3.0000 1.5000 Na ion: 277 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00321 Bulk concentration of Na = 1.00302 ________________________________________________________________________ Average electrode charge 1 = 0.00785955479 Average electrode charge 2 = -0.00785955479 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395766 -0.559757 -0.565971 ________________________________________________________________________ Electrode charge exchange: 0.0637768795 Move Jump Cl: 0.93440 0.36863 Na: 0.93404 0.36913 ________________________________________________________________________ Create NaCl : 979113. / 2669919. = 0.36672 Destroy NaCl : 979136. / 2670263. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.0628672 Potential at right wall /kT = -1.05628818 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4760092 Potential at right wall /mV = -27.3059358 ________________________________________________________________________ Capacitance of left DL = 0.0652831668 Capacitance of right DL = 0.0656897789 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3953875 Capacitance of right DL [F/m2] = 36.6220739 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.44526966 Adsorption of ion 1 on right wall = -5.08935225 Adsorption of ion 2 on left wall = -5.28347804 Adsorption of ion 2 on right wall = 6.69476747 ------------------------------------------------------------------------ net charge in left DL = -11.7287477 14.9504623 net charge in right DL = 11.7841197 -14.9504623 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.431108385 Relative adsorption of ion 1 on right wall = -0.340414373 Relative adsorption of ion 2 on left wall = -0.353398974 Relative adsorption of ion 2 on right wall = 0.447796686 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 895------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00631531389 Right electrode charge = -0.00631531389 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00310 Bulk concentration of Na = 1.00293 ________________________________________________________________________ Average electrode charge 1 = 0.0078624667 Average electrode charge 2 = -0.0078624667 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395568 -0.559757 -0.565773 ________________________________________________________________________ Electrode charge exchange: 0.0637824944 Move Jump Cl: 0.93438 0.36861 Na: 0.93405 0.36913 ________________________________________________________________________ Create NaCl : 984662. / 2684983. = 0.36673 Destroy NaCl : 984663. / 2685198. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 1.06103941 Potential at right wall /kT = -1.05461301 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4287591 Potential at right wall /mV = -27.2626313 ________________________________________________________________________ Capacitance of left DL = 0.0414432762 Capacitance of right DL = 0.0416958152 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4580839 Capacitance of right DL [F/m2] = 36.6802451 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.47339262 Adsorption of ion 1 on right wall = -5.08919398 Adsorption of ion 2 on left wall = -5.26110696 Adsorption of ion 2 on right wall = 6.69469528 ------------------------------------------------------------------------ net charge in left DL = -11.7344996 9.47458063 net charge in right DL = 11.7838893 -9.47458063 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.683237904 Relative adsorption of ion 1 on right wall = -0.537141872 Relative adsorption of ion 2 on left wall = -0.555286525 Relative adsorption of ion 2 on right wall = 0.70659542 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 900------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00763656471 Right electrode charge = -0.00763656471 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00317 Bulk concentration of Na = 1.00300 ________________________________________________________________________ Average electrode charge 1 = 0.00786220438 Average electrode charge 2 = -0.00786220438 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395716 -0.559757 -0.565921 ________________________________________________________________________ Electrode charge exchange: 0.0637738539 Move Jump Cl: 0.93437 0.36859 Na: 0.93408 0.36913 ________________________________________________________________________ Create NaCl : 990154. / 2700122. = 0.36671 Destroy NaCl : 990150. / 2700222. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.06599983 Potential at right wall /kT = -1.05914525 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5569902 Potential at right wall /mV = -27.3797935 ________________________________________________________________________ Capacitance of left DL = 0.0498805868 Capacitance of right DL = 0.0502034042 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2884333 Capacitance of right DL [F/m2] = 36.523285 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.48866503 Adsorption of ion 1 on right wall = -5.10751062 Adsorption of ion 2 on left wall = -5.24815947 Adsorption of ion 2 on right wall = 6.68018988 ------------------------------------------------------------------------ net charge in left DL = -11.7368245 11.4567937 net charge in right DL = 11.7877005 -11.4567937 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566359596 Relative adsorption of ion 1 on right wall = -0.445806285 Relative adsorption of ion 2 on left wall = -0.458082743 Relative adsorption of ion 2 on right wall = 0.583076738 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 905------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00897194599 Right electrode charge = -0.00897194599 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 267 -1.00 3.0000 1.5000 Na ion: 267 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00310 Bulk concentration of Na = 1.00293 ________________________________________________________________________ Average electrode charge 1 = 0.00786162023 Average electrode charge 2 = -0.00786162023 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395571 -0.559757 -0.565776 ________________________________________________________________________ Electrode charge exchange: 0.0637839132 Move Jump Cl: 0.93437 0.36861 Na: 0.93406 0.36911 ________________________________________________________________________ Create NaCl : 995573. / 2715012. = 0.36669 Destroy NaCl : 995606. / 2715403. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.06207177 Potential at right wall /kT = -1.05640397 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4554465 Potential at right wall /mV = -27.308929 ________________________________________________________________________ Capacitance of left DL = 0.0588197858 Capacitance of right DL = 0.0591353648 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4226457 Capacitance of right DL [F/m2] = 36.6180599 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.4970038 Adsorption of ion 1 on right wall = -5.10340264 Adsorption of ion 2 on left wall = -5.23710889 Adsorption of ion 2 on right wall = 6.68120142 ------------------------------------------------------------------------ net charge in left DL = -11.7341127 13.460206 net charge in right DL = 11.7846041 -13.460206 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.482682347 Relative adsorption of ion 1 on right wall = -0.379147441 Relative adsorption of ion 2 on left wall = -0.389080888 Relative adsorption of ion 2 on right wall = 0.496366953 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 910------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00813229625 Right electrode charge = -0.00813229625 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00297 Bulk concentration of Na = 1.00279 ________________________________________________________________________ Average electrode charge 1 = 0.00786312208 Average electrode charge 2 = -0.00786312208 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395307 -0.559757 -0.565512 ________________________________________________________________________ Electrode charge exchange: 0.0637857546 Move Jump Cl: 0.93436 0.36858 Na: 0.93408 0.36910 ________________________________________________________________________ Create NaCl : 1001005. / 2729928. = 0.36668 Destroy NaCl : 1001015. / 2730533. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.05953322 Potential at right wall /kT = -1.05378174 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3898229 Potential at right wall /mV = -27.2411422 ________________________________________________________________________ Capacitance of left DL = 0.0534428076 Capacitance of right DL = 0.0537344956 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5099111 Capacitance of right DL [F/m2] = 36.7091803 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50977752 Adsorption of ion 1 on right wall = -5.08776689 Adsorption of ion 2 on left wall = -5.22258878 Adsorption of ion 2 on right wall = 6.69948622 ------------------------------------------------------------------------ net charge in left DL = -11.7323663 12.2005173 net charge in right DL = 11.7872531 -12.2005173 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.533565696 Relative adsorption of ion 1 on right wall = -0.41701239 Relative adsorption of ion 2 on left wall = -0.428062896 Relative adsorption of ion 2 on right wall = 0.54911493 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 915------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00823367691 Right electrode charge = -0.00823367691 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 266 -1.00 3.0000 1.5000 Na ion: 266 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00304 Bulk concentration of Na = 1.00288 ________________________________________________________________________ Average electrode charge 1 = 0.00786247604 Average electrode charge 2 = -0.00786247604 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395461 -0.559757 -0.565665 ________________________________________________________________________ Electrode charge exchange: 0.0637802046 Move Jump Cl: 0.93436 0.36860 Na: 0.93410 0.36909 ________________________________________________________________________ Create NaCl : 1006564. / 2745070. = 0.36668 Destroy NaCl : 1006598. / 2745652. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.05540342 Potential at right wall /kT = -1.05018444 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2830641 Potential at right wall /mV = -27.1481491 ________________________________________________________________________ Capacitance of left DL = 0.0543207774 Capacitance of right DL = 0.0545907291 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6527746 Capacitance of right DL [F/m2] = 36.8349237 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.50659694 Adsorption of ion 1 on right wall = -5.08254031 Adsorption of ion 2 on left wall = -5.22587479 Adsorption of ion 2 on right wall = 6.69732566 ------------------------------------------------------------------------ net charge in left DL = -11.7324717 12.3526142 net charge in right DL = 11.779866 -12.3526142 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.526738458 Relative adsorption of ion 1 on right wall = -0.411454632 Relative adsorption of ion 2 on left wall = -0.423058206 Relative adsorption of ion 2 on right wall = 0.542178811 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 920------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00775092562 Right electrode charge = -0.00775092562 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00292 Bulk concentration of Na = 1.00278 ________________________________________________________________________ Average electrode charge 1 = 0.00786259017 Average electrode charge 2 = -0.00786259017 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395245 -0.559757 -0.565450 ________________________________________________________________________ Electrode charge exchange: 0.0637846797 Move Jump Cl: 0.93438 0.36860 Na: 0.93408 0.36908 ________________________________________________________________________ Create NaCl : 1012094. / 2759901. = 0.36671 Destroy NaCl : 1012112. / 2760627. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.05247319 Potential at right wall /kT = -1.04721759 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2073151 Potential at right wall /mV = -27.0714535 ________________________________________________________________________ Capacitance of left DL = 0.0512782484 Capacitance of right DL = 0.0515355949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7548211 Capacitance of right DL [F/m2] = 36.9392799 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52403775 Adsorption of ion 1 on right wall = -5.07385654 Adsorption of ion 2 on left wall = -5.21103659 Adsorption of ion 2 on right wall = 6.69952836 ------------------------------------------------------------------------ net charge in left DL = -11.7350743 11.6283642 net charge in right DL = 11.7733849 -11.6283642 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.561045187 Relative adsorption of ion 1 on right wall = -0.436334506 Relative adsorption of ion 2 on left wall = -0.448131526 Relative adsorption of ion 2 on right wall = 0.576136786 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 925------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00673627643 Right electrode charge = -0.00673627643 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00295 Bulk concentration of Na = 1.00281 ________________________________________________________________________ Average electrode charge 1 = 0.00786012149 Average electrode charge 2 = -0.00786012149 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395304 -0.559757 -0.565508 ________________________________________________________________________ Electrode charge exchange: 0.0637926913 Move Jump Cl: 0.93437 0.36864 Na: 0.93407 0.36906 ________________________________________________________________________ Create NaCl : 1017614. / 2774886. = 0.36672 Destroy NaCl : 1017636. / 2775618. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.05739559 Potential at right wall /kT = -1.05186583 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3345633 Potential at right wall /mV = -27.1916145 ________________________________________________________________________ Capacitance of left DL = 0.0443581126 Capacitance of right DL = 0.0445913074 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5837196 Capacitance of right DL [F/m2] = 36.7760436 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52945109 Adsorption of ion 1 on right wall = -5.08753539 Adsorption of ion 2 on left wall = -5.20521876 Adsorption of ion 2 on right wall = 6.6861652 ------------------------------------------------------------------------ net charge in left DL = -11.7346699 10.1061317 net charge in right DL = 11.7737006 -10.1061317 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.646088064 Relative adsorption of ion 1 on right wall = -0.503410753 Relative adsorption of ion 2 on left wall = -0.515055502 Relative adsorption of ion 2 on right wall = 0.661594898 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 930------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00752069559 Right electrode charge = -0.00752069559 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00304 Bulk concentration of Na = 1.00291 ________________________________________________________________________ Average electrode charge 1 = 0.0078583599 Average electrode charge 2 = -0.0078583599 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395487 -0.559757 -0.565692 ________________________________________________________________________ Electrode charge exchange: 0.0637920398 Move Jump Cl: 0.93435 0.36864 Na: 0.93407 0.36903 ________________________________________________________________________ Create NaCl : 1023209. / 2789863. = 0.36676 Destroy NaCl : 1023210. / 2790759. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.05304243 Potential at right wall /kT = -1.04743378 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2220306 Potential at right wall /mV = -27.0770421 ________________________________________________________________________ Capacitance of left DL = 0.049728206 Capacitance of right DL = 0.0499944838 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7349525 Capacitance of right DL [F/m2] = 36.9316558 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.51262485 Adsorption of ion 1 on right wall = -5.09687094 Adsorption of ion 2 on left wall = -5.21700595 Adsorption of ion 2 on right wall = 6.6704893 ------------------------------------------------------------------------ net charge in left DL = -11.7296308 11.2829604 net charge in right DL = 11.7673602 -11.2829604 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.57720887 Relative adsorption of ion 1 on right wall = -0.451731704 Relative adsorption of ion 2 on left wall = -0.462379176 Relative adsorption of ion 2 on right wall = 0.591200274 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 935------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00702044796 Right electrode charge = -0.00702044796 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00289 Bulk concentration of Na = 1.00280 ________________________________________________________________________ Average electrode charge 1 = 0.00785616256 Average electrode charge 2 = -0.00785616256 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395235 -0.559757 -0.565439 ________________________________________________________________________ Electrode charge exchange: 0.0638030299 Move Jump Cl: 0.93435 0.36866 Na: 0.93408 0.36908 ________________________________________________________________________ Create NaCl : 1028747. / 2804707. = 0.36679 Destroy NaCl : 1028746. / 2805753. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.05069256 Potential at right wall /kT = -1.04528174 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1612844 Potential at right wall /mV = -27.0214101 ________________________________________________________________________ Capacitance of left DL = 0.0465242971 Capacitance of right DL = 0.0467651267 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8171102 Capacitance of right DL [F/m2] = 37.0076912 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52919954 Adsorption of ion 1 on right wall = -5.09618959 Adsorption of ion 2 on left wall = -5.2007078 Adsorption of ion 2 on right wall = 6.66157919 ------------------------------------------------------------------------ net charge in left DL = -11.7299073 10.5324615 net charge in right DL = 11.7577688 -10.5324615 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.619912026 Relative adsorption of ion 1 on right wall = -0.483855516 Relative adsorption of ion 2 on left wall = -0.493778952 Relative adsorption of ion 2 on right wall = 0.632480755 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 940------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00446231485 Right electrode charge = -0.00446231485 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00277 Bulk concentration of Na = 1.00268 ________________________________________________________________________ Average electrode charge 1 = 0.00785315228 Average electrode charge 2 = -0.00785315228 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394995 -0.559757 -0.565200 ________________________________________________________________________ Electrode charge exchange: 0.0637951889 Move Jump Cl: 0.93437 0.36867 Na: 0.93407 0.36905 ________________________________________________________________________ Create NaCl : 1034316. / 2819664. = 0.36682 Destroy NaCl : 1034309. / 2820944. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.0456197 Potential at right wall /kT = -1.04061545 ------------------------------------------------------------------------ Potential at left wall /mV = 27.0301466 Potential at right wall /mV = -26.9007827 ________________________________________________________________________ Capacitance of left DL = 0.0297150939 Capacitance of right DL = 0.0298579916 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.9957298 Capacitance of right DL [F/m2] = 37.1736396 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53574058 Adsorption of ion 1 on right wall = -5.07894613 Adsorption of ion 2 on left wall = -5.1858911 Adsorption of ion 2 on right wall = 6.67148036 ------------------------------------------------------------------------ net charge in left DL = -11.7216317 6.69460973 net charge in right DL = 11.7504265 -6.69460973 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.976269094 Relative adsorption of ion 1 on right wall = -0.758662018 Relative adsorption of ion 2 on left wall = -0.774636806 Relative adsorption of ion 2 on right wall = 0.996545075 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 945------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00712245425 Right electrode charge = -0.00712245425 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00280 Bulk concentration of Na = 1.00269 ________________________________________________________________________ Average electrode charge 1 = 0.00785352809 Average electrode charge 2 = -0.00785352809 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395034 -0.559757 -0.565239 ________________________________________________________________________ Electrode charge exchange: 0.063803241 Move Jump Cl: 0.93436 0.36868 Na: 0.93404 0.36906 ________________________________________________________________________ Create NaCl : 1039863. / 2834717. = 0.36683 Destroy NaCl : 1039859. / 2836029. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.05202806 Potential at right wall /kT = -1.04735082 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1958083 Potential at right wall /mV = -27.0748978 ________________________________________________________________________ Capacitance of left DL = 0.0471403711 Capacitance of right DL = 0.0473508895 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7703725 Capacitance of right DL [F/m2] = 36.9345808 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53372123 Adsorption of ion 1 on right wall = -5.07509561 Adsorption of ion 2 on left wall = -5.19228232 Adsorption of ion 2 on right wall = 6.68152906 ------------------------------------------------------------------------ net charge in left DL = -11.7260036 10.6854969 net charge in right DL = 11.7566247 -10.6854969 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.611456939 Relative adsorption of ion 1 on right wall = -0.474951764 Relative adsorption of ion 2 on left wall = -0.485918657 Relative adsorption of ion 2 on right wall = 0.625289503 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 950------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0088579713 Right electrode charge = -0.0088579713 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 278 -1.00 3.0000 1.5000 Na ion: 278 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00285 Bulk concentration of Na = 1.00276 ________________________________________________________________________ Average electrode charge 1 = 0.00785059347 Average electrode charge 2 = -0.00785059347 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395152 -0.559757 -0.565357 ________________________________________________________________________ Electrode charge exchange: 0.0638137713 Move Jump Cl: 0.93436 0.36866 Na: 0.93405 0.36909 ________________________________________________________________________ Create NaCl : 1045363. / 2849785. = 0.36682 Destroy NaCl : 1045385. / 2851028. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.05443606 Potential at right wall /kT = -1.05099073 ------------------------------------------------------------------------ Potential at left wall /mV = 27.258057 Potential at right wall /mV = -27.1689924 ________________________________________________________________________ Capacitance of left DL = 0.0584931046 Capacitance of right DL = 0.058684855 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6864007 Capacitance of right DL [F/m2] = 36.806665 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.52922634 Adsorption of ion 1 on right wall = -5.07915331 Adsorption of ion 2 on left wall = -5.19729861 Adsorption of ion 2 on right wall = 6.6730549 ------------------------------------------------------------------------ net charge in left DL = -11.7265249 13.2892149 net charge in right DL = 11.7522082 -13.2892149 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.491317688 Relative adsorption of ion 1 on right wall = -0.382201158 Relative adsorption of ion 2 on left wall = -0.391091471 Relative adsorption of ion 2 on right wall = 0.502140642 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 955------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00929742422 Right electrode charge = -0.00929742422 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00281 Bulk concentration of Na = 1.00276 ________________________________________________________________________ Average electrode charge 1 = 0.00785196198 Average electrode charge 2 = -0.00785196198 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395113 -0.559757 -0.565318 ________________________________________________________________________ Electrode charge exchange: 0.0638230595 Move Jump Cl: 0.93437 0.36865 Na: 0.93407 0.36906 ________________________________________________________________________ Create NaCl : 1050874. / 2864962. = 0.36680 Destroy NaCl : 1050873. / 2865889. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.05426176 Potential at right wall /kT = -1.05090426 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2535513 Potential at right wall /mV = -27.1667571 ________________________________________________________________________ Capacitance of left DL = 0.0614051568 Capacitance of right DL = 0.0616013381 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6924659 Capacitance of right DL [F/m2] = 36.8096934 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54507624 Adsorption of ion 1 on right wall = -5.08183659 Adsorption of ion 2 on left wall = -5.18857848 Adsorption of ion 2 on right wall = 6.66714674 ------------------------------------------------------------------------ net charge in left DL = -11.7336547 13.9485063 net charge in right DL = 11.7489833 -13.9485063 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.469231336 Relative adsorption of ion 1 on right wall = -0.364328372 Relative adsorption of ion 2 on left wall = -0.37198094 Relative adsorption of ion 2 on right wall = 0.477982846 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 960------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0113276412 Right electrode charge = -0.0113276412 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00271 Bulk concentration of Na = 1.00265 ________________________________________________________________________ Average electrode charge 1 = 0.00785332385 Average electrode charge 2 = -0.00785332385 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394901 -0.559757 -0.565106 ________________________________________________________________________ Electrode charge exchange: 0.0638272588 Move Jump Cl: 0.93436 0.36867 Na: 0.93409 0.36905 ________________________________________________________________________ Create NaCl : 1056382. / 2879961. = 0.36680 Destroy NaCl : 1056394. / 2881014. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.05384687 Potential at right wall /kT = -1.05010822 ------------------------------------------------------------------------ Potential at left wall /mV = 27.242826 Potential at right wall /mV = -27.1461789 ________________________________________________________________________ Capacitance of left DL = 0.0748432484 Capacitance of right DL = 0.0751097089 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7069114 Capacitance of right DL [F/m2] = 36.8375971 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54683431 Adsorption of ion 1 on right wall = -5.07849295 Adsorption of ion 2 on left wall = -5.18733009 Adsorption of ion 2 on right wall = 6.67353501 ------------------------------------------------------------------------ net charge in left DL = -11.7341644 16.9943493 net charge in right DL = 11.752028 -16.9943493 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.38523595 Relative adsorption of ion 1 on right wall = -0.298834209 Relative adsorption of ion 2 on left wall = -0.305238523 Relative adsorption of ion 2 on right wall = 0.39269141 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 965------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102053334 Right electrode charge = -0.0102053334 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00273 Bulk concentration of Na = 1.00264 ________________________________________________________________________ Average electrode charge 1 = 0.00785595846 Average electrode charge 2 = -0.00785595846 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394916 -0.559757 -0.565121 ________________________________________________________________________ Electrode charge exchange: 0.0638328612 Move Jump Cl: 0.93436 0.36868 Na: 0.93410 0.36902 ________________________________________________________________________ Create NaCl : 1061925. / 2895053. = 0.36681 Destroy NaCl : 1061934. / 2896088. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.05235166 Potential at right wall /kT = -1.04890425 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2041736 Potential at right wall /mV = -27.1150551 ________________________________________________________________________ Capacitance of left DL = 0.0675238129 Capacitance of right DL = 0.067745742 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7590656 Capacitance of right DL [F/m2] = 36.8798808 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53882816 Adsorption of ion 1 on right wall = -5.06781778 Adsorption of ion 2 on left wall = -5.19351162 Adsorption of ion 2 on right wall = 6.69173139 ------------------------------------------------------------------------ net charge in left DL = -11.7323398 15.3106014 net charge in right DL = 11.7595492 -15.3106014 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.427078465 Relative adsorption of ion 1 on right wall = -0.331000569 Relative adsorption of ion 2 on left wall = -0.339210164 Relative adsorption of ion 2 on right wall = 0.437065221 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 970------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0108445004 Right electrode charge = -0.0108445004 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 304 -1.00 3.0000 1.5000 Na ion: 304 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00272 Bulk concentration of Na = 1.00264 ________________________________________________________________________ Average electrode charge 1 = 0.00785743556 Average electrode charge 2 = -0.00785743556 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394905 -0.559757 -0.565110 ________________________________________________________________________ Electrode charge exchange: 0.0638361381 Move Jump Cl: 0.93434 0.36871 Na: 0.93410 0.36903 ________________________________________________________________________ Create NaCl : 1067426. / 2910101. = 0.36680 Destroy NaCl : 1067422. / 2911311. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.05302827 Potential at right wall /kT = -1.04919219 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2216645 Potential at right wall /mV = -27.1224985 ________________________________________________________________________ Capacitance of left DL = 0.0717067718 Capacitance of right DL = 0.0719689482 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7354465 Capacitance of right DL [F/m2] = 36.8697597 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54103819 Adsorption of ion 1 on right wall = -5.07588587 Adsorption of ion 2 on left wall = -5.19546281 Adsorption of ion 2 on right wall = 6.68434956 ------------------------------------------------------------------------ net charge in left DL = -11.736501 16.2695149 net charge in right DL = 11.7602354 -16.2695149 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.402042606 Relative adsorption of ion 1 on right wall = -0.311987535 Relative adsorption of ion 2 on left wall = -0.31933729 Relative adsorption of ion 2 on right wall = 0.410851189 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 975------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00570771723 Right electrode charge = -0.00570771723 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 267 -1.00 3.0000 1.5000 Na ion: 267 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00261 Bulk concentration of Na = 1.00251 ________________________________________________________________________ Average electrode charge 1 = 0.00785563981 Average electrode charge 2 = -0.00785563981 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394659 -0.559757 -0.564864 ________________________________________________________________________ Electrode charge exchange: 0.0638441706 Move Jump Cl: 0.93436 0.36876 Na: 0.93412 0.36904 ________________________________________________________________________ Create NaCl : 1072952. / 2925123. = 0.36681 Destroy NaCl : 1072985. / 2926408. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.05747887 Potential at right wall /kT = -1.0537553 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3367161 Potential at right wall /mV = -27.2404587 ________________________________________________________________________ Capacitance of left DL = 0.0375821313 Capacitance of right DL = 0.0377149322 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5808386 Capacitance of right DL [F/m2] = 36.7101013 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.54643779 Adsorption of ion 1 on right wall = -5.08358529 Adsorption of ion 2 on left wall = -5.18827584 Adsorption of ion 2 on right wall = 6.67964655 ------------------------------------------------------------------------ net charge in left DL = -11.7347136 8.56303077 net charge in right DL = 11.7632318 -8.56303077 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.764500089 Relative adsorption of ion 1 on right wall = -0.593666592 Relative adsorption of ion 2 on left wall = -0.605892467 Relative adsorption of ion 2 on right wall = 0.780056353 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 980------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00849888061 Right electrode charge = -0.00849888061 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00258 Bulk concentration of Na = 1.00248 ________________________________________________________________________ Average electrode charge 1 = 0.00785671718 Average electrode charge 2 = -0.00785671718 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394614 -0.559757 -0.564819 ________________________________________________________________________ Electrode charge exchange: 0.0638473864 Move Jump Cl: 0.93433 0.36879 Na: 0.93411 0.36904 ________________________________________________________________________ Create NaCl : 1078513. / 2940185. = 0.36682 Destroy NaCl : 1078517. / 2941294. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.06064593 Potential at right wall /kT = -1.05624354 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4185874 Potential at right wall /mV = -27.3047818 ________________________________________________________________________ Capacitance of left DL = 0.0557932874 Capacitance of right DL = 0.0560258323 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4716091 Capacitance of right DL [F/m2] = 36.6236217 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53782015 Adsorption of ion 1 on right wall = -5.07301769 Adsorption of ion 2 on left wall = -5.20011602 Adsorption of ion 2 on right wall = 6.69414699 ------------------------------------------------------------------------ net charge in left DL = -11.7379362 12.7504873 net charge in right DL = 11.7671647 -12.7504873 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.51275061 Relative adsorption of ion 1 on right wall = -0.397868534 Relative adsorption of ion 2 on left wall = -0.407836649 Relative adsorption of ion 2 on right wall = 0.52501107 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 985------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00522480462 Right electrode charge = -0.00522480462 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00262 Bulk concentration of Na = 1.00255 ________________________________________________________________________ Average electrode charge 1 = 0.00785686195 Average electrode charge 2 = -0.00785686195 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394719 -0.559757 -0.564924 ________________________________________________________________________ Electrode charge exchange: 0.0638546967 Move Jump Cl: 0.93434 0.36883 Na: 0.93410 0.36904 ________________________________________________________________________ Create NaCl : 1084056. / 2955295. = 0.36682 Destroy NaCl : 1084067. / 2956291. = 0.36670 ________________________________________________________________________ Potential at left wall /kT = 1.06205079 Potential at right wall /kT = -1.05795591 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4549042 Potential at right wall /mV = -27.3490482 ________________________________________________________________________ Capacitance of left DL = 0.0342543256 Capacitance of right DL = 0.0343869088 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4233651 Capacitance of right DL [F/m2] = 36.5643438 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.53657806 Adsorption of ion 1 on right wall = -5.06036695 Adsorption of ion 2 on left wall = -5.20817833 Adsorption of ion 2 on right wall = 6.7030369 ------------------------------------------------------------------------ net charge in left DL = -11.7447564 7.83853876 net charge in right DL = 11.7634038 -7.83853876 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.833902626 Relative adsorption of ion 1 on right wall = -0.645575292 Relative adsorption of ion 2 on left wall = -0.664432299 Relative adsorption of ion 2 on right wall = 0.855138579 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 990------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00861402795 Right electrode charge = -0.00861402795 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 258 -1.00 3.0000 1.5000 Na ion: 258 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00248 Bulk concentration of Na = 1.00241 ________________________________________________________________________ Average electrode charge 1 = 0.00785817849 Average electrode charge 2 = -0.00785817849 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394437 -0.559757 -0.564642 ________________________________________________________________________ Electrode charge exchange: 0.0638595407 Move Jump Cl: 0.93435 0.36884 Na: 0.93410 0.36906 ________________________________________________________________________ Create NaCl : 1089489. / 2970295. = 0.36679 Destroy NaCl : 1089531. / 2971369. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.05735247 Potential at right wall /kT = -1.05361741 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3334486 Potential at right wall /mV = -27.2368942 ________________________________________________________________________ Capacitance of left DL = 0.056725345 Capacitance of right DL = 0.0569264356 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5852115 Capacitance of right DL [F/m2] = 36.7149056 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5545124 Adsorption of ion 1 on right wall = -5.0553477 Adsorption of ion 2 on left wall = -5.18749847 Adsorption of ion 2 on right wall = 6.70786769 ------------------------------------------------------------------------ net charge in left DL = -11.7420109 12.9232377 net charge in right DL = 11.7632154 -12.9232377 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.507188103 Relative adsorption of ion 1 on right wall = -0.391182753 Relative adsorption of ion 2 on left wall = -0.401408579 Relative adsorption of ion 2 on right wall = 0.519054734 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 995------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00764631975 Right electrode charge = -0.00764631975 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00236 Bulk concentration of Na = 1.00230 ________________________________________________________________________ Average electrode charge 1 = 0.00786007962 Average electrode charge 2 = -0.00786007962 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394206 -0.559757 -0.564411 ________________________________________________________________________ Electrode charge exchange: 0.0638577086 Move Jump Cl: 0.93435 0.36888 Na: 0.93410 0.36904 ________________________________________________________________________ Create NaCl : 1094930. / 2985175. = 0.36679 Destroy NaCl : 1094923. / 2986259. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.05282609 Potential at right wall /kT = -1.04968376 ------------------------------------------------------------------------ Potential at left wall /mV = 27.216438 Potential at right wall /mV = -27.1352062 ________________________________________________________________________ Capacitance of left DL = 0.0505692449 Capacitance of right DL = 0.0507206287 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.742501 Capacitance of right DL [F/m2] = 36.8524932 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57173146 Adsorption of ion 1 on right wall = -5.05504099 Adsorption of ion 2 on left wall = -5.17230162 Adsorption of ion 2 on right wall = 6.70561722 ------------------------------------------------------------------------ net charge in left DL = -11.7440331 11.4714287 net charge in right DL = 11.7606582 -11.4714287 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.572878203 Relative adsorption of ion 1 on right wall = -0.440663593 Relative adsorption of ion 2 on left wall = -0.450885566 Relative adsorption of ion 2 on right wall = 0.58454944 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1000------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102835968 Right electrode charge = -0.0102835968 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00238 Bulk concentration of Na = 1.00232 ________________________________________________________________________ Average electrode charge 1 = 0.00785562101 Average electrode charge 2 = -0.00785562101 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394250 -0.559757 -0.564455 ________________________________________________________________________ Electrode charge exchange: 0.0638764633 Move Jump Cl: 0.93437 0.36887 Na: 0.93411 0.36905 ________________________________________________________________________ Create NaCl : 1100475. / 3000043. = 0.36682 Destroy NaCl : 1100486. / 3001337. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.05549699 Potential at right wall /kT = -1.05187956 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2854829 Potential at right wall /mV = -27.1919693 ________________________________________________________________________ Capacitance of left DL = 0.0678388841 Capacitance of right DL = 0.0680721833 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6495254 Capacitance of right DL [F/m2] = 36.7755638 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57183232 Adsorption of ion 1 on right wall = -5.07316576 Adsorption of ion 2 on left wall = -5.16715993 Adsorption of ion 2 on right wall = 6.68338516 ------------------------------------------------------------------------ net charge in left DL = -11.7389922 15.4280166 net charge in right DL = 11.7565509 -15.4280166 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.425967414 Relative adsorption of ion 1 on right wall = -0.328828125 Relative adsorption of ion 2 on left wall = -0.334920558 Relative adsorption of ion 2 on right wall = 0.43319795 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1005------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00724027454 Right electrode charge = -0.00724027454 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00235 Bulk concentration of Na = 1.00224 ________________________________________________________________________ Average electrode charge 1 = 0.00785751487 Average electrode charge 2 = -0.00785751487 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394141 -0.559757 -0.564345 ________________________________________________________________________ Electrode charge exchange: 0.0638733261 Move Jump Cl: 0.93438 0.36884 Na: 0.93411 0.36904 ________________________________________________________________________ Create NaCl : 1106007. / 3014955. = 0.36684 Destroy NaCl : 1105995. / 3016491. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.05328553 Potential at right wall /kT = -1.05039685 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2283149 Potential at right wall /mV = -27.1536402 ________________________________________________________________________ Capacitance of left DL = 0.0478629617 Capacitance of right DL = 0.0479945888 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.726474 Capacitance of right DL [F/m2] = 36.8274749 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57278948 Adsorption of ion 1 on right wall = -5.07976608 Adsorption of ion 2 on left wall = -5.16115374 Adsorption of ion 2 on right wall = 6.68440231 ------------------------------------------------------------------------ net charge in left DL = -11.7339432 10.8622574 net charge in right DL = 11.7641684 -10.8622574 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.605103455 Relative adsorption of ion 1 on right wall = -0.467652892 Relative adsorption of ion 2 on left wall = -0.475145594 Relative adsorption of ion 2 on right wall = 0.615378744 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1010------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00715713254 Right electrode charge = -0.00715713254 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00233 Bulk concentration of Na = 1.00221 ________________________________________________________________________ Average electrode charge 1 = 0.0078545028 Average electrode charge 2 = -0.0078545028 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394089 -0.559757 -0.564294 ________________________________________________________________________ Electrode charge exchange: 0.0638757749 Move Jump Cl: 0.93438 0.36887 Na: 0.93413 0.36907 ________________________________________________________________________ Create NaCl : 1111439. / 3029819. = 0.36683 Destroy NaCl : 1111452. / 3031524. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.0523699 Potential at right wall /kT = -1.04962819 ------------------------------------------------------------------------ Potential at left wall /mV = 27.204645 Potential at right wall /mV = -27.1337696 ________________________________________________________________________ Capacitance of left DL = 0.0473545043 Capacitance of right DL = 0.0474781979 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7584285 Capacitance of right DL [F/m2] = 36.8544443 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.57564484 Adsorption of ion 1 on right wall = -5.07808535 Adsorption of ion 2 on left wall = -5.15174011 Adsorption of ion 2 on right wall = 6.68316831 ------------------------------------------------------------------------ net charge in left DL = -11.7273849 10.7375232 net charge in right DL = 11.7612537 -10.7375232 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.612398663 Relative adsorption of ion 1 on right wall = -0.47292893 Relative adsorption of ion 2 on left wall = -0.479788496 Relative adsorption of ion 2 on right wall = 0.622412468 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1015------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00791144054 Right electrode charge = -0.00791144054 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00232 Bulk concentration of Na = 1.00219 ________________________________________________________________________ Average electrode charge 1 = 0.0078535055 Average electrode charge 2 = -0.0078535055 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394054 -0.559757 -0.564259 ________________________________________________________________________ Electrode charge exchange: 0.0638834164 Move Jump Cl: 0.93438 0.36886 Na: 0.93412 0.36909 ________________________________________________________________________ Create NaCl : 1116853. / 3044821. = 0.36680 Destroy NaCl : 1116860. / 3046498. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.05467005 Potential at right wall /kT = -1.05261673 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2641059 Potential at right wall /mV = -27.2110259 ________________________________________________________________________ Capacitance of left DL = 0.0522311522 Capacitance of right DL = 0.0523330385 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6782612 Capacitance of right DL [F/m2] = 36.7498088 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58669093 Adsorption of ion 1 on right wall = -5.08880177 Adsorption of ion 2 on left wall = -5.13938512 Adsorption of ion 2 on right wall = 6.67465848 ------------------------------------------------------------------------ net charge in left DL = -11.726076 11.8691775 net charge in right DL = 11.7634602 -11.8691775 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.554940807 Relative adsorption of ion 1 on right wall = -0.428740894 Relative adsorption of ion 2 on left wall = -0.433002635 Relative adsorption of ion 2 on right wall = 0.562352235 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1020------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00915557649 Right electrode charge = -0.00915557649 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00240 Bulk concentration of Na = 1.00229 ________________________________________________________________________ Average electrode charge 1 = 0.00785376898 Average electrode charge 2 = -0.00785376898 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394237 -0.559757 -0.564442 ________________________________________________________________________ Electrode charge exchange: 0.0638837086 Move Jump Cl: 0.93437 0.36880 Na: 0.93410 0.36910 ________________________________________________________________________ Create NaCl : 1122353. / 3059973. = 0.36679 Destroy NaCl : 1122366. / 3061388. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.05970027 Potential at right wall /kT = -1.05850648 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3941413 Potential at right wall /mV = -27.3632808 ________________________________________________________________________ Capacitance of left DL = 0.0601579879 Capacitance of right DL = 0.0602258346 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5041557 Capacitance of right DL [F/m2] = 36.5453254 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59460453 Adsorption of ion 1 on right wall = -5.08726426 Adsorption of ion 2 on left wall = -5.13918717 Adsorption of ion 2 on right wall = 6.6771862 ------------------------------------------------------------------------ net charge in left DL = -11.7337917 13.7356985 net charge in right DL = 11.7644505 -13.7356985 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.480106965 Relative adsorption of ion 1 on right wall = -0.370368077 Relative adsorption of ion 2 on left wall = -0.374148221 Relative adsorption of ion 2 on right wall = 0.486119157 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1025------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00506371319 Right electrode charge = -0.00506371319 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00231 Bulk concentration of Na = 1.00223 ________________________________________________________________________ Average electrode charge 1 = 0.0078488403 Average electrode charge 2 = -0.0078488403 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394086 -0.559757 -0.564291 ________________________________________________________________________ Electrode charge exchange: 0.0638795486 Move Jump Cl: 0.93434 0.36882 Na: 0.93411 0.36912 ________________________________________________________________________ Create NaCl : 1127855. / 3074789. = 0.36681 Destroy NaCl : 1127864. / 3076332. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.05964025 Potential at right wall /kT = -1.05818892 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3925896 Potential at right wall /mV = -27.3550716 ________________________________________________________________________ Capacitance of left DL = 0.0332737161 Capacitance of right DL = 0.0333193516 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5062235 Capacitance of right DL [F/m2] = 36.5562925 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61225001 Adsorption of ion 1 on right wall = -5.08432576 Adsorption of ion 2 on left wall = -5.1189631 Adsorption of ion 2 on right wall = 6.668913 ------------------------------------------------------------------------ net charge in left DL = -11.7312131 7.59686056 net charge in right DL = 11.7532388 -7.59686056 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.870392442 Relative adsorption of ion 1 on right wall = -0.669266696 Relative adsorption of ion 2 on left wall = -0.673826123 Relative adsorption of ion 2 on right wall = 0.87785118 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1030------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0041915175 Right electrode charge = -0.0041915175 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 302 -1.00 3.0000 1.5000 Na ion: 302 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00244 Bulk concentration of Na = 1.00238 ________________________________________________________________________ Average electrode charge 1 = 0.00784715869 Average electrode charge 2 = -0.00784715869 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394375 -0.559757 -0.564580 ________________________________________________________________________ Electrode charge exchange: 0.0638829601 Move Jump Cl: 0.93435 0.36879 Na: 0.93411 0.36909 ________________________________________________________________________ Create NaCl : 1133356. / 3089870. = 0.36680 Destroy NaCl : 1133354. / 3091328. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.06289379 Potential at right wall /kT = -1.0615434 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4766965 Potential at right wall /mV = -27.4417878 ________________________________________________________________________ Capacitance of left DL = 0.0274582001 Capacitance of right DL = 0.0274931297 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.394477 Capacitance of right DL [F/m2] = 36.4407745 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59052354 Adsorption of ion 1 on right wall = -5.082964 Adsorption of ion 2 on left wall = -5.14279766 Adsorption of ion 2 on right wall = 6.66830638 ------------------------------------------------------------------------ net charge in left DL = -11.7333212 6.28834469 net charge in right DL = 11.7512704 -6.28834469 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.0480538 Relative adsorption of ion 1 on right wall = -0.808315105 Relative adsorption of ion 2 on left wall = -0.817830115 Relative adsorption of ion 2 on right wall = 1.06042317 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1035------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00692235391 Right electrode charge = -0.00692235391 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00247 Bulk concentration of Na = 1.00242 ________________________________________________________________________ Average electrode charge 1 = 0.00784621324 Average electrode charge 2 = -0.00784621324 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394436 -0.559757 -0.564641 ________________________________________________________________________ Electrode charge exchange: 0.063890052 Move Jump Cl: 0.93433 0.36877 Na: 0.93407 0.36910 ________________________________________________________________________ Create NaCl : 1138907. / 3105009. = 0.36680 Destroy NaCl : 1138904. / 3106391. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.06194751 Potential at right wall /kT = -1.06029445 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4522342 Potential at right wall /mV = -27.4095014 ________________________________________________________________________ Capacitance of left DL = 0.0453880372 Capacitance of right DL = 0.0454587996 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4269076 Capacitance of right DL [F/m2] = 36.4836991 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59245667 Adsorption of ion 1 on right wall = -5.08358383 Adsorption of ion 2 on left wall = -5.14140201 Adsorption of ion 2 on right wall = 6.66262995 ------------------------------------------------------------------------ net charge in left DL = -11.7338587 10.3852954 net charge in right DL = 11.7462138 -10.3852954 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.634787592 Relative adsorption of ion 1 on right wall = -0.489498241 Relative adsorption of ion 2 on left wall = -0.495065553 Relative adsorption of ion 2 on right wall = 0.641544577 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1040------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00888241082 Right electrode charge = -0.00888241082 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00253 Bulk concentration of Na = 1.00249 ________________________________________________________________________ Average electrode charge 1 = 0.00784847036 Average electrode charge 2 = -0.00784847036 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394566 -0.559757 -0.564771 ________________________________________________________________________ Electrode charge exchange: 0.0638869225 Move Jump Cl: 0.93434 0.36875 Na: 0.93409 0.36913 ________________________________________________________________________ Create NaCl : 1144325. / 3120093. = 0.36676 Destroy NaCl : 1144353. / 3121418. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.06973852 Potential at right wall /kT = -1.06809543 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6536384 Potential at right wall /mV = -27.6111632 ________________________________________________________________________ Capacitance of left DL = 0.0578154453 Capacitance of right DL = 0.0579043848 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1616068 Capacitance of right DL [F/m2] = 36.2172355 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60511461 Adsorption of ion 1 on right wall = -5.10716889 Adsorption of ion 2 on left wall = -5.13738198 Adsorption of ion 2 on right wall = 6.64830328 ------------------------------------------------------------------------ net charge in left DL = -11.7424966 13.3258804 net charge in right DL = 11.7554722 -13.3258804 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495660655 Relative adsorption of ion 1 on right wall = -0.383251893 Relative adsorption of ion 2 on left wall = -0.385519142 Relative adsorption of ion 2 on right wall = 0.498901617 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1045------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0105201316 Right electrode charge = -0.0105201316 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00257 Bulk concentration of Na = 1.00254 ________________________________________________________________________ Average electrode charge 1 = 0.00784886142 Average electrode charge 2 = -0.00784886142 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394665 -0.559757 -0.564869 ________________________________________________________________________ Electrode charge exchange: 0.0638882176 Move Jump Cl: 0.93434 0.36874 Na: 0.93409 0.36910 ________________________________________________________________________ Create NaCl : 1149775. / 3135271. = 0.36672 Destroy NaCl : 1149785. / 3136214. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.07126979 Potential at right wall /kT = -1.06999132 ------------------------------------------------------------------------ Potential at left wall /mV = 27.693223 Potential at right wall /mV = -27.6601735 ________________________________________________________________________ Capacitance of left DL = 0.0683774608 Capacitance of right DL = 0.0684591609 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1099176 Capacitance of right DL [F/m2] = 36.1530632 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62572157 Adsorption of ion 1 on right wall = -5.11400251 Adsorption of ion 2 on left wall = -5.12068493 Adsorption of ion 2 on right wall = 6.64113214 ------------------------------------------------------------------------ net charge in left DL = -11.7464065 15.782879 net charge in right DL = 11.7551346 -15.782879 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.419804369 Relative adsorption of ion 1 on right wall = -0.324022157 Relative adsorption of ion 2 on left wall = -0.324445554 Relative adsorption of ion 2 on right wall = 0.420780779 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1050------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00832759526 Right electrode charge = -0.00832759526 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 306 -1.00 3.0000 1.5000 Na ion: 306 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00252 Bulk concentration of Na = 1.00253 ________________________________________________________________________ Average electrode charge 1 = 0.00784924926 Average electrode charge 2 = -0.00784924926 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394602 -0.559757 -0.564807 ________________________________________________________________________ Electrode charge exchange: 0.0638862686 Move Jump Cl: 0.93435 0.36874 Na: 0.93408 0.36909 ________________________________________________________________________ Create NaCl : 1155194. / 3150139. = 0.36671 Destroy NaCl : 1155188. / 3151185. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.07108749 Potential at right wall /kT = -1.07001092 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6885105 Potential at right wall /mV = -27.6606803 ________________________________________________________________________ Capacitance of left DL = 0.0541358942 Capacitance of right DL = 0.0541903618 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1160634 Capacitance of right DL [F/m2] = 36.1524008 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64292151 Adsorption of ion 1 on right wall = -5.1077842 Adsorption of ion 2 on left wall = -5.11021063 Adsorption of ion 2 on right wall = 6.64192302 ------------------------------------------------------------------------ net charge in left DL = -11.7531321 12.4935156 net charge in right DL = 11.7497072 -12.4935156 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.531709545 Relative adsorption of ion 1 on right wall = -0.408834819 Relative adsorption of ion 2 on left wall = -0.409029035 Relative adsorption of ion 2 on right wall = 0.531629624 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1055------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00674526408 Right electrode charge = -0.00674526408 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00247 Bulk concentration of Na = 1.00247 ________________________________________________________________________ Average electrode charge 1 = 0.00784914687 Average electrode charge 2 = -0.00784914687 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394481 -0.559757 -0.564686 ________________________________________________________________________ Electrode charge exchange: 0.063883075 Move Jump Cl: 0.93435 0.36873 Na: 0.93406 0.36909 ________________________________________________________________________ Create NaCl : 1160672. / 3165040. = 0.36672 Destroy NaCl : 1160675. / 3166221. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.06734975 Potential at right wall /kT = -1.06607319 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5918868 Potential at right wall /mV = -27.5588866 ________________________________________________________________________ Capacitance of left DL = 0.0440030577 Capacitance of right DL = 0.0440557489 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2425378 Capacitance of right DL [F/m2] = 36.2859362 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64942257 Adsorption of ion 1 on right wall = -5.0879501 Adsorption of ion 2 on left wall = -5.09873553 Adsorption of ion 2 on right wall = 6.66083256 ------------------------------------------------------------------------ net charge in left DL = -11.7481581 10.1196155 net charge in right DL = 11.7487827 -10.1196155 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.65708253 Relative adsorption of ion 1 on right wall = -0.50278097 Relative adsorption of ion 2 on left wall = -0.503846764 Relative adsorption of ion 2 on right wall = 0.658210042 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1060------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0102915207 Right electrode charge = -0.0102915207 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00247 Bulk concentration of Na = 1.00245 ________________________________________________________________________ Average electrode charge 1 = 0.00784723624 Average electrode charge 2 = -0.00784723624 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394471 -0.559757 -0.564676 ________________________________________________________________________ Electrode charge exchange: 0.0638778125 Move Jump Cl: 0.93436 0.36876 Na: 0.93406 0.36910 ________________________________________________________________________ Create NaCl : 1166171. / 3179853. = 0.36674 Destroy NaCl : 1166174. / 3181185. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.06973953 Potential at right wall /kT = -1.06892697 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6536645 Potential at right wall /mV = -27.6326592 ________________________________________________________________________ Capacitance of left DL = 0.0669872518 Capacitance of right DL = 0.0670381728 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1615728 Capacitance of right DL [F/m2] = 36.1890614 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64440275 Adsorption of ion 1 on right wall = -5.09555637 Adsorption of ion 2 on left wall = -5.1008784 Adsorption of ion 2 on right wall = 6.65454126 ------------------------------------------------------------------------ net charge in left DL = -11.7452811 15.4399044 net charge in right DL = 11.7500976 -15.4399044 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.430339631 Relative adsorption of ion 1 on right wall = -0.330025125 Relative adsorption of ion 2 on left wall = -0.330369818 Relative adsorption of ion 2 on right wall = 0.430996274 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1065------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00784645365 Right electrode charge = -0.00784645365 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00247 Bulk concentration of Na = 1.00248 ________________________________________________________________________ Average electrode charge 1 = 0.0078512512 Average electrode charge 2 = -0.0078512512 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394491 -0.559757 -0.564696 ________________________________________________________________________ Electrode charge exchange: 0.0638675776 Move Jump Cl: 0.93436 0.36876 Na: 0.93406 0.36909 ________________________________________________________________________ Create NaCl : 1171688. / 3194822. = 0.36675 Destroy NaCl : 1171678. / 3196331. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.07125007 Potential at right wall /kT = -1.07019582 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6927132 Potential at right wall /mV = -27.66546 ________________________________________________________________________ Capacitance of left DL = 0.0510003557 Capacitance of right DL = 0.0510505961 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1105824 Capacitance of right DL [F/m2] = 36.1461549 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.65026355 Adsorption of ion 1 on right wall = -5.10868817 Adsorption of ion 2 on left wall = -5.10618239 Adsorption of ion 2 on right wall = 6.64352927 ------------------------------------------------------------------------ net charge in left DL = -11.7564459 11.7716806 net charge in right DL = 11.7522174 -11.7716806 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.564937479 Relative adsorption of ion 1 on right wall = -0.433981209 Relative adsorption of ion 2 on left wall = -0.433768344 Relative adsorption of ion 2 on right wall = 0.564365405 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1070------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00628660315 Right electrode charge = -0.00628660315 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00238 Bulk concentration of Na = 1.00241 ________________________________________________________________________ Average electrode charge 1 = 0.00785033559 Average electrode charge 2 = -0.00785033559 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394336 -0.559757 -0.564541 ________________________________________________________________________ Electrode charge exchange: 0.0638793758 Move Jump Cl: 0.93435 0.36878 Na: 0.93407 0.36908 ________________________________________________________________________ Create NaCl : 1177249. / 3209678. = 0.36678 Destroy NaCl : 1177265. / 3211463. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.06739301 Potential at right wall /kT = -1.06595623 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5930051 Potential at right wall /mV = -27.5558631 ________________________________________________________________________ Capacitance of left DL = 0.0410092989 Capacitance of right DL = 0.0410645745 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.241069 Capacitance of right DL [F/m2] = 36.2899176 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64049539 Adsorption of ion 1 on right wall = -5.10412377 Adsorption of ion 2 on left wall = -5.11329788 Adsorption of ion 2 on right wall = 6.64262518 ------------------------------------------------------------------------ net charge in left DL = -11.7537933 9.43150721 net charge in right DL = 11.7467489 -9.43150721 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.704075736 Relative adsorption of ion 1 on right wall = -0.541177953 Relative adsorption of ion 2 on left wall = -0.542150662 Relative adsorption of ion 2 on right wall = 0.704301553 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1075------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00578073581 Right electrode charge = -0.00578073581 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 288 -1.00 3.0000 1.5000 Na ion: 288 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00236 Bulk concentration of Na = 1.00240 ________________________________________________________________________ Average electrode charge 1 = 0.00784736379 Average electrode charge 2 = -0.00784736379 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394309 -0.559757 -0.564513 ________________________________________________________________________ Electrode charge exchange: 0.063864531 Move Jump Cl: 0.93436 0.36877 Na: 0.93407 0.36908 ________________________________________________________________________ Create NaCl : 1182783. / 3224773. = 0.36678 Destroy NaCl : 1182795. / 3226394. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.06427047 Potential at right wall /kT = -1.06227105 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5122847 Potential at right wall /mV = -27.4605982 ________________________________________________________________________ Capacitance of left DL = 0.0378200208 Capacitance of right DL = 0.0378912059 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3473994 Capacitance of right DL [F/m2] = 36.4158127 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63396562 Adsorption of ion 1 on right wall = -5.10275104 Adsorption of ion 2 on left wall = -5.11513478 Adsorption of ion 2 on right wall = 6.63521599 ------------------------------------------------------------------------ net charge in left DL = -11.7491004 8.67257724 net charge in right DL = 11.737967 -8.67257724 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.764935894 Relative adsorption of ion 1 on right wall = -0.588377699 Relative adsorption of ion 2 on left wall = -0.589805618 Relative adsorption of ion 2 on right wall = 0.765080069 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1080------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00622452004 Right electrode charge = -0.00622452004 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 285 -1.00 3.0000 1.5000 Na ion: 285 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00234 Bulk concentration of Na = 1.00234 ________________________________________________________________________ Average electrode charge 1 = 0.00784922103 Average electrode charge 2 = -0.00784922103 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394229 -0.559757 -0.564433 ________________________________________________________________________ Electrode charge exchange: 0.0638570068 Move Jump Cl: 0.93437 0.36876 Na: 0.93406 0.36907 ________________________________________________________________________ Create NaCl : 1188281. / 3239614. = 0.36680 Destroy NaCl : 1188296. / 3241347. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.06703488 Potential at right wall /kT = -1.06488692 ------------------------------------------------------------------------ Potential at left wall /mV = 27.583747 Potential at right wall /mV = -27.5282204 ________________________________________________________________________ Capacitance of left DL = 0.0406179412 Capacitance of right DL = 0.0406998709 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2532327 Capacitance of right DL [F/m2] = 36.3263583 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64016205 Adsorption of ion 1 on right wall = -5.1016327 Adsorption of ion 2 on left wall = -5.10792695 Adsorption of ion 2 on right wall = 6.6464087 ------------------------------------------------------------------------ net charge in left DL = -11.748089 9.33836672 net charge in right DL = 11.7480414 -9.33836672 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.711062465 Relative adsorption of ion 1 on right wall = -0.546308884 Relative adsorption of ion 2 on left wall = -0.546982904 Relative adsorption of ion 2 on right wall = 0.711731387 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1085------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00813610521 Right electrode charge = -0.00813610521 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00223 Bulk concentration of Na = 1.00218 ________________________________________________________________________ Average electrode charge 1 = 0.00785158433 Average electrode charge 2 = -0.00785158433 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393963 -0.559757 -0.564168 ________________________________________________________________________ Electrode charge exchange: 0.0638617886 Move Jump Cl: 0.93436 0.36876 Na: 0.93407 0.36908 ________________________________________________________________________ Create NaCl : 1193833. / 3254601. = 0.36681 Destroy NaCl : 1193849. / 3256284. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.05959917 Potential at right wall /kT = -1.05733554 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3915279 Potential at right wall /mV = -27.3330111 ________________________________________________________________________ Capacitance of left DL = 0.0534645108 Capacitance of right DL = 0.0535789721 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5076386 Capacitance of right DL [F/m2] = 36.5857972 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64995787 Adsorption of ion 1 on right wall = -5.10272048 Adsorption of ion 2 on left wall = -5.08868343 Adsorption of ion 2 on right wall = 6.65093838 ------------------------------------------------------------------------ net charge in left DL = -11.7386413 12.2062317 net charge in right DL = 11.7536589 -12.2062317 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.54480023 Relative adsorption of ion 1 on right wall = -0.418042241 Relative adsorption of ion 2 on left wall = -0.416892251 Relative adsorption of ion 2 on right wall = 0.54488056 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1090------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00884898818 Right electrode charge = -0.00884898818 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00226 Bulk concentration of Na = 1.00217 ________________________________________________________________________ Average electrode charge 1 = 0.00785505696 Average electrode charge 2 = -0.00785505696 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393980 -0.559757 -0.564185 ________________________________________________________________________ Electrode charge exchange: 0.06384599 Move Jump Cl: 0.93436 0.36876 Na: 0.93408 0.36911 ________________________________________________________________________ Create NaCl : 1199301. / 3269724. = 0.36679 Destroy NaCl : 1199320. / 3271378. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.06349743 Potential at right wall /kT = -1.06145592 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4923011 Potential at right wall /mV = -27.4395262 ________________________________________________________________________ Capacitance of left DL = 0.0579359086 Capacitance of right DL = 0.0580473376 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3738196 Capacitance of right DL [F/m2] = 36.4437779 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64308764 Adsorption of ion 1 on right wall = -5.1022262 Adsorption of ion 2 on left wall = -5.09884832 Adsorption of ion 2 on right wall = 6.66387194 ------------------------------------------------------------------------ net charge in left DL = -11.741936 13.2757379 net charge in right DL = 11.7660981 -13.2757379 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.500393099 Relative adsorption of ion 1 on right wall = -0.384327126 Relative adsorption of ion 2 on left wall = -0.384072686 Relative adsorption of ion 2 on right wall = 0.501958685 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1095------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00880705004 Right electrode charge = -0.00880705004 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 286 -1.00 3.0000 1.5000 Na ion: 286 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00237 Bulk concentration of Na = 1.00227 ________________________________________________________________________ Average electrode charge 1 = 0.00785404422 Average electrode charge 2 = -0.00785404422 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394185 -0.559757 -0.564390 ________________________________________________________________________ Electrode charge exchange: 0.0638386203 Move Jump Cl: 0.93433 0.36879 Na: 0.93408 0.36910 ________________________________________________________________________ Create NaCl : 1204745. / 3284839. = 0.36676 Destroy NaCl : 1204759. / 3286338. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.06286148 Potential at right wall /kT = -1.06109228 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4758613 Potential at right wall /mV = -27.4301258 ________________________________________________________________________ Capacitance of left DL = 0.057695833 Capacitance of right DL = 0.0577920319 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3955833 Capacitance of right DL [F/m2] = 36.4562674 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62889657 Adsorption of ion 1 on right wall = -5.11956462 Adsorption of ion 2 on left wall = -5.10794542 Adsorption of ion 2 on right wall = 6.64788198 ------------------------------------------------------------------------ net charge in left DL = -11.736842 13.21282 net charge in right DL = 11.7674466 -13.21282 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.501701874 Relative adsorption of ion 1 on right wall = -0.387469489 Relative adsorption of ion 2 on left wall = -0.3865901 Relative adsorption of ion 2 on right wall = 0.503138767 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1100------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00744755261 Right electrode charge = -0.00744755261 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00235 Bulk concentration of Na = 1.00227 ________________________________________________________________________ Average electrode charge 1 = 0.00785706881 Average electrode charge 2 = -0.00785706881 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394167 -0.559757 -0.564372 ________________________________________________________________________ Electrode charge exchange: 0.0638478452 Move Jump Cl: 0.93433 0.36879 Na: 0.93408 0.36908 ________________________________________________________________________ Create NaCl : 1210253. / 3299905. = 0.36675 Destroy NaCl : 1210241. / 3301292. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.06191208 Potential at right wall /kT = -1.0595192 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4513185 Potential at right wall /mV = -27.3894605 ________________________________________________________________________ Capacitance of left DL = 0.0488332546 Capacitance of right DL = 0.0489435425 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4281227 Capacitance of right DL [F/m2] = 36.5103942 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63441613 Adsorption of ion 1 on right wall = -5.12395001 Adsorption of ion 2 on left wall = -5.10892308 Adsorption of ion 2 on right wall = 6.64390397 ------------------------------------------------------------------------ net charge in left DL = -11.7433392 11.1732273 net charge in right DL = 11.767854 -11.1732273 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.59377796 Relative adsorption of ion 1 on right wall = -0.458591762 Relative adsorption of ion 2 on left wall = -0.457246857 Relative adsorption of ion 2 on right wall = 0.594627118 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1105------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00605022008 Right electrode charge = -0.00605022008 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 316 -1.00 3.0000 1.5000 Na ion: 316 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00243 Bulk concentration of Na = 1.00233 ________________________________________________________________________ Average electrode charge 1 = 0.00785677602 Average electrode charge 2 = -0.00785677602 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394309 -0.559757 -0.564513 ________________________________________________________________________ Electrode charge exchange: 0.0638462905 Move Jump Cl: 0.93433 0.36877 Na: 0.93407 0.36905 ________________________________________________________________________ Create NaCl : 1215774. / 3314970. = 0.36675 Destroy NaCl : 1215758. / 3316262. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.06225076 Potential at right wall /kT = -1.05950745 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4600737 Potential at right wall /mV = -27.3891568 ________________________________________________________________________ Capacitance of left DL = 0.0396583621 Capacitance of right DL = 0.0397610467 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4165082 Capacitance of right DL [F/m2] = 36.510799 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63643327 Adsorption of ion 1 on right wall = -5.13134607 Adsorption of ion 2 on left wall = -5.10382528 Adsorption of ion 2 on right wall = 6.63939855 ------------------------------------------------------------------------ net charge in left DL = -11.7402585 9.07687235 net charge in right DL = 11.7707446 -9.07687235 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.731136564 Relative adsorption of ion 1 on right wall = -0.565320946 Relative adsorption of ion 2 on left wall = -0.562288978 Relative adsorption of ion 2 on right wall = 0.73146325 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1110------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00634274805 Right electrode charge = -0.00634274805 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00248 Bulk concentration of Na = 1.00239 ________________________________________________________________________ Average electrode charge 1 = 0.00786282235 Average electrode charge 2 = -0.00786282235 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394411 -0.559757 -0.564616 ________________________________________________________________________ Electrode charge exchange: 0.0638563764 Move Jump Cl: 0.93434 0.36879 Na: 0.93407 0.36903 ________________________________________________________________________ Create NaCl : 1221313. / 3330048. = 0.36676 Destroy NaCl : 1221319. / 3331290. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.06461609 Potential at right wall /kT = -1.06146648 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5212194 Potential at right wall /mV = -27.4397993 ________________________________________________________________________ Capacitance of left DL = 0.041483471 Capacitance of right DL = 0.0416065618 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3355993 Capacitance of right DL [F/m2] = 36.4434152 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62704587 Adsorption of ion 1 on right wall = -5.12551614 Adsorption of ion 2 on left wall = -5.12553564 Adsorption of ion 2 on right wall = 6.65327877 ------------------------------------------------------------------------ net charge in left DL = -11.7525815 9.51573887 net charge in right DL = 11.7787949 -9.51573887 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.696429984 Relative adsorption of ion 1 on right wall = -0.538635645 Relative adsorption of ion 2 on left wall = -0.538637694 Relative adsorption of ion 2 on right wall = 0.699186775 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1115------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00902943319 Right electrode charge = -0.00902943319 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00235 Bulk concentration of Na = 1.00229 ________________________________________________________________________ Average electrode charge 1 = 0.00786234457 Average electrode charge 2 = -0.00786234457 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394190 -0.559757 -0.564394 ________________________________________________________________________ Electrode charge exchange: 0.063855891 Move Jump Cl: 0.93435 0.36881 Na: 0.93409 0.36903 ________________________________________________________________________ Create NaCl : 1226901. / 3345074. = 0.36678 Destroy NaCl : 1226905. / 3346521. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.05870918 Potential at right wall /kT = -1.05557291 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3685208 Potential at right wall /mV = -27.2874456 ________________________________________________________________________ Capacitance of left DL = 0.0593846856 Capacitance of right DL = 0.0595611267 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5383283 Capacitance of right DL [F/m2] = 36.6468894 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63781257 Adsorption of ion 1 on right wall = -5.11006501 Adsorption of ion 2 on left wall = -5.11295792 Adsorption of ion 2 on right wall = 6.66029171 ------------------------------------------------------------------------ net charge in left DL = -11.7507705 13.5464514 net charge in right DL = 11.7703567 -13.5464514 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490003792 Relative adsorption of ion 1 on right wall = -0.377225359 Relative adsorption of ion 2 on left wall = -0.377438914 Relative adsorption of ion 2 on right wall = 0.491663204 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1120------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0080763796 Right electrode charge = -0.0080763796 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 268 -1.00 3.0000 1.5000 Na ion: 268 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00236 Bulk concentration of Na = 1.00230 ________________________________________________________________________ Average electrode charge 1 = 0.00786313148 Average electrode charge 2 = -0.00786313148 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394211 -0.559757 -0.564416 ________________________________________________________________________ Electrode charge exchange: 0.0638724678 Move Jump Cl: 0.93438 0.36882 Na: 0.93410 0.36903 ________________________________________________________________________ Create NaCl : 1232321. / 3359917. = 0.36677 Destroy NaCl : 1232353. / 3361618. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.06101879 Potential at right wall /kT = -1.05754289 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4282261 Potential at right wall /mV = -27.3383712 ________________________________________________________________________ Capacitance of left DL = 0.053001029 Capacitance of right DL = 0.053175231 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4587924 Capacitance of right DL [F/m2] = 36.5786239 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62748738 Adsorption of ion 1 on right wall = -5.11216367 Adsorption of ion 2 on left wall = -5.12761881 Adsorption of ion 2 on right wall = 6.65904146 ------------------------------------------------------------------------ net charge in left DL = -11.7551062 12.1166281 net charge in right DL = 11.7712051 -12.1166281 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.546974564 Relative adsorption of ion 1 on right wall = -0.421913062 Relative adsorption of ion 2 on left wall = -0.423188594 Relative adsorption of ion 2 on right wall = 0.549578761 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1125------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00900756278 Right electrode charge = -0.00900756278 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00235 Bulk concentration of Na = 1.00231 ________________________________________________________________________ Average electrode charge 1 = 0.0078645568 Average electrode charge 2 = -0.0078645568 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394206 -0.559757 -0.564411 ________________________________________________________________________ Electrode charge exchange: 0.0638815522 Move Jump Cl: 0.93436 0.36881 Na: 0.93409 0.36901 ________________________________________________________________________ Create NaCl : 1237855. / 3375054. = 0.36677 Destroy NaCl : 1237860. / 3376521. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.06134428 Potential at right wall /kT = -1.05817458 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4366404 Potential at right wall /mV = -27.3547009 ________________________________________________________________________ Capacitance of left DL = 0.0590937657 Capacitance of right DL = 0.0592707777 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4476112 Capacitance of right DL [F/m2] = 36.5567879 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62626431 Adsorption of ion 1 on right wall = -5.1069528 Adsorption of ion 2 on left wall = -5.13314805 Adsorption of ion 2 on right wall = 6.66461572 ------------------------------------------------------------------------ net charge in left DL = -11.7594124 13.5136402 net charge in right DL = 11.7715685 -13.5136402 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.490338961 Relative adsorption of ion 1 on right wall = -0.377910963 Relative adsorption of ion 2 on left wall = -0.379849394 Relative adsorption of ion 2 on right wall = 0.493176939 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1130------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00791773038 Right electrode charge = -0.00791773038 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00234 Bulk concentration of Na = 1.00229 ________________________________________________________________________ Average electrode charge 1 = 0.0078648818 Average electrode charge 2 = -0.0078648818 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394173 -0.559757 -0.564378 ________________________________________________________________________ Electrode charge exchange: 0.0638696574 Move Jump Cl: 0.93436 0.36884 Na: 0.93409 0.36901 ________________________________________________________________________ Create NaCl : 1243347. / 3390002. = 0.36677 Destroy NaCl : 1243354. / 3391600. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.06083431 Potential at right wall /kT = -1.05812915 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4234571 Potential at right wall /mV = -27.3535266 ________________________________________________________________________ Capacitance of left DL = 0.0519689336 Capacitance of right DL = 0.0521017946 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4651326 Capacitance of right DL [F/m2] = 36.5583574 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.6291995 Adsorption of ion 1 on right wall = -5.10457668 Adsorption of ion 2 on left wall = -5.12933768 Adsorption of ion 2 on right wall = 6.66815944 ------------------------------------------------------------------------ net charge in left DL = -11.7585372 11.8786138 net charge in right DL = 11.7727361 -11.8786138 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.558078542 Relative adsorption of ion 1 on right wall = -0.429728313 Relative adsorption of ion 2 on left wall = -0.431812815 Relative adsorption of ion 2 on right wall = 0.561358382 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1135------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00647443687 Right electrode charge = -0.00647443687 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00229 Bulk concentration of Na = 1.00226 ________________________________________________________________________ Average electrode charge 1 = 0.00786557854 Average electrode charge 2 = -0.00786557854 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394096 -0.559757 -0.564301 ________________________________________________________________________ Electrode charge exchange: 0.0638808277 Move Jump Cl: 0.93437 0.36886 Na: 0.93409 0.36900 ________________________________________________________________________ Create NaCl : 1248892. / 3405027. = 0.36678 Destroy NaCl : 1248900. / 3406719. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.05972527 Potential at right wall /kT = -1.05652918 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3947876 Potential at right wall /mV = -27.3121659 ________________________________________________________________________ Capacitance of left DL = 0.0425401838 Capacitance of right DL = 0.0426688715 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5032945 Capacitance of right DL [F/m2] = 36.6137201 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62828778 Adsorption of ion 1 on right wall = -5.0976239 Adsorption of ion 2 on left wall = -5.13198709 Adsorption of ion 2 on right wall = 6.67317099 ------------------------------------------------------------------------ net charge in left DL = -11.7602749 9.71330567 net charge in right DL = 11.7707949 -9.71330567 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.682392587 Relative adsorption of ion 1 on right wall = -0.524808348 Relative adsorption of ion 2 on left wall = -0.528346092 Relative adsorption of ion 2 on right wall = 0.687013383 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1140------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0109378452 Right electrode charge = -0.0109378452 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 292 -1.00 3.0000 1.5000 Na ion: 292 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00237 Bulk concentration of Na = 1.00231 ________________________________________________________________________ Average electrode charge 1 = 0.00786672703 Average electrode charge 2 = -0.00786672703 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394227 -0.559757 -0.564432 ________________________________________________________________________ Electrode charge exchange: 0.063880359 Move Jump Cl: 0.93438 0.36886 Na: 0.93410 0.36900 ________________________________________________________________________ Create NaCl : 1254430. / 3419921. = 0.36680 Destroy NaCl : 1254438. / 3421629. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.06082605 Potential at right wall /kT = -1.05758429 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4232437 Potential at right wall /mV = -27.3394414 ________________________________________________________________________ Capacitance of left DL = 0.0717923628 Capacitance of right DL = 0.0720124245 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4654164 Capacitance of right DL [F/m2] = 36.5771921 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.6056742 Adsorption of ion 1 on right wall = -5.09256563 Adsorption of ion 2 on left wall = -5.15464121 Adsorption of ion 2 on right wall = 6.68327172 ------------------------------------------------------------------------ net charge in left DL = -11.7603154 16.4095559 net charge in right DL = 11.7758374 -16.4095559 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.402550457 Relative adsorption of ion 1 on right wall = -0.310341467 Relative adsorption of ion 2 on left wall = -0.314124359 Relative adsorption of ion 2 on right wall = 0.407279257 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1145------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00794065698 Right electrode charge = -0.00794065698 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00239 Bulk concentration of Na = 1.00233 ________________________________________________________________________ Average electrode charge 1 = 0.00786751691 Average electrode charge 2 = -0.00786751691 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394262 -0.559757 -0.564467 ________________________________________________________________________ Electrode charge exchange: 0.0638781406 Move Jump Cl: 0.93438 0.36888 Na: 0.93411 0.36899 ________________________________________________________________________ Create NaCl : 1259999. / 3435006. = 0.36681 Destroy NaCl : 1260004. / 3436635. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.0602896 Potential at right wall /kT = -1.0573321 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4093759 Potential at right wall /mV = -27.3329222 ________________________________________________________________________ Capacitance of left DL = 0.0521461905 Capacitance of right DL = 0.0522920503 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.483866 Capacitance of right DL [F/m2] = 36.5859162 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60932045 Adsorption of ion 1 on right wall = -5.09438967 Adsorption of ion 2 on left wall = -5.15046455 Adsorption of ion 2 on right wall = 6.68362068 ------------------------------------------------------------------------ net charge in left DL = -11.759785 11.9130096 net charge in right DL = 11.7780103 -11.9130096 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.554798551 Relative adsorption of ion 1 on right wall = -0.427632466 Relative adsorption of ion 2 on left wall = -0.432339495 Relative adsorption of ion 2 on right wall = 0.561035449 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1150------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00712126145 Right electrode charge = -0.00712126145 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00241 Bulk concentration of Na = 1.00235 ________________________________________________________________________ Average electrode charge 1 = 0.00786797694 Average electrode charge 2 = -0.00786797694 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394315 -0.559757 -0.564520 ________________________________________________________________________ Electrode charge exchange: 0.063876716 Move Jump Cl: 0.93434 0.36890 Na: 0.93413 0.36898 ________________________________________________________________________ Create NaCl : 1265461. / 3450051. = 0.36679 Destroy NaCl : 1265482. / 3451545. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.05838036 Potential at right wall /kT = -1.05650383 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3600204 Potential at right wall /mV = -27.3115107 ________________________________________________________________________ Capacitance of left DL = 0.0468495919 Capacitance of right DL = 0.0469328044 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5496803 Capacitance of right DL [F/m2] = 36.6145985 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61009285 Adsorption of ion 1 on right wall = -5.09160324 Adsorption of ion 2 on left wall = -5.1500411 Adsorption of ion 2 on right wall = 6.68572513 ------------------------------------------------------------------------ net charge in left DL = -11.760134 10.6837074 net charge in right DL = 11.7773284 -10.6837074 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.618707776 Relative adsorption of ion 1 on right wall = -0.47657644 Relative adsorption of ion 2 on left wall = -0.482046251 Relative adsorption of ion 2 on right wall = 0.625786993 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1155------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00779713889 Right electrode charge = -0.00779713889 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00242 Bulk concentration of Na = 1.00236 ________________________________________________________________________ Average electrode charge 1 = 0.00787046885 Average electrode charge 2 = -0.00787046885 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394324 -0.559757 -0.564528 ________________________________________________________________________ Electrode charge exchange: 0.0638741089 Move Jump Cl: 0.93435 0.36892 Na: 0.93412 0.36899 ________________________________________________________________________ Create NaCl : 1270997. / 3465098. = 0.36680 Destroy NaCl : 1271004. / 3466460. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06271346 Potential at right wall /kT = -1.0610477 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4720348 Potential at right wall /mV = -27.4289735 ________________________________________________________________________ Capacitance of left DL = 0.0510869225 Capacitance of right DL = 0.0511671249 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4006528 Capacitance of right DL [F/m2] = 36.4577989 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62585289 Adsorption of ion 1 on right wall = -5.10046652 Adsorption of ion 2 on left wall = -5.14114876 Adsorption of ion 2 on right wall = 6.68373371 ------------------------------------------------------------------------ net charge in left DL = -11.7670016 11.6976959 net charge in right DL = 11.7842002 -11.6976959 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.566423761 Relative adsorption of ion 1 on right wall = -0.436023178 Relative adsorption of ion 2 on left wall = -0.439500977 Relative adsorption of ion 2 on right wall = 0.571371814 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1160------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00928770696 Right electrode charge = -0.00928770696 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 260 -1.00 3.0000 1.5000 Na ion: 260 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00233 Bulk concentration of Na = 1.00225 ________________________________________________________________________ Average electrode charge 1 = 0.00787099508 Average electrode charge 2 = -0.00787099508 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394125 -0.559757 -0.564329 ________________________________________________________________________ Electrode charge exchange: 0.0638825644 Move Jump Cl: 0.93432 0.36895 Na: 0.93412 0.36900 ________________________________________________________________________ Create NaCl : 1276507. / 3480027. = 0.36681 Destroy NaCl : 1276547. / 3481587. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06133326 Potential at right wall /kT = -1.05957032 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4363553 Potential at right wall /mV = -27.390782 ________________________________________________________________________ Capacitance of left DL = 0.0609322737 Capacitance of right DL = 0.061033654 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4479898 Capacitance of right DL [F/m2] = 36.5086327 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62923698 Adsorption of ion 1 on right wall = -5.08992818 Adsorption of ion 2 on left wall = -5.13356959 Adsorption of ion 2 on right wall = 6.69795419 ------------------------------------------------------------------------ net charge in left DL = -11.7628066 13.9339279 net charge in right DL = 11.7878824 -13.9339279 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.475762256 Relative adsorption of ion 1 on right wall = -0.365290262 Relative adsorption of ion 2 on left wall = -0.368422287 Relative adsorption of ion 2 on right wall = 0.480693903 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1165------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00565734662 Right electrode charge = -0.00565734662 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00235 Bulk concentration of Na = 1.00226 ________________________________________________________________________ Average electrode charge 1 = 0.00787447517 Average electrode charge 2 = -0.00787447517 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394157 -0.559757 -0.564361 ________________________________________________________________________ Electrode charge exchange: 0.0638817814 Move Jump Cl: 0.93434 0.36893 Na: 0.93412 0.36899 ________________________________________________________________________ Create NaCl : 1282052. / 3495117. = 0.36681 Destroy NaCl : 1282071. / 3496410. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.05956334 Potential at right wall /kT = -1.05807475 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3906016 Potential at right wall /mV = -27.3521203 ________________________________________________________________________ Capacitance of left DL = 0.0371771862 Capacitance of right DL = 0.0372294902 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5088732 Capacitance of right DL [F/m2] = 36.560237 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63602742 Adsorption of ion 1 on right wall = -5.09211665 Adsorption of ion 2 on left wall = -5.13123092 Adsorption of ion 2 on right wall = 6.69909698 ------------------------------------------------------------------------ net charge in left DL = -11.7672583 8.48746201 net charge in right DL = 11.7912136 -8.48746201 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.7818624 Relative adsorption of ion 1 on right wall = -0.599957518 Relative adsorption of ion 2 on left wall = -0.604565995 Relative adsorption of ion 2 on right wall = 0.78929331 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1170------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0068551812 Right electrode charge = -0.0068551812 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00230 Bulk concentration of Na = 1.00222 ________________________________________________________________________ Average electrode charge 1 = 0.00787301767 Average electrode charge 2 = -0.00787301767 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394065 -0.559757 -0.564270 ________________________________________________________________________ Electrode charge exchange: 0.0638844955 Move Jump Cl: 0.93433 0.36893 Na: 0.93412 0.36899 ________________________________________________________________________ Create NaCl : 1287532. / 3509907. = 0.36683 Destroy NaCl : 1287539. / 3511596. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.06264115 Potential at right wall /kT = -1.0613774 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4701654 Potential at right wall /mV = -27.4374964 ________________________________________________________________________ Capacitance of left DL = 0.0449182641 Capacitance of right DL = 0.0449717468 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.40313 Capacitance of right DL [F/m2] = 36.446474 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63898015 Adsorption of ion 1 on right wall = -5.09984799 Adsorption of ion 2 on left wall = -5.12907651 Adsorption of ion 2 on right wall = 6.69083068 ------------------------------------------------------------------------ net charge in left DL = -11.7680567 10.2845192 net charge in right DL = 11.7906787 -10.2845192 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.645531405 Relative adsorption of ion 1 on right wall = -0.495876169 Relative adsorption of ion 2 on left wall = -0.498718161 Relative adsorption of ion 2 on right wall = 0.650573016 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1175------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00639674579 Right electrode charge = -0.00639674579 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 300 -1.00 3.0000 1.5000 Na ion: 300 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00231 Bulk concentration of Na = 1.00220 ________________________________________________________________________ Average electrode charge 1 = 0.00787271661 Average electrode charge 2 = -0.00787271661 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394058 -0.559757 -0.564262 ________________________________________________________________________ Electrode charge exchange: 0.063887026 Move Jump Cl: 0.93430 0.36894 Na: 0.93411 0.36903 ________________________________________________________________________ Create NaCl : 1293038. / 3524877. = 0.36683 Destroy NaCl : 1293038. / 3526833. = 0.36663 ________________________________________________________________________ Potential at left wall /kT = 1.05929378 Potential at right wall /kT = -1.05834487 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3836333 Potential at right wall /mV = -27.359103 ________________________________________________________________________ Capacitance of left DL = 0.042046836 Capacitance of right DL = 0.0420845354 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5181636 Capacitance of right DL [F/m2] = 36.550906 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64725617 Adsorption of ion 1 on right wall = -5.11263276 Adsorption of ion 2 on left wall = -5.11332569 Adsorption of ion 2 on right wall = 6.68006836 ------------------------------------------------------------------------ net charge in left DL = -11.7605819 9.59674924 net charge in right DL = 11.7927011 -9.59674924 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.692657066 Relative adsorption of ion 1 on right wall = -0.532746312 Relative adsorption of ion 2 on left wall = -0.532818516 Relative adsorption of ion 2 on right wall = 0.69607616 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1180------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00925076192 Right electrode charge = -0.00925076192 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00222 Bulk concentration of Na = 1.00213 ________________________________________________________________________ Average electrode charge 1 = 0.00787722256 Average electrode charge 2 = -0.00787722256 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393900 -0.559757 -0.564104 ________________________________________________________________________ Electrode charge exchange: 0.0638952684 Move Jump Cl: 0.93430 0.36895 Na: 0.93410 0.36904 ________________________________________________________________________ Create NaCl : 1298486. / 3539892. = 0.36682 Destroy NaCl : 1298481. / 3541828. = 0.36661 ________________________________________________________________________ Potential at left wall /kT = 1.05857326 Potential at right wall /kT = -1.05747014 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3650072 Potential at right wall /mV = -27.3364907 ________________________________________________________________________ Capacitance of left DL = 0.0608481299 Capacitance of right DL = 0.0609116048 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5430197 Capacitance of right DL [F/m2] = 36.5811403 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.65984642 Adsorption of ion 1 on right wall = -5.09329172 Adsorption of ion 2 on left wall = -5.10959672 Adsorption of ion 2 on right wall = 6.70229622 ------------------------------------------------------------------------ net charge in left DL = -11.7694431 13.8785009 net charge in right DL = 11.7955879 -13.8785009 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.47986785 Relative adsorption of ion 1 on right wall = -0.366991489 Relative adsorption of ion 2 on left wall = -0.368166327 Relative adsorption of ion 2 on right wall = 0.482926524 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1185------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.0081061434 Right electrode charge = -0.0081061434 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 307 -1.00 3.0000 1.5000 Na ion: 307 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00224 Bulk concentration of Na = 1.00213 ________________________________________________________________________ Average electrode charge 1 = 0.00787820954 Average electrode charge 2 = -0.00787820954 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393921 -0.559757 -0.564125 ________________________________________________________________________ Electrode charge exchange: 0.0639016141 Move Jump Cl: 0.93430 0.36894 Na: 0.93410 0.36904 ________________________________________________________________________ Create NaCl : 1303928. / 3554756. = 0.36681 Destroy NaCl : 1303921. / 3556799. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.05823453 Potential at right wall /kT = -1.05754016 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3562506 Potential at right wall /mV = -27.3383005 ________________________________________________________________________ Capacitance of left DL = 0.0533363151 Capacitance of right DL = 0.0533713352 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.554717 Capacitance of right DL [F/m2] = 36.5787185 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.67066703 Adsorption of ion 1 on right wall = -5.112213 Adsorption of ion 2 on left wall = -5.09659867 Adsorption of ion 2 on right wall = 6.6881846 ------------------------------------------------------------------------ net charge in left DL = -11.7672657 12.1612814 net charge in right DL = 11.8003976 -12.1612814 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.548516789 Relative adsorption of ion 1 on right wall = -0.420367956 Relative adsorption of ion 2 on left wall = -0.419084017 Relative adsorption of ion 2 on right wall = 0.549957227 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1190------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00802805434 Right electrode charge = -0.00802805434 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 272 -1.00 3.0000 1.5000 Na ion: 272 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00209 Bulk concentration of Na = 1.00195 ________________________________________________________________________ Average electrode charge 1 = 0.00787799551 Average electrode charge 2 = -0.00787799551 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393585 -0.559757 -0.563789 ________________________________________________________________________ Electrode charge exchange: 0.0639007855 Move Jump Cl: 0.93431 0.36894 Na: 0.93411 0.36907 ________________________________________________________________________ Create NaCl : 1309397. / 3569537. = 0.36683 Destroy NaCl : 1309425. / 3572045. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.05769416 Potential at right wall /kT = -1.05745006 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3422816 Potential at right wall /mV = -27.3359716 ________________________________________________________________________ Capacitance of left DL = 0.052849496 Capacitance of right DL = 0.0528616955 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5733926 Capacitance of right DL [F/m2] = 36.581835 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.68041846 Adsorption of ion 1 on right wall = -5.11029478 Adsorption of ion 2 on left wall = -5.08174197 Adsorption of ion 2 on right wall = 6.69434732 ------------------------------------------------------------------------ net charge in left DL = -11.7621604 12.0441279 net charge in right DL = 11.8046421 -12.0441279 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.554661866 Relative adsorption of ion 1 on right wall = -0.424297618 Relative adsorption of ion 2 on left wall = -0.421926935 Relative adsorption of ion 2 on right wall = 0.555818352 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1195------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00634274531 Right electrode charge = -0.00634274531 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00209 Bulk concentration of Na = 1.00196 ________________________________________________________________________ Average electrode charge 1 = 0.00787873056 Average electrode charge 2 = -0.00787873056 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393600 -0.559757 -0.563805 ________________________________________________________________________ Electrode charge exchange: 0.0639067694 Move Jump Cl: 0.93429 0.36893 Na: 0.93410 0.36905 ________________________________________________________________________ Create NaCl : 1314923. / 3584527. = 0.36683 Destroy NaCl : 1314936. / 3587090. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.05903883 Potential at right wall /kT = -1.05969362 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3770425 Potential at right wall /mV = -27.3939693 ________________________________________________________________________ Capacitance of left DL = 0.0417019192 Capacitance of right DL = 0.0416761515 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.526955 Capacitance of right DL [F/m2] = 36.5043849 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.68600214 Adsorption of ion 1 on right wall = -5.1083411 Adsorption of ion 2 on left wall = -5.08123575 Adsorption of ion 2 on right wall = 6.69594375 ------------------------------------------------------------------------ net charge in left DL = -11.7672379 9.51573477 net charge in right DL = 11.8042848 -9.51573477 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.702625946 Relative adsorption of ion 1 on right wall = -0.536830967 Relative adsorption of ion 2 on left wall = -0.53398249 Relative adsorption of ion 2 on right wall = 0.703670701 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1200------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00900514168 Right electrode charge = -0.00900514168 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 315 -1.00 3.0000 1.5000 Na ion: 315 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00208 Bulk concentration of Na = 1.00198 ________________________________________________________________________ Average electrode charge 1 = 0.00787882377 Average electrode charge 2 = -0.00787882377 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393606 -0.559757 -0.563811 ________________________________________________________________________ Electrode charge exchange: 0.0639068833 Move Jump Cl: 0.93430 0.36895 Na: 0.93412 0.36904 ________________________________________________________________________ Create NaCl : 1320458. / 3599690. = 0.36683 Destroy NaCl : 1320443. / 3602131. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.06061511 Potential at right wall /kT = -1.0620334 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4177907 Potential at right wall /mV = -27.4544547 ________________________________________________________________________ Capacitance of left DL = 0.0591184981 Capacitance of right DL = 0.0590395483 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4726689 Capacitance of right DL [F/m2] = 36.4239614 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.68771059 Adsorption of ion 1 on right wall = -5.11574128 Adsorption of ion 2 on left wall = -5.08445014 Adsorption of ion 2 on right wall = 6.68673368 ------------------------------------------------------------------------ net charge in left DL = -11.7721607 13.510008 net charge in right DL = 11.802475 -13.510008 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.495018997 Relative adsorption of ion 1 on right wall = -0.378663084 Relative adsorption of ion 2 on left wall = -0.376346938 Relative adsorption of ion 2 on right wall = 0.494946687 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1205------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00597959271 Right electrode charge = -0.00597959271 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 279 -1.00 3.0000 1.5000 Na ion: 279 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00212 Bulk concentration of Na = 1.00201 ________________________________________________________________________ Average electrode charge 1 = 0.00787891354 Average electrode charge 2 = -0.00787891354 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393679 -0.559757 -0.563884 ________________________________________________________________________ Electrode charge exchange: 0.0638932814 Move Jump Cl: 0.93428 0.36895 Na: 0.93411 0.36903 ________________________________________________________________________ Create NaCl : 1325896. / 3614836. = 0.36679 Destroy NaCl : 1325917. / 3617068. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.06003213 Potential at right wall /kT = -1.06125267 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4027202 Potential at right wall /mV = -27.4342722 ________________________________________________________________________ Capacitance of left DL = 0.0392774448 Capacitance of right DL = 0.0392322719 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4927275 Capacitance of right DL [F/m2] = 36.4507573 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.67202083 Adsorption of ion 1 on right wall = -5.10697129 Adsorption of ion 2 on left wall = -5.09857249 Adsorption of ion 2 on right wall = 6.69644369 ------------------------------------------------------------------------ net charge in left DL = -11.7705933 8.97091329 net charge in right DL = 11.803415 -8.97091329 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.743739307 Relative adsorption of ion 1 on right wall = -0.569281089 Relative adsorption of ion 2 on left wall = -0.568344864 Relative adsorption of ion 2 on right wall = 0.746461756 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1210------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00782828088 Right electrode charge = -0.00782828088 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00218 Bulk concentration of Na = 1.00203 ________________________________________________________________________ Average electrode charge 1 = 0.00787766164 Average electrode charge 2 = -0.00787766164 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393759 -0.559757 -0.563964 ________________________________________________________________________ Electrode charge exchange: 0.0638943303 Move Jump Cl: 0.93429 0.36897 Na: 0.93412 0.36906 ________________________________________________________________________ Create NaCl : 1331412. / 3629939. = 0.36679 Destroy NaCl : 1331414. / 3631949. = 0.36658 ________________________________________________________________________ Potential at left wall /kT = 1.0583777 Potential at right wall /kT = -1.05964028 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3599517 Potential at right wall /mV = -27.3925905 ________________________________________________________________________ Capacitance of left DL = 0.0515010842 Capacitance of right DL = 0.0514397196 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5497721 Capacitance of right DL [F/m2] = 36.5062223 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.65566128 Adsorption of ion 1 on right wall = -5.11334271 Adsorption of ion 2 on left wall = -5.10565563 Adsorption of ion 2 on right wall = 6.69326049 ------------------------------------------------------------------------ net charge in left DL = -11.7613169 11.7444168 net charge in right DL = 11.8066032 -11.7444168 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.56670854 Relative adsorption of ion 1 on right wall = -0.435384984 Relative adsorption of ion 2 on left wall = -0.434730453 Relative adsorption of ion 2 on right wall = 0.569909993 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1215------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00492423054 Right electrode charge = -0.00492423054 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 277 -1.00 3.0000 1.5000 Na ion: 277 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00217 Bulk concentration of Na = 1.00199 ________________________________________________________________________ Average electrode charge 1 = 0.00787734352 Average electrode charge 2 = -0.00787734352 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393704 -0.559757 -0.563908 ________________________________________________________________________ Electrode charge exchange: 0.0638885706 Move Jump Cl: 0.93428 0.36897 Na: 0.93414 0.36904 ________________________________________________________________________ Create NaCl : 1336963. / 3644785. = 0.36682 Destroy NaCl : 1336986. / 3647124. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.0582026 Potential at right wall /kT = -1.06054715 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3554252 Potential at right wall /mV = -27.4160339 ________________________________________________________________________ Capacitance of left DL = 0.0324011336 Capacitance of right DL = 0.0323295044 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.55582 Capacitance of right DL [F/m2] = 36.475006 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.66472432 Adsorption of ion 1 on right wall = -5.12275374 Adsorption of ion 2 on left wall = -5.09318852 Adsorption of ion 2 on right wall = 6.68681656 ------------------------------------------------------------------------ net charge in left DL = -11.7579128 7.38760101 net charge in right DL = 11.8095703 -7.38760101 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.902150009 Relative adsorption of ion 1 on right wall = -0.693425881 Relative adsorption of ion 2 on left wall = -0.689423875 Relative adsorption of ion 2 on right wall = 0.905140457 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1220------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00756672068 Right electrode charge = -0.00756672068 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 308 -1.00 3.0000 1.5000 Na ion: 308 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00220 Bulk concentration of Na = 1.00201 ________________________________________________________________________ Average electrode charge 1 = 0.00787745668 Average electrode charge 2 = -0.00787745668 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393757 -0.559757 -0.563961 ________________________________________________________________________ Electrode charge exchange: 0.0638925436 Move Jump Cl: 0.93428 0.36895 Na: 0.93415 0.36903 ________________________________________________________________________ Create NaCl : 1342393. / 3659769. = 0.36680 Destroy NaCl : 1342385. / 3661986. = 0.36657 ________________________________________________________________________ Potential at left wall /kT = 1.05364629 Potential at right wall /kT = -1.05611755 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2376408 Potential at right wall /mV = -27.301525 ________________________________________________________________________ Capacitance of left DL = 0.0500038579 Capacitance of right DL = 0.0498868515 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7138992 Capacitance of right DL [F/m2] = 36.6279905 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.66246275 Adsorption of ion 1 on right wall = -5.11918227 Adsorption of ion 2 on left wall = -5.08945556 Adsorption of ion 2 on right wall = 6.69007142 ------------------------------------------------------------------------ net charge in left DL = -11.7519183 11.3520098 net charge in right DL = 11.8092537 -11.3520098 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.586897198 Relative adsorption of ion 1 on right wall = -0.450949422 Relative adsorption of ion 2 on left wall = -0.448330793 Relative adsorption of ion 2 on right wall = 0.589329249 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1225------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00838882658 Right electrode charge = -0.00838882658 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 320 -1.00 3.0000 1.5000 Na ion: 320 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00222 Bulk concentration of Na = 1.00206 ________________________________________________________________________ Average electrode charge 1 = 0.00788111549 Average electrode charge 2 = -0.00788111549 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393828 -0.559757 -0.564033 ________________________________________________________________________ Electrode charge exchange: 0.0638835932 Move Jump Cl: 0.93427 0.36894 Na: 0.93414 0.36901 ________________________________________________________________________ Create NaCl : 1347973. / 3674800. = 0.36682 Destroy NaCl : 1347953. / 3676963. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.05333209 Potential at right wall /kT = -1.05659153 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2295186 Potential at right wall /mV = -27.3137778 ________________________________________________________________________ Capacitance of left DL = 0.0554531923 Capacitance of right DL = 0.0552821268 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7248506 Capacitance of right DL [F/m2] = 36.6115594 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.67615664 Adsorption of ion 1 on right wall = -5.12556002 Adsorption of ion 2 on left wall = -5.0851573 Adsorption of ion 2 on right wall = 6.68497229 ------------------------------------------------------------------------ net charge in left DL = -11.7613139 12.5853782 net charge in right DL = 11.8105323 -12.5853782 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.53046929 Relative adsorption of ion 1 on right wall = -0.40726309 Relative adsorption of ion 2 on left wall = -0.404052799 Relative adsorption of ion 2 on right wall = 0.531169757 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1230------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00708993518 Right electrode charge = -0.00708993518 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00219 Bulk concentration of Na = 1.00203 ________________________________________________________________________ Average electrode charge 1 = 0.00788294659 Average electrode charge 2 = -0.00788294659 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393767 -0.559757 -0.563972 ________________________________________________________________________ Electrode charge exchange: 0.0638905304 Move Jump Cl: 0.93428 0.36892 Na: 0.93415 0.36901 ________________________________________________________________________ Create NaCl : 1353469. / 3689771. = 0.36682 Destroy NaCl : 1353485. / 3692058. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.05307466 Potential at right wall /kT = -1.05635001 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2228636 Potential at right wall /mV = -27.3075343 ________________________________________________________________________ Capacitance of left DL = 0.0468785053 Capacitance of right DL = 0.0467331521 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7338283 Capacitance of right DL [F/m2] = 36.6199302 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.67623327 Adsorption of ion 1 on right wall = -5.11892533 Adsorption of ion 2 on left wall = -5.08804607 Adsorption of ion 2 on right wall = 6.69365738 ------------------------------------------------------------------------ net charge in left DL = -11.7642793 10.63671 net charge in right DL = 11.8125827 -10.63671 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.627659611 Relative adsorption of ion 1 on right wall = -0.481250812 Relative adsorption of ion 2 on left wall = -0.478347728 Relative adsorption of ion 2 on right wall = 0.629297722 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1235------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00610709823 Right electrode charge = -0.00610709823 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 281 -1.00 3.0000 1.5000 Na ion: 281 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00219 Bulk concentration of Na = 1.00206 ________________________________________________________________________ Average electrode charge 1 = 0.00788202983 Average electrode charge 2 = -0.00788202983 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393796 -0.559757 -0.564000 ________________________________________________________________________ Electrode charge exchange: 0.063894311 Move Jump Cl: 0.93428 0.36896 Na: 0.93415 0.36900 ________________________________________________________________________ Create NaCl : 1358934. / 3704718. = 0.36681 Destroy NaCl : 1358953. / 3707050. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.05181683 Potential at right wall /kT = -1.05536454 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1903477 Potential at right wall /mV = -27.282059 ________________________________________________________________________ Capacitance of left DL = 0.0404282965 Capacitance of right DL = 0.0402923929 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7777569 Capacitance of right DL [F/m2] = 36.654125 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.66894679 Adsorption of ion 1 on right wall = -5.11641495 Adsorption of ion 2 on left wall = -5.09837503 Adsorption of ion 2 on right wall = 6.68898185 ------------------------------------------------------------------------ net charge in left DL = -11.7673218 9.16220407 net charge in right DL = 11.8053968 -9.16220407 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.727875819 Relative adsorption of ion 1 on right wall = -0.558426216 Relative adsorption of ion 2 on left wall = -0.556457266 Relative adsorption of ion 2 on right wall = 0.730062526 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1240------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00694356696 Right electrode charge = -0.00694356696 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 273 -1.00 3.0000 1.5000 Na ion: 273 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00228 Bulk concentration of Na = 1.00216 ________________________________________________________________________ Average electrode charge 1 = 0.00788214563 Average electrode charge 2 = -0.00788214563 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393996 -0.559757 -0.564200 ________________________________________________________________________ Electrode charge exchange: 0.0639064039 Move Jump Cl: 0.93428 0.36894 Na: 0.93414 0.36901 ________________________________________________________________________ Create NaCl : 1364369. / 3719820. = 0.36678 Destroy NaCl : 1364396. / 3721855. = 0.36659 ________________________________________________________________________ Potential at left wall /kT = 1.05216395 Potential at right wall /kT = -1.05612402 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1993212 Potential at right wall /mV = -27.3016922 ________________________________________________________________________ Capacitance of left DL = 0.0459504598 Capacitance of right DL = 0.045778163 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7656234 Capacitance of right DL [F/m2] = 36.6277663 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.65528595 Adsorption of ion 1 on right wall = -5.11138334 Adsorption of ion 2 on left wall = -5.11390488 Adsorption of ion 2 on right wall = 6.69349518 ------------------------------------------------------------------------ net charge in left DL = -11.7691908 10.4171204 net charge in right DL = 11.8048785 -10.4171204 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.638879623 Relative adsorption of ion 1 on right wall = -0.490671428 Relative adsorption of ion 2 on left wall = -0.490913486 Relative adsorption of ion 2 on right wall = 0.64254755 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1245------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00707678077 Right electrode charge = -0.00707678077 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00229 Bulk concentration of Na = 1.00216 ________________________________________________________________________ Average electrode charge 1 = 0.00788115414 Average electrode charge 2 = -0.00788115414 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.393994 -0.559757 -0.564199 ________________________________________________________________________ Electrode charge exchange: 0.0639003358 Move Jump Cl: 0.93430 0.36894 Na: 0.93413 0.36901 ________________________________________________________________________ Create NaCl : 1369959. / 3734739. = 0.36682 Destroy NaCl : 1369958. / 3736911. = 0.36660 ________________________________________________________________________ Potential at left wall /kT = 1.04891255 Potential at right wall /kT = -1.05267236 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1152696 Potential at right wall /mV = -27.212464 ________________________________________________________________________ Capacitance of left DL = 0.0469771985 Capacitance of right DL = 0.0468094107 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.879589 Capacitance of right DL [F/m2] = 36.7478667 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.66193529 Adsorption of ion 1 on right wall = -5.12120353 Adsorption of ion 2 on left wall = -5.10300506 Adsorption of ion 2 on right wall = 6.67992465 ------------------------------------------------------------------------ net charge in left DL = -11.7649404 10.6169751 net charge in right DL = 11.8011282 -10.6169751 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.627479603 Relative adsorption of ion 1 on right wall = -0.482359947 Relative adsorption of ion 2 on left wall = -0.480645856 Relative adsorption of ion 2 on right wall = 0.629173999 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1250------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00517622355 Right electrode charge = -0.00517622355 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 282 -1.00 3.0000 1.5000 Na ion: 282 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00235 Bulk concentration of Na = 1.00224 ________________________________________________________________________ Average electrode charge 1 = 0.00787919783 Average electrode charge 2 = -0.00787919783 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394137 -0.559757 -0.564341 ________________________________________________________________________ Electrode charge exchange: 0.0639032892 Move Jump Cl: 0.93432 0.36896 Na: 0.93412 0.36900 ________________________________________________________________________ Create NaCl : 1375520. / 3749798. = 0.36683 Destroy NaCl : 1375538. / 3751921. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.0499616 Potential at right wall /kT = -1.05434691 ------------------------------------------------------------------------ Potential at left wall /mV = 27.1423885 Potential at right wall /mV = -27.2557525 ________________________________________________________________________ Capacitance of left DL = 0.0343265583 Capacitance of right DL = 0.0341837849 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.8427414 Capacitance of right DL [F/m2] = 36.6895026 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63683581 Adsorption of ion 1 on right wall = -5.13182086 Adsorption of ion 2 on left wall = -5.12721834 Adsorption of ion 2 on right wall = 6.66656286 ------------------------------------------------------------------------ net charge in left DL = -11.7640541 7.76565477 net charge in right DL = 11.7983837 -7.76565477 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.854639564 Relative adsorption of ion 1 on right wall = -0.660835566 Relative adsorption of ion 2 on left wall = -0.660242888 Relative adsorption of ion 2 on right wall = 0.858467581 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1255------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00841801722 Right electrode charge = -0.00841801722 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00242 Bulk concentration of Na = 1.00231 ________________________________________________________________________ Average electrode charge 1 = 0.00787810677 Average electrode charge 2 = -0.00787810677 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394272 -0.559757 -0.564477 ________________________________________________________________________ Electrode charge exchange: 0.063896566 Move Jump Cl: 0.93433 0.36897 Na: 0.93413 0.36899 ________________________________________________________________________ Create NaCl : 1381082. / 3765031. = 0.36682 Destroy NaCl : 1381077. / 3766758. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.05252207 Potential at right wall /kT = -1.05697101 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2085787 Potential at right wall /mV = -27.3235876 ________________________________________________________________________ Capacitance of left DL = 0.0556889785 Capacitance of right DL = 0.0554545756 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.7531141 Capacitance of right DL [F/m2] = 36.598415 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63942038 Adsorption of ion 1 on right wall = -5.13935664 Adsorption of ion 2 on left wall = -5.12590981 Adsorption of ion 2 on right wall = 6.65847332 ------------------------------------------------------------------------ net charge in left DL = -11.7653302 12.6291716 net charge in right DL = 11.79783 -12.6291716 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.525720972 Relative adsorption of ion 1 on right wall = -0.406943289 Relative adsorption of ion 2 on left wall = -0.405878546 Relative adsorption of ion 2 on right wall = 0.527229617 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1260------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00534652238 Right electrode charge = -0.00534652238 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 270 -1.00 3.0000 1.5000 Na ion: 270 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00250 Bulk concentration of Na = 1.00241 ________________________________________________________________________ Average electrode charge 1 = 0.00787871798 Average electrode charge 2 = -0.00787871798 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394455 -0.559757 -0.564660 ________________________________________________________________________ Electrode charge exchange: 0.0638883707 Move Jump Cl: 0.93432 0.36899 Na: 0.93412 0.36899 ________________________________________________________________________ Create NaCl : 1386564. / 3780017. = 0.36681 Destroy NaCl : 1386594. / 3781552. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.05400151 Potential at right wall /kT = -1.05779237 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2468235 Potential at right wall /mV = -27.3448205 ________________________________________________________________________ Capacitance of left DL = 0.0353200093 Capacitance of right DL = 0.0351934313 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.701526 Capacitance of right DL [F/m2] = 36.5699969 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62837216 Adsorption of ion 1 on right wall = -5.14538498 Adsorption of ion 2 on left wall = -5.14113471 Adsorption of ion 2 on right wall = 6.65149955 ------------------------------------------------------------------------ net charge in left DL = -11.7695069 8.02114643 net charge in right DL = 11.7968845 -8.02114643 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.826362194 Relative adsorption of ion 1 on right wall = -0.641477503 Relative adsorption of ion 2 on left wall = -0.640947619 Relative adsorption of ion 2 on right wall = 0.829245496 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1265------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00676132512 Right electrode charge = -0.00676132512 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 296 -1.00 3.0000 1.5000 Na ion: 296 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00262 Bulk concentration of Na = 1.00253 ________________________________________________________________________ Average electrode charge 1 = 0.00787844186 Average electrode charge 2 = -0.00787844186 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394702 -0.559757 -0.564906 ________________________________________________________________________ Electrode charge exchange: 0.0638886915 Move Jump Cl: 0.93433 0.36897 Na: 0.93410 0.36899 ________________________________________________________________________ Create NaCl : 1392114. / 3795119. = 0.36682 Destroy NaCl : 1392118. / 3796484. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.05591925 Potential at right wall /kT = -1.05912875 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2963988 Potential at right wall /mV = -27.3793671 ________________________________________________________________________ Capacitance of left DL = 0.0445853072 Capacitance of right DL = 0.0444501994 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6348692 Capacitance of right DL [F/m2] = 36.5238538 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62004979 Adsorption of ion 1 on right wall = -5.14954481 Adsorption of ion 2 on left wall = -5.1512635 Adsorption of ion 2 on right wall = 6.64692794 ------------------------------------------------------------------------ net charge in left DL = -11.7713133 10.1437112 net charge in right DL = 11.7964727 -10.1437112 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.652626015 Relative adsorption of ion 1 on right wall = -0.507658856 Relative adsorption of ion 2 on left wall = -0.50782829 Relative adsorption of ion 2 on right wall = 0.65527575 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1270------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00671029026 Right electrode charge = -0.00671029026 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 299 -1.00 3.0000 1.5000 Na ion: 299 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00274 Bulk concentration of Na = 1.00264 ________________________________________________________________________ Average electrode charge 1 = 0.00787691766 Average electrode charge 2 = -0.00787691766 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394924 -0.559757 -0.565129 ________________________________________________________________________ Electrode charge exchange: 0.0638818709 Move Jump Cl: 0.93430 0.36896 Na: 0.93409 0.36898 ________________________________________________________________________ Create NaCl : 1397576. / 3810319. = 0.36679 Destroy NaCl : 1397577. / 3811342. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.05743824 Potential at right wall /kT = -1.06091703 ------------------------------------------------------------------------ Potential at left wall /mV = 27.335666 Potential at right wall /mV = -27.4255956 ________________________________________________________________________ Capacitance of left DL = 0.0441852123 Capacitance of right DL = 0.0440403273 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5822438 Capacitance of right DL [F/m2] = 36.4622893 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60702288 Adsorption of ion 1 on right wall = -5.15424352 Adsorption of ion 2 on left wall = -5.16159147 Adsorption of ion 2 on right wall = 6.64284882 ------------------------------------------------------------------------ net charge in left DL = -11.7686144 10.0671459 net charge in right DL = 11.7970923 -10.0671459 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.656295534 Relative adsorption of ion 1 on right wall = -0.511986573 Relative adsorption of ion 2 on left wall = -0.512716467 Relative adsorption of ion 2 on right wall = 0.659854233 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1275------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00539593503 Right electrode charge = -0.00539593503 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 275 -1.00 3.0000 1.5000 Na ion: 275 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00274 Bulk concentration of Na = 1.00268 ________________________________________________________________________ Average electrode charge 1 = 0.00787499942 Average electrode charge 2 = -0.00787499942 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394962 -0.559757 -0.565166 ________________________________________________________________________ Electrode charge exchange: 0.063892626 Move Jump Cl: 0.93429 0.36896 Na: 0.93407 0.36900 ________________________________________________________________________ Create NaCl : 1403016. / 3825230. = 0.36678 Destroy NaCl : 1403041. / 3826266. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.0622015 Potential at right wall /kT = -1.06619302 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4588002 Potential at right wall /mV = -27.5619842 ________________________________________________________________________ Capacitance of left DL = 0.0353712537 Capacitance of right DL = 0.0352388341 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4181972 Capacitance of right DL [F/m2] = 36.2818581 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60486974 Adsorption of ion 1 on right wall = -5.14500595 Adsorption of ion 2 on left wall = -5.17059428 Adsorption of ion 2 on right wall = 6.64703212 ------------------------------------------------------------------------ net charge in left DL = -11.775464 8.09527799 net charge in right DL = 11.7920381 -8.09527799 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.815891653 Relative adsorption of ion 1 on right wall = -0.635556426 Relative adsorption of ion 2 on left wall = -0.638717323 Relative adsorption of ion 2 on right wall = 0.821099922 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1280------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00876117661 Right electrode charge = -0.00876117661 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 311 -1.00 3.0000 1.5000 Na ion: 311 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00277 Bulk concentration of Na = 1.00272 ________________________________________________________________________ Average electrode charge 1 = 0.00787377267 Average electrode charge 2 = -0.00787377267 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395035 -0.559757 -0.565239 ________________________________________________________________________ Electrode charge exchange: 0.0638973782 Move Jump Cl: 0.93429 0.36896 Na: 0.93407 0.36899 ________________________________________________________________________ Create NaCl : 1408501. / 3840304. = 0.36677 Destroy NaCl : 1408490. / 3841209. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.05541276 Potential at right wall /kT = -1.05968653 ------------------------------------------------------------------------ Potential at left wall /mV = 27.2833055 Potential at right wall /mV = -27.393786 ________________________________________________________________________ Capacitance of left DL = 0.0578003872 Capacitance of right DL = 0.0575672753 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.6524504 Capacitance of right DL [F/m2] = 36.5046292 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60157933 Adsorption of ion 1 on right wall = -5.14291898 Adsorption of ion 2 on left wall = -5.16791999 Adsorption of ion 2 on right wall = 6.64219407 ------------------------------------------------------------------------ net charge in left DL = -11.7694993 13.1439982 net charge in right DL = 11.785113 -13.1439982 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.502250475 Relative adsorption of ion 1 on right wall = -0.391275083 Relative adsorption of ion 2 on left wall = -0.393177169 Relative adsorption of ion 2 on right wall = 0.505340459 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1285------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00871936833 Right electrode charge = -0.00871936833 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00274 Bulk concentration of Na = 1.00269 ________________________________________________________________________ Average electrode charge 1 = 0.00787202777 Average electrode charge 2 = -0.00787202777 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394981 -0.559757 -0.565186 ________________________________________________________________________ Electrode charge exchange: 0.0638980791 Move Jump Cl: 0.93427 0.36897 Na: 0.93408 0.36898 ________________________________________________________________________ Create NaCl : 1414022. / 3855276. = 0.36678 Destroy NaCl : 1414021. / 3856308. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.06025849 Potential at right wall /kT = -1.06471276 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4085718 Potential at right wall /mV = -27.5237184 ________________________________________________________________________ Capacitance of left DL = 0.0572616577 Capacitance of right DL = 0.0570221013 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4849364 Capacitance of right DL [F/m2] = 36.3323002 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60656102 Adsorption of ion 1 on right wall = -5.14104183 Adsorption of ion 2 on left wall = -5.16450106 Adsorption of ion 2 on right wall = 6.64456846 ------------------------------------------------------------------------ net charge in left DL = -11.7710621 13.0812751 net charge in right DL = 11.7856103 -13.0812751 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.505039529 Relative adsorption of ion 1 on right wall = -0.393007699 Relative adsorption of ion 2 on left wall = -0.394801044 Relative adsorption of ion 2 on right wall = 0.507945013 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1290------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00779844319 Right electrode charge = -0.00779844319 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 295 -1.00 3.0000 1.5000 Na ion: 295 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00272 Bulk concentration of Na = 1.00266 ________________________________________________________________________ Average electrode charge 1 = 0.00787257824 Average electrode charge 2 = -0.00787257824 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394919 -0.559757 -0.565123 ________________________________________________________________________ Electrode charge exchange: 0.0639072164 Move Jump Cl: 0.93427 0.36898 Na: 0.93407 0.36899 ________________________________________________________________________ Create NaCl : 1419516. / 3870234. = 0.36678 Destroy NaCl : 1419521. / 3871331. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.0619892 Potential at right wall /kT = -1.06626649 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4533121 Potential at right wall /mV = -27.5638836 ________________________________________________________________________ Capacitance of left DL = 0.0511303145 Capacitance of right DL = 0.0509252071 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4254774 Capacitance of right DL [F/m2] = 36.2793579 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59962229 Adsorption of ion 1 on right wall = -5.13116395 Adsorption of ion 2 on left wall = -5.1717815 Adsorption of ion 2 on right wall = 6.6582187 ------------------------------------------------------------------------ net charge in left DL = -11.7714038 11.6996526 net charge in right DL = 11.7893827 -11.6996526 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.564087028 Relative adsorption of ion 1 on right wall = -0.438574042 Relative adsorption of ion 2 on left wall = -0.44204573 Relative adsorption of ion 2 on right wall = 0.569095417 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1295------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00648633406 Right electrode charge = -0.00648633406 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00267 Bulk concentration of Na = 1.00261 ________________________________________________________________________ Average electrode charge 1 = 0.00787079715 Average electrode charge 2 = -0.00787079715 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394820 -0.559757 -0.565025 ________________________________________________________________________ Electrode charge exchange: 0.063893623 Move Jump Cl: 0.93427 0.36897 Na: 0.93408 0.36898 ________________________________________________________________________ Create NaCl : 1424999. / 3885227. = 0.36677 Destroy NaCl : 1425010. / 3886458. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.05979549 Potential at right wall /kT = -1.06473373 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3966028 Potential at right wall /mV = -27.5242605 ________________________________________________________________________ Capacitance of left DL = 0.0426155304 Capacitance of right DL = 0.0424178793 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5008759 Capacitance of right DL [F/m2] = 36.3315846 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.58847501 Adsorption of ion 1 on right wall = -5.11496193 Adsorption of ion 2 on left wall = -5.17941769 Adsorption of ion 2 on right wall = 6.66971191 ------------------------------------------------------------------------ net charge in left DL = -11.7678927 9.73115449 net charge in right DL = 11.7846738 -9.73115449 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.677049677 Relative adsorption of ion 1 on right wall = -0.525627451 Relative adsorption of ion 2 on left wall = -0.532251101 Relative adsorption of ion 2 on right wall = 0.685397804 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1300------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00870812326 Right electrode charge = -0.00870812326 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 309 -1.00 3.0000 1.5000 Na ion: 309 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00265 Bulk concentration of Na = 1.00258 ________________________________________________________________________ Average electrode charge 1 = 0.00787071668 Average electrode charge 2 = -0.00787071668 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394774 -0.559757 -0.564979 ________________________________________________________________________ Electrode charge exchange: 0.0638896177 Move Jump Cl: 0.93424 0.36893 Na: 0.93406 0.36899 ________________________________________________________________________ Create NaCl : 1430455. / 3900412. = 0.36674 Destroy NaCl : 1430446. / 3901356. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.06071775 Potential at right wall /kT = -1.06568945 ------------------------------------------------------------------------ Potential at left wall /mV = 27.4204441 Potential at right wall /mV = -27.5489667 ________________________________________________________________________ Capacitance of left DL = 0.0571630486 Capacitance of right DL = 0.0568963691 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.4691395 Capacitance of right DL [F/m2] = 36.2990021 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59838056 Adsorption of ion 1 on right wall = -5.09849906 Adsorption of ion 2 on left wall = -5.16868827 Adsorption of ion 2 on right wall = 6.68832737 ------------------------------------------------------------------------ net charge in left DL = -11.7670688 13.0644046 net charge in right DL = 11.7868264 -13.0644046 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.505065539 Relative adsorption of ion 1 on right wall = -0.390258814 Relative adsorption of ion 2 on left wall = -0.395631368 Relative adsorption of ion 2 on right wall = 0.511950415 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1305------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00973465555 Right electrode charge = -0.00973465555 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 290 -1.00 3.0000 1.5000 Na ion: 290 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00275 Bulk concentration of Na = 1.00267 ________________________________________________________________________ Average electrode charge 1 = 0.00787330042 Average electrode charge 2 = -0.00787330042 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394965 -0.559757 -0.565169 ________________________________________________________________________ Electrode charge exchange: 0.0638887602 Move Jump Cl: 0.93424 0.36891 Na: 0.93406 0.36900 ________________________________________________________________________ Create NaCl : 1435976. / 3915507. = 0.36674 Destroy NaCl : 1435986. / 3916381. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.05974636 Potential at right wall /kT = -1.06536317 ------------------------------------------------------------------------ Potential at left wall /mV = 27.3953328 Potential at right wall /mV = -27.5405319 ________________________________________________________________________ Capacitance of left DL = 0.0639601255 Capacitance of right DL = 0.0636229152 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.5025681 Capacitance of right DL [F/m2] = 36.3101194 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5945943 Adsorption of ion 1 on right wall = -5.11069989 Adsorption of ion 2 on left wall = -5.17267494 Adsorption of ion 2 on right wall = 6.68238834 ------------------------------------------------------------------------ net charge in left DL = -11.7672692 14.6044647 net charge in right DL = 11.7930882 -14.6044647 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.451546456 Relative adsorption of ion 1 on right wall = -0.349940925 Relative adsorption of ion 2 on left wall = -0.354184494 Relative adsorption of ion 2 on right wall = 0.457557909 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1310------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00912843557 Right electrode charge = -0.00912843557 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 301 -1.00 3.0000 1.5000 Na ion: 301 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00278 Bulk concentration of Na = 1.00267 ________________________________________________________________________ Average electrode charge 1 = 0.00787432205 Average electrode charge 2 = -0.00787432205 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394990 -0.559757 -0.565195 ________________________________________________________________________ Electrode charge exchange: 0.0638767738 Move Jump Cl: 0.93423 0.36889 Na: 0.93407 0.36899 ________________________________________________________________________ Create NaCl : 1441440. / 3930509. = 0.36673 Destroy NaCl : 1441439. / 3931324. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.06524371 Potential at right wall /kT = -1.07003726 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5374439 Potential at right wall /mV = -27.6613611 ________________________________________________________________________ Capacitance of left DL = 0.0596675256 Capacitance of right DL = 0.0594002274 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3141911 Capacitance of right DL [F/m2] = 36.151511 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59026761 Adsorption of ion 1 on right wall = -5.11773068 Adsorption of ion 2 on left wall = -5.17929297 Adsorption of ion 2 on right wall = 6.6833534 ------------------------------------------------------------------------ net charge in left DL = -11.7695606 13.6949802 net charge in right DL = 11.8010841 -13.6949802 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.481217752 Relative adsorption of ion 1 on right wall = -0.373693907 Relative adsorption of ion 2 on left wall = -0.378189153 Relative adsorption of ion 2 on right wall = 0.488014826 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1315------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00844868651 Right electrode charge = -0.00844868651 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 293 -1.00 3.0000 1.5000 Na ion: 293 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00282 Bulk concentration of Na = 1.00269 ________________________________________________________________________ Average electrode charge 1 = 0.00787434198 Average electrode charge 2 = -0.00787434198 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.395057 -0.559757 -0.565261 ________________________________________________________________________ Electrode charge exchange: 0.0638784724 Move Jump Cl: 0.93423 0.36887 Na: 0.93406 0.36900 ________________________________________________________________________ Create NaCl : 1446894. / 3945531. = 0.36672 Destroy NaCl : 1446901. / 3946116. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06472989 Potential at right wall /kT = -1.06920497 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5241613 Potential at right wall /mV = -27.6398458 ________________________________________________________________________ Capacitance of left DL = 0.0552510329 Capacitance of right DL = 0.0550197837 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3317156 Capacitance of right DL [F/m2] = 36.1796519 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.5879784 Adsorption of ion 1 on right wall = -5.12165588 Adsorption of ion 2 on left wall = -5.17878696 Adsorption of ion 2 on right wall = 6.68136026 ------------------------------------------------------------------------ net charge in left DL = -11.7667654 12.6751834 net charge in right DL = 11.8030161 -12.6751834 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.51975409 Relative adsorption of ion 1 on right wall = -0.404069569 Relative adsorption of ion 2 on left wall = -0.408576886 Relative adsorption of ion 2 on right wall = 0.527121388 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1320------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00910914325 Right electrode charge = -0.00910914325 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 284 -1.00 3.0000 1.5000 Na ion: 284 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00275 Bulk concentration of Na = 1.00264 ________________________________________________________________________ Average electrode charge 1 = 0.00787690232 Average electrode charge 2 = -0.00787690232 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394928 -0.559757 -0.565133 ________________________________________________________________________ Electrode charge exchange: 0.0638809848 Move Jump Cl: 0.93423 0.36886 Na: 0.93408 0.36898 ________________________________________________________________________ Create NaCl : 1452397. / 3960508. = 0.36672 Destroy NaCl : 1452413. / 3961203. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06678648 Potential at right wall /kT = -1.07147077 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5773258 Potential at right wall /mV = -27.6984185 ________________________________________________________________________ Capacitance of left DL = 0.0594553145 Capacitance of right DL = 0.0591953862 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.261674 Capacitance of right DL [F/m2] = 36.1031443 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.59647377 Adsorption of ion 1 on right wall = -5.11585565 Adsorption of ion 2 on left wall = -5.17793736 Adsorption of ion 2 on right wall = 6.69008309 ------------------------------------------------------------------------ net charge in left DL = -11.7744111 13.6660368 net charge in right DL = 11.8059387 -13.6660368 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.482691057 Relative adsorption of ion 1 on right wall = -0.374348153 Relative adsorption of ion 2 on left wall = -0.378890927 Relative adsorption of ion 2 on right wall = 0.489540836 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1325------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00571953504 Right electrode charge = -0.00571953504 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00262 Bulk concentration of Na = 1.00251 ________________________________________________________________________ Average electrode charge 1 = 0.00787634852 Average electrode charge 2 = -0.00787634852 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394677 -0.559757 -0.564881 ________________________________________________________________________ Electrode charge exchange: 0.0638839673 Move Jump Cl: 0.93424 0.36888 Na: 0.93407 0.36898 ________________________________________________________________________ Create NaCl : 1457945. / 3975357. = 0.36675 Destroy NaCl : 1457958. / 3976197. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.07284967 Potential at right wall /kT = -1.07772382 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7340644 Potential at right wall /mV = -27.8600652 ________________________________________________________________________ Capacitance of left DL = 0.0371203878 Capacitance of right DL = 0.0369525059 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0567419 Capacitance of right DL [F/m2] = 35.8936704 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60301719 Adsorption of ion 1 on right wall = -5.10993583 Adsorption of ion 2 on left wall = -5.17488904 Adsorption of ion 2 on right wall = 6.69988247 ------------------------------------------------------------------------ net charge in left DL = -11.7779062 8.5807605 net charge in right DL = 11.8098183 -8.5807605 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.769514217 Relative adsorption of ion 1 on right wall = -0.595510832 Relative adsorption of ion 2 on left wall = -0.603080466 Relative adsorption of ion 2 on right wall = 0.780802876 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1330------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00818688242 Right electrode charge = -0.00818688242 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 291 -1.00 3.0000 1.5000 Na ion: 291 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00258 Bulk concentration of Na = 1.00247 ________________________________________________________________________ Average electrode charge 1 = 0.00788094115 Average electrode charge 2 = -0.00788094115 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394594 -0.559757 -0.564799 ________________________________________________________________________ Electrode charge exchange: 0.063885004 Move Jump Cl: 0.93422 0.36888 Na: 0.93407 0.36896 ________________________________________________________________________ Create NaCl : 1463355. / 3990375. = 0.36672 Destroy NaCl : 1463364. / 3991042. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.07324753 Potential at right wall /kT = -1.07800034 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7443493 Potential at right wall /mV = -27.8672135 ________________________________________________________________________ Capacitance of left DL = 0.0531140365 Capacitance of right DL = 0.0528798613 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0433755 Capacitance of right DL [F/m2] = 35.8844633 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61358696 Adsorption of ion 1 on right wall = -5.10616285 Adsorption of ion 2 on left wall = -5.17099276 Adsorption of ion 2 on right wall = 6.71098036 ------------------------------------------------------------------------ net charge in left DL = -11.7845797 12.2824105 net charge in right DL = 11.8171432 -12.2824105 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.538460016 Relative adsorption of ion 1 on right wall = -0.415729701 Relative adsorption of ion 2 on left wall = -0.421007974 Relative adsorption of ion 2 on right wall = 0.546389518 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1335------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00961060323 Right electrode charge = -0.00961060323 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 287 -1.00 3.0000 1.5000 Na ion: 287 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00252 Bulk concentration of Na = 1.00242 ________________________________________________________________________ Average electrode charge 1 = 0.00787927413 Average electrode charge 2 = -0.00787927413 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394485 -0.559757 -0.564690 ________________________________________________________________________ Electrode charge exchange: 0.063883613 Move Jump Cl: 0.93424 0.36887 Na: 0.93408 0.36898 ________________________________________________________________________ Create NaCl : 1468897. / 4005266. = 0.36674 Destroy NaCl : 1468910. / 4006145. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.0730112 Potential at right wall /kT = -1.0776376 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7382401 Potential at right wall /mV = -27.8578364 ________________________________________________________________________ Capacitance of left DL = 0.0623644424 Capacitance of right DL = 0.0620967061 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0513139 Capacitance of right DL [F/m2] = 35.8965422 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61358647 Adsorption of ion 1 on right wall = -5.10531079 Adsorption of ion 2 on left wall = -5.16894606 Adsorption of ion 2 on right wall = 6.70884883 ------------------------------------------------------------------------ net charge in left DL = -11.7825325 14.4183546 net charge in right DL = 11.8141596 -14.4183546 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.458692177 Relative adsorption of ion 1 on right wall = -0.354084146 Relative adsorption of ion 2 on left wall = -0.358497637 Relative adsorption of ion 2 on right wall = 0.465299197 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1340------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00667625491 Right electrode charge = -0.00667625491 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 297 -1.00 3.0000 1.5000 Na ion: 297 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00263 Bulk concentration of Na = 1.00252 ________________________________________________________________________ Average electrode charge 1 = 0.00788094737 Average electrode charge 2 = -0.00788094737 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394694 -0.559757 -0.564899 ________________________________________________________________________ Electrode charge exchange: 0.0638944846 Move Jump Cl: 0.93422 0.36887 Na: 0.93408 0.36895 ________________________________________________________________________ Create NaCl : 1474400. / 4020229. = 0.36675 Destroy NaCl : 1474403. / 4021003. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.07331161 Potential at right wall /kT = -1.07802427 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7460059 Potential at right wall /mV = -27.8678319 ________________________________________________________________________ Capacitance of left DL = 0.0433109525 Capacitance of right DL = 0.0431216159 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0412235 Capacitance of right DL [F/m2] = 35.883667 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60992723 Adsorption of ion 1 on right wall = -5.11823054 Adsorption of ion 2 on left wall = -5.17457517 Adsorption of ion 2 on right wall = 6.69920512 ------------------------------------------------------------------------ net charge in left DL = -11.7845024 10.0160842 net charge in right DL = 11.8174357 -10.0160842 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.659931278 Relative adsorption of ion 1 on right wall = -0.511001151 Relative adsorption of ion 2 on left wall = -0.516626566 Relative adsorption of ion 2 on right wall = 0.66884473 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1345------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00746598642 Right electrode charge = -0.00746598642 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 318 -1.00 3.0000 1.5000 Na ion: 318 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00267 Bulk concentration of Na = 1.00256 ________________________________________________________________________ Average electrode charge 1 = 0.00787927688 Average electrode charge 2 = -0.00787927688 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394779 -0.559757 -0.564984 ________________________________________________________________________ Electrode charge exchange: 0.0638915885 Move Jump Cl: 0.93422 0.36886 Na: 0.93407 0.36895 ________________________________________________________________________ Create NaCl : 1479705. / 4035071. = 0.36671 Destroy NaCl : 1479687. / 4036031. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.07371442 Potential at right wall /kT = -1.07855011 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7564188 Potential at right wall /mV = -27.8814255 ________________________________________________________________________ Capacitance of left DL = 0.0484160175 Capacitance of right DL = 0.0481989436 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0277026 Capacitance of right DL [F/m2] = 35.8661719 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61502631 Adsorption of ion 1 on right wall = -5.12702983 Adsorption of ion 2 on left wall = -5.16718431 Adsorption of ion 2 on right wall = 6.68859425 ------------------------------------------------------------------------ net charge in left DL = -11.7822106 11.2008827 net charge in right DL = 11.8156241 -11.2008827 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.590580802 Relative adsorption of ion 1 on right wall = -0.457734443 Relative adsorption of ion 2 on left wall = -0.461319383 Relative adsorption of ion 2 on right wall = 0.59714885 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1350------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00786870085 Right electrode charge = -0.00786870085 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 305 -1.00 3.0000 1.5000 Na ion: 305 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00270 Bulk concentration of Na = 1.00260 ________________________________________________________________________ Average electrode charge 1 = 0.00788178375 Average electrode charge 2 = -0.00788178375 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394845 -0.559757 -0.565050 ________________________________________________________________________ Electrode charge exchange: 0.0638860826 Move Jump Cl: 0.93422 0.36882 Na: 0.93408 0.36895 ________________________________________________________________________ Create NaCl : 1485208. / 4050151. = 0.36670 Destroy NaCl : 1485203. / 4051015. = 0.36662 ________________________________________________________________________ Potential at left wall /kT = 1.07363573 Potential at right wall /kT = -1.07818614 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7543847 Potential at right wall /mV = -27.8720165 ________________________________________________________________________ Capacitance of left DL = 0.0510313115 Capacitance of right DL = 0.0508159375 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.030343 Capacitance of right DL [F/m2] = 35.8782795 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60821596 Adsorption of ion 1 on right wall = -5.11563299 Adsorption of ion 2 on left wall = -5.17914041 Adsorption of ion 2 on right wall = 6.70191743 ------------------------------------------------------------------------ net charge in left DL = -11.7873564 11.805057 net charge in right DL = 11.8175504 -11.805057 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.559778401 Relative adsorption of ion 1 on right wall = -0.433342506 Relative adsorption of ion 2 on left wall = -0.438722184 Relative adsorption of ion 2 on right wall = 0.567715803 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1355------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00884183994 Right electrode charge = -0.00884183994 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00272 Bulk concentration of Na = 1.00263 ________________________________________________________________________ Average electrode charge 1 = 0.00788377049 Average electrode charge 2 = -0.00788377049 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394894 -0.559757 -0.565098 ________________________________________________________________________ Electrode charge exchange: 0.0638844806 Move Jump Cl: 0.93421 0.36882 Na: 0.93406 0.36895 ________________________________________________________________________ Create NaCl : 1490769. / 4065399. = 0.36670 Destroy NaCl : 1490771. / 4065951. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.07209375 Potential at right wall /kT = -1.07670621 ------------------------------------------------------------------------ Potential at left wall /mV = 27.7145231 Potential at right wall /mV = -27.8337591 ________________________________________________________________________ Capacitance of left DL = 0.0574249384 Capacitance of right DL = 0.0571789378 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.0821652 Capacitance of right DL [F/m2] = 35.9275941 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60606704 Adsorption of ion 1 on right wall = -5.1131754 Adsorption of ion 2 on left wall = -5.18436793 Adsorption of ion 2 on right wall = 6.70469542 ------------------------------------------------------------------------ net charge in left DL = -11.790435 13.2650137 net charge in right DL = 11.8178708 -13.2650137 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.498006799 Relative adsorption of ion 1 on right wall = -0.385463257 Relative adsorption of ion 2 on left wall = -0.390830197 Relative adsorption of ion 2 on right wall = 0.505442026 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1360------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00644299032 Right electrode charge = -0.00644299032 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 303 -1.00 3.0000 1.5000 Na ion: 303 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00270 Bulk concentration of Na = 1.00260 ________________________________________________________________________ Average electrode charge 1 = 0.00788428218 Average electrode charge 2 = -0.00788428218 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394844 -0.559757 -0.565049 ________________________________________________________________________ Electrode charge exchange: 0.0638841308 Move Jump Cl: 0.93421 0.36883 Na: 0.93405 0.36898 ________________________________________________________________________ Create NaCl : 1496350. / 4080349. = 0.36672 Destroy NaCl : 1496347. / 4080918. = 0.36667 ________________________________________________________________________ Potential at left wall /kT = 1.07129965 Potential at right wall /kT = -1.07532338 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6939951 Potential at right wall /mV = -27.7980119 ________________________________________________________________________ Capacitance of left DL = 0.0418761906 Capacitance of right DL = 0.0417194949 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.1089109 Capacitance of right DL [F/m2] = 35.9737957 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.60885208 Adsorption of ion 1 on right wall = -5.11544976 Adsorption of ion 2 on left wall = -5.17970091 Adsorption of ion 2 on right wall = 6.70453426 ------------------------------------------------------------------------ net charge in left DL = -11.788553 9.66612783 net charge in right DL = 11.819984 -9.66612783 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.683712464 Relative adsorption of ion 1 on right wall = -0.529213957 Relative adsorption of ion 2 on left wall = -0.535860998 Relative adsorption of ion 2 on right wall = 0.693611173 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1365------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00965811589 Right electrode charge = -0.00965811589 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 289 -1.00 3.0000 1.5000 Na ion: 289 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00264 Bulk concentration of Na = 1.00255 ________________________________________________________________________ Average electrode charge 1 = 0.00788483985 Average electrode charge 2 = -0.00788483985 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394742 -0.559757 -0.564947 ________________________________________________________________________ Electrode charge exchange: 0.0638847749 Move Jump Cl: 0.93420 0.36882 Na: 0.93407 0.36898 ________________________________________________________________________ Create NaCl : 1501921. / 4095328. = 0.36674 Destroy NaCl : 1501932. / 4095989. = 0.36668 ________________________________________________________________________ Potential at left wall /kT = 1.0669864 Potential at right wall /kT = -1.071145 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5824937 Potential at right wall /mV = -27.6899971 ________________________________________________________________________ Capacitance of left DL = 0.063026644 Capacitance of right DL = 0.06278195 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.25488 Capacitance of right DL [F/m2] = 36.1141244 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62058753 Adsorption of ion 1 on right wall = -5.11694275 Adsorption of ion 2 on left wall = -5.16822175 Adsorption of ion 2 on right wall = 6.69820926 ------------------------------------------------------------------------ net charge in left DL = -11.7888093 14.4896357 net charge in right DL = 11.815152 -14.4896357 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.456918838 Relative adsorption of ion 1 on right wall = -0.353145023 Relative adsorption of ion 2 on left wall = -0.356684036 Relative adsorption of ion 2 on right wall = 0.46227589 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1370------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00918426919 Right electrode charge = -0.00918426919 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00259 Bulk concentration of Na = 1.00249 ________________________________________________________________________ Average electrode charge 1 = 0.00788298908 Average electrode charge 2 = -0.00788298908 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394629 -0.559757 -0.564834 ________________________________________________________________________ Electrode charge exchange: 0.0638834795 Move Jump Cl: 0.93419 0.36883 Na: 0.93408 0.36900 ________________________________________________________________________ Create NaCl : 1507384. / 4110333. = 0.36673 Destroy NaCl : 1507410. / 4110876. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.06544396 Potential at right wall /kT = -1.06915252 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5426204 Potential at right wall /mV = -27.6384898 ________________________________________________________________________ Capacitance of left DL = 0.0600211962 Capacitance of right DL = 0.0598130013 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.307366 Capacitance of right DL [F/m2] = 36.181427 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61834042 Adsorption of ion 1 on right wall = -5.10281475 Adsorption of ion 2 on left wall = -5.16585878 Adsorption of ion 2 on right wall = 6.70912899 ------------------------------------------------------------------------ net charge in left DL = -11.7841992 13.7787449 net charge in right DL = 11.8119437 -13.7787449 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.480329701 Relative adsorption of ion 1 on right wall = -0.370339591 Relative adsorption of ion 2 on left wall = -0.374915046 Relative adsorption of ion 2 on right wall = 0.486918732 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1375------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00762876043 Right electrode charge = -0.00762876043 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 274 -1.00 3.0000 1.5000 Na ion: 274 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00257 Bulk concentration of Na = 1.00246 ________________________________________________________________________ Average electrode charge 1 = 0.00788410023 Average electrode charge 2 = -0.00788410023 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394580 -0.559757 -0.564785 ________________________________________________________________________ Electrode charge exchange: 0.0638860487 Move Jump Cl: 0.93420 0.36884 Na: 0.93408 0.36901 ________________________________________________________________________ Create NaCl : 1512962. / 4125327. = 0.36675 Destroy NaCl : 1512988. / 4126027. = 0.36669 ________________________________________________________________________ Potential at left wall /kT = 1.06596697 Potential at right wall /kT = -1.06949823 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5561408 Potential at right wall /mV = -27.6474267 ________________________________________________________________________ Capacitance of left DL = 0.0498311467 Capacitance of right DL = 0.0496666148 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2895518 Capacitance of right DL [F/m2] = 36.1697315 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.61807632 Adsorption of ion 1 on right wall = -5.10409513 Adsorption of ion 2 on left wall = -5.16563156 Adsorption of ion 2 on right wall = 6.71228523 ------------------------------------------------------------------------ net charge in left DL = -11.7837079 11.4450853 net charge in right DL = 11.8163804 -11.4450853 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.578246136 Relative adsorption of ion 1 on right wall = -0.445963924 Relative adsorption of ion 2 on left wall = -0.451340592 Relative adsorption of ion 2 on right wall = 0.586477521 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1380------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00902783925 Right electrode charge = -0.00902783925 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 310 -1.00 3.0000 1.5000 Na ion: 310 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00259 Bulk concentration of Na = 1.00249 ________________________________________________________________________ Average electrode charge 1 = 0.00788310735 Average electrode charge 2 = -0.00788310735 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394631 -0.559757 -0.564835 ________________________________________________________________________ Electrode charge exchange: 0.0638860764 Move Jump Cl: 0.93418 0.36882 Na: 0.93408 0.36899 ________________________________________________________________________ Create NaCl : 1518272. / 4140401. = 0.36670 Destroy NaCl : 1518262. / 4140793. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06829517 Potential at right wall /kT = -1.07150575 ------------------------------------------------------------------------ Potential at left wall /mV = 27.6163266 Potential at right wall /mV = -27.699323 ________________________________________________________________________ Capacitance of left DL = 0.0588414283 Capacitance of right DL = 0.0586651198 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.210464 Capacitance of right DL [F/m2] = 36.1019654 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.62815809 Adsorption of ion 1 on right wall = -5.09659771 Adsorption of ion 2 on left wall = -5.15771688 Adsorption of ion 2 on right wall = 6.71795643 ------------------------------------------------------------------------ net charge in left DL = -11.785875 13.5440601 net charge in right DL = 11.8145541 -13.5440601 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.489377486 Relative adsorption of ion 1 on right wall = -0.376297629 Relative adsorption of ion 2 on left wall = -0.380810247 Relative adsorption of ion 2 on right wall = 0.496007577 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1385------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00796040626 Right electrode charge = -0.00796040626 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 298 -1.00 3.0000 1.5000 Na ion: 298 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00267 Bulk concentration of Na = 1.00256 ________________________________________________________________________ Average electrode charge 1 = 0.0078839233 Average electrode charge 2 = -0.0078839233 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394776 -0.559757 -0.564981 ________________________________________________________________________ Electrode charge exchange: 0.0638807047 Move Jump Cl: 0.93420 0.36883 Na: 0.93409 0.36900 ________________________________________________________________________ Create NaCl : 1523756. / 4155367. = 0.36670 Destroy NaCl : 1523758. / 4155754. = 0.36666 ________________________________________________________________________ Potential at left wall /kT = 1.06569055 Potential at right wall /kT = -1.06903981 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5489951 Potential at right wall /mV = -27.6355761 ________________________________________________________________________ Capacitance of left DL = 0.0520109479 Capacitance of right DL = 0.051848 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2989646 Capacitance of right DL [F/m2] = 36.1852417 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63182517 Adsorption of ion 1 on right wall = -5.10650901 Adsorption of ion 2 on left wall = -5.15264722 Adsorption of ion 2 on right wall = 6.70808984 ------------------------------------------------------------------------ net charge in left DL = -11.7844724 11.9426385 net charge in right DL = 11.8145988 -11.9426385 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.555306531 Relative adsorption of ion 1 on right wall = -0.427586332 Relative adsorption of ion 2 on left wall = -0.431449651 Relative adsorption of ion 2 on right wall = 0.561692445 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1390------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00604662638 Right electrode charge = -0.00604662638 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00265 Bulk concentration of Na = 1.00255 ________________________________________________________________________ Average electrode charge 1 = 0.00788564727 Average electrode charge 2 = -0.00788564727 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394748 -0.559757 -0.564952 ________________________________________________________________________ Electrode charge exchange: 0.0638763568 Move Jump Cl: 0.93418 0.36883 Na: 0.93409 0.36898 ________________________________________________________________________ Create NaCl : 1529220. / 4170234. = 0.36670 Destroy NaCl : 1529226. / 4170865. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.06753581 Potential at right wall /kT = -1.07033159 ------------------------------------------------------------------------ Potential at left wall /mV = 27.5966965 Potential at right wall /mV = -27.6689699 ________________________________________________________________________ Capacitance of left DL = 0.039438586 Capacitance of right DL = 0.0393355696 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2362212 Capacitance of right DL [F/m2] = 36.1415696 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.63134122 Adsorption of ion 1 on right wall = -5.11066831 Adsorption of ion 2 on left wall = -5.15754881 Adsorption of ion 2 on right wall = 6.70663698 ------------------------------------------------------------------------ net charge in left DL = -11.78889 9.07148089 net charge in right DL = 11.8173053 -9.07148089 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.731009777 Relative adsorption of ion 1 on right wall = -0.56337751 Relative adsorption of ion 2 on left wall = -0.568545409 Relative adsorption of ion 2 on right wall = 0.739310049 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1395------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00440168815 Right electrode charge = -0.00440168815 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 294 -1.00 3.0000 1.5000 Na ion: 294 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00258 Bulk concentration of Na = 1.00247 ________________________________________________________________________ Average electrode charge 1 = 0.00788505077 Average electrode charge 2 = -0.00788505077 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394590 -0.559757 -0.564795 ________________________________________________________________________ Electrode charge exchange: 0.0638779143 Move Jump Cl: 0.93419 0.36884 Na: 0.93408 0.36902 ________________________________________________________________________ Create NaCl : 1534715. / 4185314. = 0.36669 Destroy NaCl : 1534721. / 4185785. = 0.36665 ________________________________________________________________________ Potential at left wall /kT = 1.06716021 Potential at right wall /kT = -1.06984685 ------------------------------------------------------------------------ Potential at left wall /mV = 27.586987 Potential at right wall /mV = -27.6564388 ________________________________________________________________________ Capacitance of left DL = 0.0287197264 Capacitance of right DL = 0.0286476045 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.2489749 Capacitance of right DL [F/m2] = 36.1579452 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.64583924 Adsorption of ion 1 on right wall = -5.11119528 Adsorption of ion 2 on left wall = -5.13968816 Adsorption of ion 2 on right wall = 6.70709738 ------------------------------------------------------------------------ net charge in left DL = -11.7855274 6.60365424 net charge in right DL = 11.8182927 -6.60365424 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 1.00638813 Relative adsorption of ion 1 on right wall = -0.773994988 Relative adsorption of ion 2 on left wall = -0.778309702 Relative adsorption of ion 2 on right wall = 1.01566453 ________________________________________________________________________ ######################################################################## --- Save ----, Iteration: 5 ---- Step: 1400------ ________________________________________________________________________ ------------------------------------------------------------------------ Left electrode charge = 0.00895850109 Right electrode charge = -0.00895850109 ------------------------------------------------------------------------ ------------------------------------------------------------------------ N q [e] d dca Cl ion: 312 -1.00 3.0000 1.5000 Na ion: 312 1.00 3.0000 1.5000 ________________________________________________________________________ Bulk concentration of Cl = 1.00260 Bulk concentration of Na = 1.00250 ________________________________________________________________________ Average electrode charge 1 = 0.00788429517 Average electrode charge 2 = -0.00788429517 ________________________________________________________________________ mu OLD mu NEW Excess OLD excess NEW NaCl: -15.389553 -15.394643 -0.559757 -0.564848 ________________________________________________________________________ Electrode charge exchange: 0.0638819084 Move Jump Cl: 0.93418 0.36880 Na: 0.93409 0.36902 ________________________________________________________________________ Create NaCl : 1540222. / 4200204. = 0.36670 Destroy NaCl : 1540210. / 4200883. = 0.36664 ________________________________________________________________________ Potential at left wall /kT = 1.06469046 Potential at right wall /kT = -1.06711036 ------------------------------------------------------------------------ Potential at left wall /mV = 27.523142 Potential at right wall /mV = -27.5856984 ________________________________________________________________________ Capacitance of left DL = 0.058587186 Capacitance of right DL = 0.0584543272 ------------------------------------------------------------------------ Capacitance of left DL [F/m2] = 36.3330611 Capacitance of right DL [F/m2] = 36.2506682 ________________________________________________________________________ Adsorption of ion 1 on left wall = 6.65052291 Adsorption of ion 1 on right wall = -5.11753882 Adsorption of ion 2 on left wall = -5.13351043 Adsorption of ion 2 on right wall = 6.69616106 ------------------------------------------------------------------------ net charge in left DL = -11.7840333 13.4400352 net charge in right DL = 11.8136999 -13.4400352 ------------------------------------------------------------------------ Relative adsorption of ion 1 on left wall = 0.494829278 Relative adsorption of ion 1 on right wall = -0.38076826 Relative adsorption of ion 2 on left wall = -0.381956621 Relative adsorption of ion 2 on right wall = 0.498224964 ________________________________________________________________________ #########