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Tony's change to Sr and NH4, SC_Ohm and rate_xmpls, basicsubs.cpp error
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David Parkhurst
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e39a5d3c5e
commit
a4a7ecab5b
4
Amm.dat
4
Amm.dat
@ -112,7 +112,7 @@ Sr+2 = Sr+2
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-gamma 5.26 0.121
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-Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97
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-viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876
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-dw 0.794e-9 160 0.68 0.767 1e-9 0.912
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-dw 0.794e-9 149 0.805 1.961 1e-9 0.7876
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Ba+2 = Ba+2
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-gamma 5 0
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-gamma 4 0.153 # Barite solubility
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@ -159,7 +159,7 @@ AmmH+ = AmmH+
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-gamma 2.5 0
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-Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
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-viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
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-dw 1.98e-9 178 3.747 0 1.22
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-dw 1.98e-9 203 1.47 2.644 6.81e-2
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H3BO3 = H3BO3
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-Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt
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-dw 1.1e-9
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@ -113,7 +113,7 @@ Sr+2 = Sr+2
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-gamma 5.26 0.121
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-Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97
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-viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876
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-dw 0.794e-9 160 0.68 0.767 1e-9 0.912
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-dw 0.794e-9 149 0.805 1.961 1e-9 0.7876
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Ba+2 = Ba+2
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-gamma 5 0
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-gamma 4 0.153 # Barite solubility
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@ -160,7 +160,7 @@ NO3- = NO3-
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# -gamma 2.5 0
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# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
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# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
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# -dw 1.98e-9 178 3.747 0 1.220
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# -dw 1.98e-9 203 1.47 2.644 6.81e-2
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H3BO3 = H3BO3
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-Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt
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-dw 1.1e-9
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@ -307,7 +307,7 @@ NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
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-gamma 2.5 0
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-Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
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-viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
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-dw 1.98e-9 178 3.747 0 1.22
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-dw 1.98e-9 203 1.47 2.644 6.81e-2
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#AmmH+ = Amm + H+
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NH4+ = NH3 + H+
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@ -113,7 +113,7 @@ Sr+2 = Sr+2
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-gamma 5.26 0.121
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-Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97
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-viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876
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-dw 0.794e-9 160 0.68 0.767 1e-9 0.912
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-dw 0.794e-9 149 0.805 1.961 1e-9 0.7876
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Ba+2 = Ba+2
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-gamma 5 0
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-gamma 4 0.153 # Barite solubility
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@ -160,7 +160,7 @@ NO3- = NO3-
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# -gamma 2.5 0
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# -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
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# -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
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# -dw 1.98e-9 178 3.747 0 1.220
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# -dw 1.98e-9 203 1.47 2.644 6.81e-2
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H3BO3 = H3BO3
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-Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt
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-dw 1.1e-9
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@ -307,8 +307,7 @@ NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O
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-gamma 2.5 0
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-Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569
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-viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972
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-dw 1.98e-9 178 3.747 0 1.22
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-dw 1.98e-9 203 1.47 2.644 6.81e-2
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#AmmH+ = Amm + H+
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NH4+ = NH3 + H+
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-log_k -9.252
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@ -2982,7 +2981,7 @@ Wollastonite -6.97 700 56 0.4 0 0
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# EXCHANGE_MASTER_SPECIES
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# X_montm_mg X_montm_mg-0.34
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# EXCHANGE_SPECIES
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# # The Gapon formulation is easiest...
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# # The Gapon formulation is easiest, with constants from Montmorillonite(Mg..) in PHASES
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# X_montm_mg-0.34 = X_montm_mg-0.34
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# 0.34 Na+ + X_montm_mg-0.34 = Na0.34X_montm_mg; log_k -3.411 # 0 #
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# 0.34 K+ + X_montm_mg-0.34 = K0.34X_montm_mg; log_k -2.83 # 0.581 #
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@ -2991,13 +2990,13 @@ Wollastonite -6.97 700 56 0.4 0 0
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# # # The divalent cations have rather low log_k, cf. A&P, p.254, log_k Ca0.5X ~ log_k KX
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# # # uncomment the following lines to see the effect...
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# # 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.73
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# # 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.86
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# # 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -2.83
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# # # also adapt the log_k`s of the solids...
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# # PHASES
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# # Montmorillonite(MgMg)
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# # Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.510Mg+2 + 4H4SiO4
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# # log_k 2.73
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# # log_k 2.86
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# # Montmorillonite(MgCa)
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# # Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4H4SiO4
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# # log_k 2.83
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@ -3008,8 +3007,8 @@ Wollastonite -6.97 700 56 0.4 0 0
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# # 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708e10
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# # 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222e10
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# # # write the Gaines-Thomas formulas...
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# # 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 #
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# # 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 #
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# # 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 #
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# # 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 #
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# # # The default exchanger X can be used, uncomment the follwing lines
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# # # redefine f_Na in the rate...
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@ -3021,7 +3020,7 @@ Wollastonite -6.97 700 56 0.4 0 0
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# # 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na
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# # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0
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# # 40 SAVE area * rate * affinity * TIME
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# # -end
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# # -end
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# # # adapt log_k`s of the solids with default exchanger X:
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# # PHASES
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# # Montmorillonite(MgK)
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@ -79,7 +79,7 @@ Ca+2 = Ca+2
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Sr+2 = Sr+2
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-Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97
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-viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876
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-dw 0.794e-9 160 0.68 0.767 1e-9 0.912
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-dw 0.794e-9 149 0.805 1.961 1e-9 0.7876
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Ba+2 = Ba+2
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-Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1
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-viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768
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