TITLE React K-feldsparSOLUTION 1 PURE WATER pH 7.0 charge temp 25.0PHASES Gibbsite Al(OH)3 + 3 H+ = Al+3 + 3 H2O log_k 8.049 delta_h -22.792 kcal Kaolinite Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3 log_k 5.708 delta_h -35.306 kcal K-mica KAl3Si3O10(OH)2 + 10 H+ = 3 Al+3 + 3 H4SiO4 + K+ log_k 12.970 delta_h -59.377 kcal K-feldspar KAlSi3O8 + 4 H2O + 4 H+ = Al+3 + 3 H4SiO4 + K+ log_k 0.875 delta_h -12.467 kcalENDINCREMENTAL_REACTIONSREACTIONK-feldspar 120*1e-8 20*1e-7 20*1e-6 20*1e-5 20*1e-4 20*1e-3 20*1e-2 USE solution 1EQUILIBRIUM_PHASES 1 Gibbsite 0.0 0.0 Kaolinite 0.0 0.0 K-mica 0.0 0.0 K-feldspar 0.0 0.0USER_GRAPH 1 Simulation 6 -headings Log(K/H) Gibbsite Kaolinite K-mica K-feldspar -axis_titles "Feldspar reacted, moles" "Log([K+] / [H+])" "Mineral, moles" -chart_title "K-Feldspar Reaction Path" -axis_scale sy_axis auto auto auto auto log -initial_solutions false -connect_simulations false -plot_concentration_vs x -start 5 PUT(GET(1) + RXN, 1) 10 PLOT_XY log10(GET(1)),(LA("K+")-LA("H+")), color = Red, line_w = 0, \ symbol = Circle, symbol_size = 10 20 PLOT_XY log10(GET(1)), EQUI("Gibbsite") color = Green, line_w = 0, \ symbol = Plus, symbol_size = 5, y_axis = 2 30 PLOT_XY log10(GET(1)), EQUI("Kaolinite") color = Blue, line_w = 0, \ symbol = Plus, symbol_size = 5, y_axis = 2 40 PLOT_XY log10(GET(1)), EQUI("K-mica") color = Cyan, line_w = 0, \ symbol = Plus, symbol_size = 5, y_axis = 2 50 PLOT_XY log10(GET(1)), EQUI("K-feldspar") color = Magenta, line_w = 0, \ symbol = Plus, symbol_size = 5, y_axis = 2 -end -active trueEND

PHASESGibbsite Al(OH)3 + 3H+ = Al+3 + 3H2O log_k 8.049 delta_h -22.792 kcalKaolinite Al2Si2O5(OH)4 + 6H+ = 2Al+3 + H2O + 2H4SiO4 log_k 5.708 delta_h -35.306 kcalK-mica KAl3Si3O10(OH)2 + 10H+ = 3Al+3 + 3H4SiO4 + K+ log_k 12.97 delta_h -59.377 kcalK-feldspar KAlSi3O8 + 4H+ + 4H2O = Al+3 + 3H4SiO4 + K+ log_k 0.875 delta_h -12.467 kcalENDTITLE Simulation 6A.--React to phase boundaries.SOLUTION 1 PURE WATER temp 25 pH 7 charge pe 4 redox pe units mmol/kgw density 1 -water 1 # kgSELECTED_OUTPUT 100-file increments.pqiUSER_PUNCH 10010 low = -820 up = -330 steps = 20035 size = (up -low)/steps 40 FOR i = low TO up STEP size50 PUNCH 10^i, EOL$60 NEXT iENDSELECTED_OUTPUT 100-active falseENDREACTION 1 K-feldspar 1INCLUDE$ increments.pqi USE solution 1EQUILIBRIUM_PHASES 1 Gibbsite 0 0 K-feldspar 0 0 K-mica 0 0 Kaolinite 0 0USER_GRAPH 1 Simulation 6 -headings Log(K+/H+) Gibbsite Kaolinite K-mica K-feldspar -axis_titles "Feldspar reacted, moles" "Log([K+] / [H+])" "Mineral, moles" -chart_title "K-Feldspar Reaction Path" -axis_scale x_axis -8 -3 auto auto -axis_scale sy_axis 1e-9 0.001 auto auto log -initial_solutions false -connect_simulations false -plot_concentration_vs x -start#5 PUT(GET(1) + RXN, 1) 10 PUT(RXN, 1) 20 PLOT_XY LOG10(GET(1)), (LA("K+")-LA("H+")), color = red, line_w = 2, symbol = circle, symbol_size = 0 30 IF EQUI("Gibbsite") > 0 THEN y = EQUI("Gibbsite") ELSE y = 1e-12 40 PLOT_XY LOG10(GET(1)), y, color = green, line_w = 2, symbol = plus, symbol_size = 0, y_axis = 2 50 IF EQUI("Kaolinite") > 0 THEN y = EQUI("Kaolinite") ELSE y = 1e-12 60 PLOT_XY LOG10(GET(1)), y, color = blue, line_w = 2, symbol = plus, symbol_size = 0, y_axis = 2 70 IF EQUI("K-mica") > 0 THEN y = EQUI("K-mica") ELSE y = 1e-12 80 PLOT_XY LOG10(GET(1)), y, color = cyan, line_w = 2, symbol = plus, symbol_size = 0, y_axis = 2 90 IF EQUI("K-feldspar") > 0 THEN y = EQUI("K-feldspar") ELSE y = 1e-12100 PLOT_XY LOG10(GET(1)), y, color = magenta, line_w = 2, symbol = plus, symbol_size = 0, y_axis = 2 -end -active trueEND

PHASESSulfur S + H+ + 2e- = HS- log_k -2.11 delta_h -4.2 kcalMackinawite FeS + H+ = Fe+2 + HS- log_k -2.137Greigite Fe3S4 = 3Mackinawite(s) + Sulfur(s) log_k -6.475Pyrite FeS2 = 0.3333333333Greigite(s) + 0.6666666666Sulfur(s) log_k -31.1184END

Fe3S4 = 3Mackinawite(s) + Sulfur(s)

Mackinawite(s) + H+ = Fe+2 + HS- Sulfur(s) + H+ + 2e- = HS-

SOLUTION_SPECIES#S5-2 505 HS- = S5-2 + H+ # (lhs) +4S log_k -9.595 delta_h 9.3 kcal -no_check -mass_balance S(-2)5 -gamma 12.0 0.0#S6-2 506 HS- = S6-2 + H+ # (lhs) +5S log_k -9.881 -no_check -mass_balance S(-2)6 -gamma 14.0 0.0

S-2 + 5Sulfur = S6-2 log_k -9.881

S + 2e- = S-2 log_k -15.026 delta_h 7.9 kcal

N2(g) N2 = N2 log_k -3.1864 NO2(g) NO2 = 0.5N2 + O2 log_k 8.9857 delta_h -7.91421 kcal