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SOLUTION 1SELECTED_OUTPUT 100-file mg2mol.pqiUSER_PUNCH 10010 s$ = "REACTION 1" + EOL$20 s$ = s$ + " Na2SO4 " + STR_F$(2000*1e-3 / GFW("Na2SO4"), 15, 10) + EOL$30 s$ = s$ + " KCl " + STR_F$(500*1e-3 / GFW("KCl"), 15, 10) + EOL$40 s$ = s$ + " CaCO3 " + STR_F$(5.7*1e-3 / GFW("CaCO3"), 15, 10) + EOL$50 s$ = s$ + "1 mole" + EOL$60 PUNCH s$ENDSELECTED_OUTPUT 100-active falseENDUSE solution 1INCLUDE$ mg2mol.pqiSAVE solution 2ENDUSE solution 2EQUILIBRIUM_PHASESCO2(g) -1.4 10 # -1.4 = log10(0.04 atm)SAVE solution 3END

SOLUTION 1#temp 220#pressure 130pH 6.8

SOLUTION 1-pressure 130-temp 220pH 6.8 charge-water 0.849SELECTED_OUTPUT 100-file mg2mol.pqiUSER_PUNCH 10010 s$ = "REACTION 1" + EOL$20 s$ = s$ + " Na2SO4 " + STR_F$(2000*1e-3 / GFW("Na2SO4"), 15, 10) + EOL$30 s$ = s$ + " KCl " + STR_F$(500*1e-3 / GFW("KCl"), 15, 10) + EOL$40 s$ = s$ + " CaCO3 " + STR_F$(5.7*1e-3 / GFW("CaCO3"), 15, 10) + EOL$50 s$ = s$ + "1 mole" + EOL$60 PUNCH s$ENDSELECTED_OUTPUT 100-active falseENDUSE solution 1INCLUDE$ mg2mol.pqiSAVE solution 2ENDMIX2 0.310SAVE solution 3ENDUSE solution 3EQUILIBRIUM_PHASESCO2(g) -1.4 10 # -1.4 = log10(0.04 atm)Calcite 0 10Dolomite 0 10SAVE solution 4END

ERROR: Unknown input in SOLUTION keywordERROR: - pressure 130ERROR: Can't open file, mg2mol.pqiERROR: Calculations terminating due to input errors.

RATES#########Calcite######### Example of KINETICS data block for calcite rate,# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257.# KINETICS 1# Calcite# -tol 1e-8# -m0 3.e-3# -m 3.e-3# -parms 1.67e5 0.6 # cm^2/mol calcite, exp factor# -time 1 dayCalcite -start1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite2 REM PARM(2) = exponent for M/M010 si_cc = SI("Calcite")20 IF (M <= 0 and si_cc < 0) THEN GOTO 20030 k1 = 10^(0.198 - 444.0 / TK )40 k2 = 10^(2.84 - 2177.0 /TK )50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))120 rate = rate * (1 - 10^(2/3*si_cc))130 moles = rate * 0.001 * TIME # convert from mmol to mol200 SAVE moles -endSOLUTION 1C 1 CO2(g) -2 ENDINCREMENTAL_REACTIONSUSE solution 1KINETICSCalcite -m 0.1 -parms 1e4 0.8 # cm^2/mol calcite, exp factor -time 7200 in 10 stepsUSER_GRAPH 1 -headings Time SI(Calcite) -axis_titles "Hours" "SI(Calcite)" "" -initial_solutions false -connect_simulations true -plot_concentration_vs x -start10 GRAPH_X TOTAL_TIME / 360020 GRAPH_Y SI("Calcite") -end -active true