TITLE project1PHASESFix_H+ H+ = H+ log_k 0NaCl NaCl = Cl- + Na+ log_k -20ENDTITLE project1SURFACE_MASTER_SPECIES Limsurf_a Limsurf_aOH Limsurf_c Limsurf_cH SURFACE_SPECIESLimsurf_aOH = Limsurf_aOH log_k 0Limsurf_aOH = Limsurf_aO- + H+ log_k -12Limsurf_aOH + CO3-2 + H+ = Limsurf_aHCO3 + OH- log_k 8.15Limsurf_aOH + CO3-2 = Limsurf_aCO3- + OH- log_k 1.55Limsurf_aOH + SO4-2 = Limsurf_aSO4- + OH- log_k -0.1Limsurf_cH = Limsurf_cH log_k 0Limsurf_cH = Limsurf_c- + H+ log_k -5.1Limsurf_cH + Ca+2 = Limsurf_cCa+ + H+ log_k -1.7Limsurf_cH + Mg+2 = Limsurf_cMg+ + H+ log_k -2ENDSOLUTION 1 SW temp 25 pH 7.6 redox pe units ppm density 1 Alkalinity 48 as HCO3- C(4) 0 as CO3- Ca 493 as Ca+ Cl 23285 K 434 Mg 1637 Na 12694 S(6) 3025 as SO4-2 -water 1 # kgENDSURFACE 1 -equilibrate with solution 1 Limsurf_a 2.5 0.11 0.2 Limsurf_c 2.5 -donnan 1e-9 only_counter_ions falseENDEQUILIBRIUM_PHASES 1 Calcite 0 1e-3ENDUSE solution 1USE equilibrium_phases 1USE surface 1SAVE solution 1SELECTED_OUTPUT -file sw3V1.sel -reset falseUSER_PUNCH -start 10 FOR i = 6.5 to 11 STEP 0.5 20 a$ = EOL$ + "USE solution 1" + CHR$(59) + " USE surface 1" + EOL$ 30 a$ = a$ + "EQUILIBRIUM_PHASES 2" + EOL$ 40 a$ = a$ + " Fix_H+ " + STR$(-i) + " HCl 10" + EOL$ 45 a$ = a$ + " -force" + EOL$ 47 a$ = a$ + " NaCl 0 10" + EOL$ 50 a$ = a$ + "END" + EOL$ 60 PUNCH a$ 70 NEXT iENDSELECTED_OUTPUT -file sw3V1-zp.sel -reset true -molalities Limsurf_cCa+ Limsurf_cMg+ Limsurf_c- Limsurf_cH Limsurf_aOH Limsurf_aHCO3 Limsurf_aCO3- Limsurf_aSO4-USER_PUNCH -start10 PUNCH EDL("Psi","Limsurf") -endUSER_GRAPH 1 sw-sp -headings pH Limsurf_cCa+ Limsurf_cMg+ Limsurf_c- Limsurf_cH Limsurf_aOH Limsurf_aHCO3 Limsurf_aCO3- Limsurf_aSO4- -axis_titles pH "moles per kg water" -chart_title "surface species" -axis_scale x_axis 5 12 1 1 -axis_scale y_axis 1e-7 1e+1 1 1 log -start10 GRAPH_X -LA("H+")20 GRAPH_Y MOL("Limsurf_cCa+"), MOL("Limsurf_cMg+"), MOL("Limsurf_c-"), MOL("Limsurf_cH"), MOL("Limsurf_aOH"), MOL("Limsurf_aHCO3"), MOL("Limsurf_aCO3-"), , MOL("Limsurf_aSO4-") -endUSER_GRAPH 2 sw-zp -headings pH zp -axis_titles pH "zeta potential mV" -axis_scale x_axis 5 12 1 1 -axis_scale y_axis -40 10 5 5 -initial_solutions false -connect_simulations true -plot_concentration_vs x -start10 GRAPH_X -LA("H+")20 GRAPH_Y EDL("Psi","Limsurf")*1e3 -endINCLUDE$ sw3V1.selEND