DATABASE ../databases/pitzer.datSELECTED_OUTPUT -reset false -totals C -saturation_indices CO2(g) -file tTP.txt USER_PUNCH -headings PRESSURE PHICO2 lPCO2 10 PUNCH PRESSURE 20 PUNCH PR_PHI("CO2(g)") 30 PUNCH log10(PR_P("CO2(g)"))ENDSOLUTION_SPREAD-units mol/kgwNUMBER pH temp Alkalinity C Ca Cl Na pressure charge 1 3.95 60 1.75e-02 0.772 0.38 3.14 2.4 600 ENDUSE SOLUTION 1 GAS_PHASE 1 -fixed_volume -pressure 600 -temperature 60 -volume 0.00000001 CO2(g)ENDUSE SOLUTION 1 EQUILIBRIUM_PHASES 1 CO2(g) 2.695425805END
C si_CO2(g) PRESSURE PHICO2 lPCO27.7200e-01 2.1922 6.0000e+02 1.0000e+00 -inf7.7200e-01 1.9939 2.4509e+02 4.0232e-01 2.3893e+007.7200e-01 2.1922 6.0000e+02 3.1389e-01 2.6954e+00
SELECTED_OUTPUT -reset false -totals C -saturation_indices CO2(g) -file tTP.txt USER_PUNCH -headings PRESSURE PHICO2 lPCO2 10 PUNCH PRESSURE 20 PUNCH PR_PHI("CO2(g)") 30 PUNCH log10(PR_P("CO2(g)"))ENDSOLUTION_SPREAD-units mol/kgwNUMBER pH temp Alkalinity C Ca Cl Na pressure charge 1 3.95 60 1.75e-02 0.772 0.38 3.14 2.4 600 ENDUSE SOLUTION 1GAS_PHASE 1 -fixed_volume -pressure 600 -temperature 60 -volume 0.00000001 CO2(g) 0SAVE solution 1ENDUSE SOLUTION 1 EQUILIBRIUM_PHASES 1 CO2(g) 2.39 END
DATABASE ../databases/pitzer.datSELECTED_OUTPUT -reset false -totals C -saturation_indices CO2(g) -pH true -file tTP2.txt USER_PUNCH -headings PRESSURE PHICO2 lPCO2 10 PUNCH PRESSURE 20 PUNCH PR_PHI("CO2(g)") 30 PUNCH log10(PR_P("CO2(g)"))ENDSOLUTION_SPREAD-units mol/kgwNUMBER pH temp Alkalinity C Ca Cl Na pressure charge 1 3.95 60 1.75e-02 0.772 0.38 3.14 2.4 600 END#l2):USE SOLUTION 1 GAS_PHASE 1 -fixed_volume -pressure 600 -temperature 60 -volume 0.00000001 CO2(g) 0END#l3):USE SOLUTION 1 EQUILIBRIUM_PHASES 1 CO2(g) 2.389323232305 10END#l4):USE SOLUTION 1 REACTION_TEMPERATURE 60 REACTION_PRESSURE 2.450886684349675e2END#l5):USE SOLUTION 1 REACTION_TEMPERATURE 60 REACTION_PRESSURE 600 EQUILIBRIUM_PHASES 1 CO2(g) 2.695425805END#l6):USE SOLUTION 1 REACTION_TEMPERATURE 60 REACTION_PRESSURE 600 EQUILIBRIUM_PHASES 1 CO2(g) 2.695425805 Mtg(g) 2.017299704488154 SAVE SOLUTION 2END#l7):USE SOLUTION 1 GAS_PHASE 1 -fixed_pressure -pressure 600 -temperature 60 -volume 5 CO2(g) 0.826560323782619 Mtg(g) 0.173439676217381END#l8):USE SOLUTION 2 REACTION_TEMPERATURE 60 REACTION_PRESSURE 600 GAS_PHASE 1 -fixed_volume -pressure 600 -temperature 60 -volume 0.000000001 CO2(g) 0 Mtg(g) 0END
pH C si_CO2(g) PRESSURE PHICO2 lPCO2 4.01083 7.7200e-01 2.1922 6.0000e+02 1.0000e+00 -inf 4.1205 7.7200e-01 1.9939 2.4509e+02 4.0232e-01 2.3893e+00 4.20408 4.8262e-01 1.9939 6.0000e+02 4.0232e-01 2.3893e+00 4.1205 7.7200e-01 1.9939 2.4509e+02 1.0000e+00 -inf 4.01083 7.7200e-01 2.1922 6.0000e+02 3.1389e-01 2.6954e+00 4.01114 7.7200e-01 2.1922 6.0000e+02 3.1389e-01 2.6954e+00 3.97867 8.3748e-01 2.2257 6.0000e+02 3.0760e-01 2.7377e+00 4.01114 7.7200e-01 2.1922 6.0000e+02 9.8437e-01 4.1150e-01
SELECTED_OUTPUT -reset false -totals C -saturation_indices CO2(g) -file tTP.txt USER_PUNCH -headings PRESSURE PHICO2 lPCO2 10 PUNCH PRESSURE 20 PUNCH PR_PHI("CO2(g)") 30 PUNCH log10(PR_P("CO2(g)"))ENDSOLUTION_SPREAD-units mol/kgwNUMBER pH temp Alkalinity C Ca Cl Na pressure charge 1 3.95 60 1.75e-02 0.772 0.38 3.14 2.4 600 ENDUSE SOLUTION 1GAS_PHASE 1 -fixed_volume -pressure 600 -temperature 60 -volume 0.00000001 CO2(g) 0 Mtg(g) 0KNOBS-iter 400USE SOLUTION 1EQUILIBRIUM_PHASESCalcite 0 10REACTIONMtg(g) 10.05 in 10 stepsUSER_GRAPH 1 -headings Mtg_added Pressure_atm -axis_titles "Mtg added, moles" "Pressure, atm" "" -initial_solutions false -connect_simulations true -plot_concentration_vs x -start10 graph_x rxn20 graph_y pressure -end -active trueEND