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PHASESPhlogopite KMg3(AlSi3)O10(OH)2 + 10 H+ = 1 Al+3 + 1 K+ + 3 Mg+2 + 3 H4SiO4 log_k 41.082 -delta_H -360.123 kJ/mol # References :92cir/nav -analytic -1.7201279e+03 -2.6579576e-01 1.0718208e+05 6.1999929e+02 -4.7275095e+06Plagioclase Na0.62Ca0.38Al1.38Si2.62O8 + 8H2O = 0.62Na+ + 0.38Ca+2 + 1.38Al(OH)4- + 2.62H4SiO4 -log_k -18.65256 -delta_h 20.45592 kcal -Vm 103.6288Organic_matter CH2O + H2O = 4 e- + 4 H + + CO2 -log_K = 4.8ENDEXCHANGE_SPECIES X- + K+ = KX; log_k 0.7 2X- + Ca+2 = CaX2; log_k 0.8 Na+ + X- = NaX; log_k 0 Fe+2 + 2X- = FeX2; log_k -20TITLE Northern evolution with new conceptual modelSOLUTION 0 temp 25 pH 3.749 redox O(0)/O(-2) units mol/kgw density 1 O(0) 1.0 O2(g) -0.7 C(4) 1.147e-03 Ca 1.504e-03 charge Cl 1.321e-03 K 1.559e-04 Mg 1.081e-04 Na 1.692e-04 S(6) 1.216e-03ENDSOLUTION 0-3ENDEQUILIBRIUM_PHASES 1 #Pyrite 0 #2.166e-09 #Fe(OH)3(a) 0 0 K-feldspar 0 1 dis #Albite 0 8.017e-04 Plagioclase 0 10 Phlogopite 0 #1.669e-04 CO2(g) -2.0 O2(g) -0.7 Calcite 0 0 Ca-Montmorillonite 0 1e-8 #Kaolinite 0 0 Quartz 0 0ENDUSE solution 1USE equilibrium_phases 1SAVE solution 1ENDEXCHANGE 1 CaX2 Ca-Montmorillonite equilibrium_phase 0.165END TRANSPORT-cells 1-shifts 10USER_GRAPH 1 -headings step CaX2 MgX2 NaX KX -axis_scale y_axis auto auto auto auto log -initial_solutions false -connect_simulations true -plot_concentration_vs x -start10 GRAPH_X STEP_NO20 GRAPH_Y MOL("CaX2"), MOL("MgX2"), MOL("NaX"), MOL("KX"), -end -active trueUSER_GRAPH 2 -headings step Ca Mg Na K -axis_scale y_axis auto auto auto auto log -initial_solutions false -connect_simulations true -plot_concentration_vs x -start10 GRAPH_X STEP_NO20 GRAPH_Y MOL("Ca+2"), MOL("Mg+2"), MOL("Na+"), MOL("K+"), -end -active true

EXCHANGE 1 equilibrate 1 X 0.015

USE Solution 3EXCHANGE 1 ## ----- Ion exchange reaction equilibrate 1 X 0.015 ## Exchange capacity estimated (currently, there is no value from literature) SAVE Solution 4END

USE Solution 5EXCHANGE 2 equilibrate 2 X 0.015 #working 0.015SAVE Solution 6END

USE Solution 3EXCHANGE 1 ## ----- Ion exchange reaction equilibrate 3 # equilibrate solution 3 with the exchanger X 0.00009 ## Exchange capacity estimated SAVE Solution 4END

[b]END[/b]#USE Solution 3EXCHANGE 1 ## ----- Ion exchange reaction equilibrate 3 # equilibrate solution 3 with the exchanger X 0.00009 ## Exchange capacity estimated SAVE Solution 4END

USE solution 3EXCHANGE 1 equilibrate 1 X 0.00009 SAVE solution 4

100 PUNCH frac_Ca, frac_Na, frac_Mg, frac_K, frac_Fe

Surface 1. Diffuse Double Layer Surface-Complexation ModelHfo 5.469e-04 Surface charge, eq 8.796e-02 sigma, C/m² 1.385e-01 psi, V -5.389e+00 -F*psi/RT 4.566e-03 exp(-F*psi/RT) 6.000e+02 specific area, m²/g 6.000e+02 m² for 1.000e+00 gHfo_s 6.000e-01 moles Mole Log Species Moles Fraction Molality Molality Hfo_sO- 2.509e-01 0.418 2.509e-01 -0.600 Hfo_sOFe+ 2.506e-01 0.418 2.506e-01 -0.601 Hfo_sOH 9.752e-02 0.163 9.752e-02 -1.011 Hfo_sOH2+ 8.682e-04 0.001 8.682e-04 -3.061 Hfo_sOHCa+2 1.265e-04 0.000 1.265e-04 -3.898Hfo_w 3.000e-04 moles Mole Log Species Moles Fraction Molality Molality Hfo_wO- 2.060e-04 0.687 2.060e-04 -3.686 Hfo_wOH 8.004e-05 0.267 8.004e-05 -4.097 Hfo_wOFeOH 1.131e-05 0.038 1.131e-05 -4.947 Hfo_wOFe+ 1.919e-06 0.006 1.919e-06 -5.717 Hfo_wOH2+ 7.126e-07 0.002 7.126e-07 -6.147 Hfo_wOMg+ 6.159e-08 0.000 6.159e-08 -7.210 Hfo_wOCa+ 3.441e-09 0.000 3.441e-09 -8.463