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Cerussite misspelled in 5 databases.
Modified Calcite RATES to handle M0=0 Added quartz to wateq4f.dat git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@11091 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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David L Parkhurst
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0978f81fe0
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08db4e970f
7
Amm.dat
7
Amm.dat
@ -1241,7 +1241,7 @@ CdSO4 329
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CdSO4 = Cd+2 + SO4-2
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-log_k -0.1
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-delta_h -14.74 kcal
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Cerrusite 365
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Cerussite 365
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PbCO3 = Pb+2 + CO3-2
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-log_k -13.13
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-delta_h 4.86 kcal
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@ -1693,10 +1693,7 @@ Calcite
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40 k2 = 10^(2.84 - 2177.0 /TK )
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50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
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60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
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70 t = 1
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80 IF M0 > 0 THEN t = M/M0
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90 IF t = 0 THEN t = 1
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100 area = PARM(1) * M0 * t^PARM(2)
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80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
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110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
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120 rate = rate * (1 - 10^(2/3*si_cc))
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130 moles = rate * 0.001 * TIME # convert from mmol to mol
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5
llnl.dat
5
llnl.dat
@ -19204,10 +19204,7 @@ Calcite
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40 k2 = 10^(2.84 - 2177.0 /TK )
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50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
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60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
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70 t = 1
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80 IF M0 > 0 THEN t = M/M0
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90 IF t = 0 THEN t = 1
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100 area = PARM(1) * M0 * t^PARM(2)
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80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
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110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
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120 rate = rate * (1 - 10^(2/3*si_cc))
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130 moles = rate * 0.001 * TIME # convert from mmol to mol
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@ -4231,7 +4231,7 @@ Phosgenite
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PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
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log_k -19.81
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delta_h -0 kcal
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Cerrusite
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Cerussite
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PbCO3 = Pb+2 + CO3-2
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log_k -13.13
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delta_h 4.86 kcal
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@ -4331,7 +4331,7 @@ Pb2(OH)3Cl
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Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
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log_k 8.793
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delta_h -0 kcal
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Hydcerrusite
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Hydcerussite
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Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O
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log_k -17.46
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delta_h -0 kcal
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@ -11586,7 +11586,7 @@ CrI3
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CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+
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log_k 20.4767
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delta_h -134.419 kJ
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Cerrusite
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Cerussite
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PbCO3 = Pb+2 + CO3-2
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log_k -13.13
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delta_h 24.79 kJ
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@ -11598,7 +11598,7 @@ Pb3O2CO3
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Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O
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log_k 11.02
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delta_h -110.583 kJ
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Hydrocerrusite
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Hydrocerussite
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Pb3(OH)2(CO3)2 + 2H+ = 3Pb+2 + 2H2O + 2CO3-2
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log_k -18.7705
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delta_h -0 kJ
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@ -1252,7 +1252,7 @@ CdSO4 329
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CdSO4 = Cd+2 + SO4-2
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-log_k -0.1
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-delta_h -14.74 kcal
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Cerrusite 365
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Cerussite 365
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PbCO3 = Pb+2 + CO3-2
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-log_k -13.13
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-delta_h 4.86 kcal
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@ -1705,10 +1705,7 @@ Calcite
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40 k2 = 10^(2.84 - 2177.0 /TK )
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50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
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60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
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70 t = 1
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80 IF M0 > 0 THEN t = M/M0
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90 IF t = 0 THEN t = 1
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100 area = PARM(1) * M0 * t^PARM(2)
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80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
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110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
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120 rate = rate * (1 - 10^(2/3*si_cc))
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130 moles = rate * 0.001 * TIME # convert from mmol to mol
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37
wateq4f.dat
37
wateq4f.dat
@ -2808,7 +2808,7 @@ Phosgenite 364
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PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2
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log_k -19.810
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Cerrusite 365
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Cerussite 365
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PbCO3 = Pb+2 + CO3-2
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log_k -13.13
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delta_h 4.86 kcal
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@ -2934,7 +2934,7 @@ Pb2(OH)3Cl 391
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Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl-
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log_k 8.793
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Hydrocerrusite 392
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Hydrocerussite 392
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Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O
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log_k -17.460
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@ -3722,6 +3722,34 @@ SURFACE_SPECIES
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# log_k 20.62
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RATES
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###########
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#Quartz
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###########
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#
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#######
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# Example of quartz kinetic rates block:
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# KINETICS
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# Quartz
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# -m0 158.8 # 90 % Qu
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# -parms 0.146 1.5
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# -step 3.1536e8 in 10
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# -tol 1e-12
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Quartz
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-start
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1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683
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2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol
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3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259)
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4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz
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5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35
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10 dif_temp = 1/TK - 1/298
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20 pk_w = 13.7 + 4700.4 * dif_temp
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40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz"))
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# Integrate...
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50 SAVE moles * TIME
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-end
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###########
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#K-feldspar
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###########
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@ -3896,10 +3924,7 @@ Calcite
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40 k2 = 10^(2.84 - 2177.0 /TK )
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50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK)
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60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK )
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70 t = 1
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80 IF M0 > 0 THEN t = M/M0
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90 IF t = 0 THEN t = 1
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100 area = PARM(1) * M0 * t^PARM(2)
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80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M
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110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O"))
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120 rate = rate * (1 - 10^(2/3*si_cc))
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130 moles = rate * 0.001 * TIME # convert from mmol to mol
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