SOLUTION_MASTER_SPECIESI I- 0 I 126.9Cat Cat+2 0 Cat 40SOLUTION_SPECIESCat+2 = Cat+2;log_k 0;-gamma 1e10 0;-dw 0.73e-9I- = I-;log_k 0;-gamma 1e10 0;-dw 2.0e-9SURFACE_MASTER_SPECIESSu Su-SURFACE_SPECIESSu- = Su-; log_k 0SOLUTION 1-20 units mol/lpH 7.00Cat 1e-6;I 2e-6-water 1 SOLUTION 21-40 # Opalinus Clay porewater...units mol/l-water 1ENDSURFACE 21-40;-equilibrate 21;Su 3.2 1.592e+06 1-donnan 10E-10-only_counter_ions falseEND#PRINT; -reset falseTRANSPORT-cells 40-lengths 0.025-flow_direction diffusion-boundary_conditions closed closed-shifts 60-punch_frequency 60-time 5e5-multi_d true 2.24e-9 0.16 0.0 1.0USER_GRAPH 1-chart_title "Potential"-axis_titles "Distance/m" "Volt"-headings dist psi_Su psi_DL_Ca psi_DL_I psi_DL_H-plot_concentration_vs x-initial_solutions false-start31 graph_x dist40 graph_y EDL("psi", "Su"), -8.314*298.13*log(EDL("Cat","Su")/mol("Cat+2"))/96485/2, 8.314*298.13*log(EDL("I","Su")/mol("I-"))/96485, -8.314*298.13*log(EDL("H","Su")/mol("H+"))/96485,-endEND

USER_PRINT 20 t = EDL_SPECIES("Su", count, name$, moles, area, thickness) 30 REM determine mass of water in diffuse layer40 for i = 1 to count50 if (name$(i) = "H2O") then mass_h2o = moles(i) * GFW("H2O") / 100060 next i70 graph_y EDL("psi", "Su")100 REM DL psi for each species110 for i = 1 to count120 z = 0130 t$ = species_formula(name$(i), countz, elt$, coef)140 for j = 1 to countz150 if (elt$(j) = "charge") then z = coef(j)160 next j170 if z = 0 then goto 210180 c = moles(i) / mass_h2o190 dl_psi = -8.314*TK*log(c/mol(name$(i))) / 96485 / z200 print pad(name$(i),10), dl_psi210 next i