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phreeqcpp with new compiler version. Same as phreeqc results.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@2763 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
a920a2aac6
commit
062f9967aa
26
ex10.out
26
ex10.out
@ -125,7 +125,7 @@ Initial solution 1.
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Total alkalinity (eq/kg) = 7.864e-03
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Total CO2 (mol/kg) = 7.864e-03
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Temperature (deg C) = 25.000
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Electrical balance (eq) = 7.557e-17
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Electrical balance (eq) = 7.502e-17
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 9
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Total H = 1.110200e+02
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@ -196,16 +196,16 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.944e-02
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----------------------------Description of solution----------------------------
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pH = 6.063 Charge balance
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pe = 11.814 Adjusted to redox equilibrium
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pe = -0.555 Adjusted to redox equilibrium
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Activity of water = 0.999
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Ionic strength = 2.906e-02
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Mass of water (kg) = 9.999e-01
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Total alkalinity (eq/kg) = 2.108e-02
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Total CO2 (mol/kg) = 5.392e-02
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Temperature (deg C) = 25.000
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Electrical balance (eq) = 2.321e-12
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Electrical balance (eq) = 1.939e-13
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 10
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Iterations = 11
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Total H = 1.110200e+02
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Total O = 5.562835e+01
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@ -217,8 +217,8 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.944e-02
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H+ 9.885e-07 8.654e-07 -6.005 -6.063 -0.058
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OH- 1.366e-08 1.155e-08 -7.865 -7.937 -0.073
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H2O 5.551e+01 9.989e-01 1.744 0.000 0.000
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C(-4) 0.000e+00
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CH4 0.000e+00 0.000e+00 -120.110 -120.107 0.003
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C(-4) 7.050e-22
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CH4 7.050e-22 7.097e-22 -21.152 -21.149 0.003
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C(4) 5.392e-02
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CO2 3.285e-02 3.307e-02 -1.483 -1.481 0.003
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HCO3- 1.979e-02 1.698e-02 -1.703 -1.770 -0.067
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@ -230,10 +230,10 @@ Ca 1.054e-02
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CaHCO3+ 1.266e-03 1.086e-03 -2.897 -2.964 -0.067
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CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003
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CaOH+ 1.128e-09 9.606e-10 -8.948 -9.017 -0.070
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H(0) 2.475e-39
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H2 1.238e-39 1.246e-39 -38.907 -38.904 0.003
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O(0) 5.323e-15
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O2 2.662e-15 2.679e-15 -14.575 -14.572 0.003
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H(0) 1.359e-14
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H2 6.795e-15 6.841e-15 -14.168 -14.165 0.003
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O(0) 0.000e+00
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O2 0.000e+00 0.000e+00 -64.054 -64.051 0.003
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------------------------------Saturation indices-------------------------------
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@ -241,11 +241,11 @@ O(0) 5.323e-15
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Aragonite 0.00 -8.34 -8.34 CaCO3
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Calcite 0.14 -8.34 -8.48 CaCO3
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CH4(g) -117.25 -120.11 -2.86 CH4
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CH4(g) -18.29 -21.15 -2.86 CH4
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CO2(g) -0.01 -1.48 -1.47 CO2
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H2(g) -35.75 -38.90 -3.15 H2
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H2(g) -11.01 -14.16 -3.15 H2
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H2O(g) -1.51 0.00 1.51 H2O
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O2(g) -11.68 -14.57 -2.89 O2
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O2(g) -61.16 -64.05 -2.89 O2
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------------------
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End of simulation.
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32
ex11.out
32
ex11.out
@ -85,7 +85,7 @@ Initial solution 0. CaCl2
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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Electrical balance (eq) = 3.975e-18
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Electrical balance (eq) = 3.880e-18
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 4
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Total H = 1.110124e+02
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@ -138,7 +138,7 @@ Initial solution 1. Initial solution for column
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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Electrical balance (eq) = -8.436e-17
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Electrical balance (eq) = -8.441e-17
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 3
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Total H = 1.110124e+02
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@ -223,7 +223,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.307e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 2.341e-19
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Total alkalinity (eq/kg) = 3.629e-19
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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@ -421,7 +421,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.200e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 1.722e-19
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Total alkalinity (eq/kg) = 7.059e-19
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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@ -512,7 +512,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.200e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -2.657e-18
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Total alkalinity (eq/kg) = 2.591e-18
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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@ -605,11 +605,11 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.800e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 1.393e-18
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Total alkalinity (eq/kg) = 9.398e-19
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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Electrical balance (eq) = 7.640e-19
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Electrical balance (eq) = 5.662e-18
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 6
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Total H = 1.110124e+02
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@ -701,7 +701,7 @@ X 1.100e-03 mol
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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Electrical balance (eq) = 3.975e-18
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Electrical balance (eq) = 3.880e-18
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 0
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Total H = 1.110124e+02
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@ -786,7 +786,7 @@ X 1.100e-03 mol
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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Electrical balance (eq) = 3.975e-18
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Electrical balance (eq) = 3.880e-18
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 0
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Total H = 1.110124e+02
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@ -884,7 +884,7 @@ Initial solution 1. Initial solution for column
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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Electrical balance (eq) = -8.436e-17
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Electrical balance (eq) = -8.441e-17
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
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Iterations = 3
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Total H = 1.110124e+02
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@ -1337,7 +1337,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.200e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 4.575e-19
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Total alkalinity (eq/kg) = -8.326e-19
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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@ -1624,7 +1624,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.200e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 1.329e-18
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Total alkalinity (eq/kg) = 2.606e-18
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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@ -1913,7 +1913,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.200e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 2.022e-18
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Total alkalinity (eq/kg) = 2.223e-18
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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@ -2205,7 +2205,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.723e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 6.515e-18
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Total alkalinity (eq/kg) = 5.609e-18
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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@ -2497,7 +2497,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.799e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = 1.136e-18
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Total alkalinity (eq/kg) = 1.074e-18
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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@ -2789,7 +2789,7 @@ X 1.100e-03 mol
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Activity of water = 1.000
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Ionic strength = 1.800e-03
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Mass of water (kg) = 1.000e+00
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Total alkalinity (eq/kg) = -1.095e-19
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Total alkalinity (eq/kg) = -1.292e-18
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Total carbon (mol/kg) = 0.000e+00
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Total CO2 (mol/kg) = 0.000e+00
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Temperature (deg C) = 25.000
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6
ex12.sel
6
ex12.sel
@ -26,10 +26,10 @@
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1.5 6.421492325960e+00 6.421492342605e+00 1.757850764419e+01 1.294968671951e+01
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2.5 1.759908541854e+00 1.759908557217e+00 2.224009143310e+01 7.342808261321e+00
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3.5 3.571924631562e-01 3.571924666813e-01 2.364280752814e+01 3.623408283684e+00
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4.5 5.490209781370e-02 5.490209803284e-02 2.394509789975e+01 1.538555967129e+00
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4.5 5.490209781370e-02 5.490209803283e-02 2.394509789975e+01 1.538555967129e+00
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5.5 6.484238380348e-03 6.484238322321e-03 2.399351576096e+01 5.556625533113e-01
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6.5 5.926340095484e-04 5.926339925242e-04 2.399940736589e+01 1.684990632469e-01
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7.5 4.190926756604e-05 4.190926525098e-05 2.399995809081e+01 4.224784404205e-02
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6.5 5.926340095484e-04 5.926339925241e-04 2.399940736589e+01 1.684990632469e-01
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7.5 4.190926756604e-05 4.190926525097e-05 2.399995809081e+01 4.224784404205e-02
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8.5 2.276345750780e-06 2.276345548544e-06 2.399999772378e+01 8.664946370896e-03
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9.5 1.396593677778e-07 1.396593266669e-07 2.399999986047e+01 2.055609847093e-03
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10.5 1.138869021831e-06 1.138868368162e-06 2.399999886126e+01 4.374443607427e-03
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24
ex12a.sel
24
ex12a.sel
@ -21,9 +21,9 @@
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19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
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0.5 1.686181418415e+01 1.686181419284e+01 7.138185798942e+00 2.011377529332e+01 4.381717721800e-06 5.063555346725e-04
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1.5 6.421492325960e+00 6.421492401968e+00 1.757850758483e+01 1.294968671951e+01 1.730376465523e-05 5.107739267527e-04
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2.5 1.759908541854e+00 1.759908596888e+00 2.224009139343e+01 7.342808261321e+00 3.561257289983e-05 9.048612448176e-05
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2.5 1.759908541854e+00 1.759908596888e+00 2.224009139343e+01 7.342808261321e+00 3.561257289983e-05 9.048612448175e-05
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3.5 3.571924631562e-01 3.571924817828e-01 2.364280751303e+01 3.623408283684e+00 4.959925523712e-05 -3.731213350981e-05
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4.5 5.490209781370e-02 5.490210180420e-02 2.394509789598e+01 1.538555967129e+00 5.006313596727e-05 -1.979378199419e-05
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4.5 5.490209781370e-02 5.490210180420e-02 2.394509789598e+01 1.538555967129e+00 5.006313596727e-05 -1.979378199420e-05
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5.5 6.484238380348e-03 6.484238983036e-03 2.399351576029e+01 5.556625533113e-01 3.820767165714e-05 -4.068366980652e-06
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6.5 5.926340095484e-04 5.926340766454e-04 2.399940736579e+01 1.684990632469e-01 2.262672987200e-05 -4.892608394201e-07
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7.5 4.190926756604e-05 4.190927316647e-05 2.399995809079e+01 4.224784404205e-02 1.054699173423e-05 -3.917411153371e-08
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@ -106,22 +106,22 @@
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19.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
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19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
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0.166667 2.173421305916e+01 2.173421306343e+01 2.265786933713e+00 2.269804666237e+01
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0.5 1.732877230198e+01 1.732877231885e+01 6.671227673617e+00 2.011806700231e+01 9.000873127385e-08 3.939740866215e-05
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0.5 1.732877230198e+01 1.732877231885e+01 6.671227673617e+00 2.011806700231e+01 9.000873126344e-08 3.939740866213e-05
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0.833333 1.328083118787e+01 1.328083122259e+01 1.071916876673e+01 1.760855984610e+01
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1.16667 9.764783869793e+00 9.764783923632e+00 1.423521606399e+01 1.521226338251e+01
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1.5 6.876979954453e+00 6.876980022636e+00 1.712301996456e+01 1.296594983180e+01 1.040652365543e-06 5.528630608454e-05
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1.5 6.876979954453e+00 6.876980022636e+00 1.712301996456e+01 1.296594983180e+01 1.040652365518e-06 5.528630608454e-05
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1.83333 4.633445178532e+00 4.633445251920e+00 1.936655473578e+01 1.089878644688e+01
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2.16667 2.983957613764e+00 2.983957682798e+00 2.101604230602e+01 9.031332911170e+00
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2.5 1.835670035272e+00 1.835670093239e+00 2.216432989702e+01 7.375218041862e+00 3.202792359611e-06 1.472462813059e-05
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2.5 1.835670035272e+00 1.835670093239e+00 2.216432989702e+01 7.375218041862e+00 3.202792359605e-06 1.472462813058e-05
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2.83333 1.078309641703e+00 1.078309685856e+00 2.292169030594e+01 5.933464823535e+00
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3.16667 6.047271172834e-01 6.047271481609e-01 2.339527284513e+01 4.701369002512e+00
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3.5 3.237687663205e-01 3.237687863260e-01 2.367623120832e+01 3.667790505377e+00 5.217033543669e-06 -3.888438053034e-06
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3.5 3.237687663205e-01 3.237687863260e-01 2.367623120832e+01 3.667790505377e+00 5.217033543659e-06 -3.888438053036e-06
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3.83333 1.655091653734e-01 1.655091774635e-01 2.383449081836e+01 2.816693047507e+00
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4.16667 8.080184009388e-02 8.080184694437e-02 2.391919814987e+01 2.128765884991e+00
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4.5 3.768529738011e-02 3.768530103390e-02 2.396231469660e+01 1.582979737206e+00 5.639365890134e-06 -2.576981223895e-06
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4.16667 8.080184009388e-02 8.080184694438e-02 2.391919814987e+01 2.128765884991e+00
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4.5 3.768529738011e-02 3.768530103390e-02 2.396231469660e+01 1.582979737206e+00 5.639365890133e-06 -2.576981223895e-06
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4.83333 1.679748179371e-02 1.679748363383e-02 2.398320251464e+01 1.157961028529e+00
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5.16667 7.158658672534e-03 7.158659549845e-03 2.399284133922e+01 8.331081560778e-01
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5.5 2.918406916536e-03 2.918407313330e-03 2.399708159183e+01 5.894139758476e-01 4.456249120804e-06 -5.025353109460e-07
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5.5 2.918406916536e-03 2.918407313330e-03 2.399708159183e+01 5.894139758476e-01 4.456249120803e-06 -5.025353109460e-07
|
||||
5.83333 1.138704483513e-03 1.138704654055e-03 2.399886129476e+01 4.099947290007e-01
|
||||
6.16667 4.254614091981e-04 4.254614789565e-04 2.399957453813e+01 2.803535790355e-01
|
||||
6.5 1.523110828875e-04 1.523111100786e-04 2.399984768864e+01 1.884251292312e-01 2.700663887622e-06 -4.893787285332e-08
|
||||
@ -130,15 +130,15 @@
|
||||
7.5 5.436060808742e-06 5.436062028076e-06 2.399999456390e+01 5.150981286307e-02 1.285022913219e-06 -2.700900395319e-09
|
||||
7.83333 1.649087567417e-06 1.649087963539e-06 2.399999835090e+01 3.227276557118e-02
|
||||
8.16667 4.806328011003e-07 4.806329243356e-07 2.399999951938e+01 1.987075437176e-02
|
||||
8.5 1.346545980534e-07 1.346546347972e-07 2.399999986537e+01 1.203507596490e-02 4.530197984976e-07 -9.008061084843e-11
|
||||
8.5 1.346545980534e-07 1.346546347972e-07 2.399999986537e+01 1.203507596490e-02 4.530197984977e-07 -9.008061084843e-11
|
||||
8.83333 3.628418612942e-08 3.628419663777e-08 2.399999996375e+01 7.194421703709e-03
|
||||
9.16667 9.420115605087e-09 9.420118494078e-09 2.399999999061e+01 4.290208467916e-03
|
||||
9.5 2.409789753518e-09 2.409790536013e-09 2.399999999763e+01 2.633460429579e-03
|
||||
9.83333 8.318493065839e-10 8.318495907156e-10 2.399999999921e+01 1.799170182453e-03
|
||||
9.83333 8.318493065839e-10 8.318495907157e-10 2.399999999921e+01 1.799170182453e-03
|
||||
10.1667 1.239138622414e-09 1.239139029449e-09 2.399999999880e+01 1.552911248870e-03
|
||||
10.5 4.450121249069e-09 4.450122620279e-09 2.399999999559e+01 1.804410616828e-03
|
||||
10.8333 1.697307773631e-08 1.697308267054e-08 2.399999998306e+01 2.583364148394e-03
|
||||
11.1667 6.262520065472e-08 6.262521780820e-08 2.399999993741e+01 4.033590225456e-03
|
||||
11.1667 6.262520065472e-08 6.262521780821e-08 2.399999993741e+01 4.033590225456e-03
|
||||
11.5 2.221760110271e-07 2.221760682135e-07 2.399999977785e+01 6.422343300949e-03
|
||||
11.8333 7.572168365738e-07 7.572170191790e-07 2.399999924281e+01 1.016200278611e-02
|
||||
12.1667 2.477714073998e-06 2.477714631993e-06 2.399999752230e+01 1.584124624556e-02
|
||||
|
||||
8
ex14.out
8
ex14.out
@ -84,7 +84,7 @@ Initial solution 1. Brine
|
||||
Total alkalinity (eq/kg) = 3.333e-03
|
||||
Total CO2 (mol/kg) = 3.960e-03
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -4.829e-14
|
||||
Electrical balance (eq) = -4.831e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 11
|
||||
Total H = 1.110158e+02
|
||||
@ -267,7 +267,7 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -7.679e-04
|
||||
Total alkalinity (eq/kg) = 2.441e-03
|
||||
Total CO2 (mol/kg) = 3.514e-03
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -3.676e-14
|
||||
Electrical balance (eq) = -3.724e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 4
|
||||
Total H = 1.110158e+02
|
||||
@ -646,7 +646,7 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.349e-03
|
||||
Total alkalinity (eq/kg) = 6.057e-03
|
||||
Total CO2 (mol/kg) = 7.120e-03
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 2.211e-15
|
||||
Electrical balance (eq) = 2.210e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
@ -866,7 +866,7 @@ X 1.000e+00 mol
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -8.721e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.44
|
||||
Iterations = 12
|
||||
Iterations = 13
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.552983e+01
|
||||
|
||||
|
||||
98
ex3.out
98
ex3.out
@ -358,7 +358,7 @@ Mixture 1.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.351 Charge balance
|
||||
pe = 10.486 Adjusted to redox equilibrium
|
||||
pe = -1.715 Adjusted to redox equilibrium
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.087e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -367,7 +367,7 @@ Mixture 1.
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 15
|
||||
Iterations = 13
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554960e+01
|
||||
|
||||
@ -379,8 +379,8 @@ Mixture 1.
|
||||
OH- 3.170e-07 2.231e-07 -6.499 -6.651 -0.153
|
||||
H+ 5.603e-08 4.460e-08 -7.252 -7.351 -0.099
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -122.017 -121.996 0.021
|
||||
C(-4) 3.921e-25
|
||||
CH4 3.921e-25 4.114e-25 -24.407 -24.386 0.021
|
||||
C(4) 3.189e-03
|
||||
HCO3- 2.662e-03 1.980e-03 -2.575 -2.703 -0.129
|
||||
CO2 1.904e-04 1.998e-04 -3.720 -3.699 0.021
|
||||
@ -400,8 +400,8 @@ Ca 4.350e-03
|
||||
CaHSO4+ 1.381e-10 1.029e-10 -9.860 -9.988 -0.128
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149
|
||||
H(0) 2.865e-39
|
||||
H2 1.432e-39 1.503e-39 -38.844 -38.823 0.021
|
||||
H(0) 7.240e-15
|
||||
H2 3.620e-15 3.798e-15 -14.441 -14.420 0.021
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.226e-03 -2.503 -2.652 -0.149
|
||||
KSO4- 3.316e-05 2.470e-05 -4.479 -4.607 -0.128
|
||||
@ -418,12 +418,12 @@ Na 1.456e-01
|
||||
NaHCO3 1.137e-04 1.192e-04 -3.944 -3.924 0.021
|
||||
NaCO3- 5.572e-06 4.151e-06 -5.254 -5.382 -0.128
|
||||
NaOH 1.503e-08 1.577e-08 -7.823 -7.802 0.021
|
||||
O(0) 3.477e-15
|
||||
O2 1.739e-15 1.824e-15 -14.760 -14.739 0.021
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.032 -119.184 -0.153
|
||||
H2S 0.000e+00 0.000e+00 -119.614 -119.593 0.021
|
||||
S-2 0.000e+00 0.000e+00 -124.220 -124.752 -0.532
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.565 -63.544 0.021
|
||||
S(-2) 4.786e-22
|
||||
HS- 3.794e-22 2.670e-22 -21.421 -21.574 -0.153
|
||||
H2S 9.924e-23 1.041e-22 -22.003 -21.982 0.021
|
||||
S-2 2.460e-27 7.229e-28 -26.609 -27.141 -0.532
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.478e-03 1.579e-03 -2.261 -2.802 -0.540
|
||||
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021
|
||||
@ -444,22 +444,22 @@ Si 2.215e-05
|
||||
Anhydrite -1.34 -5.70 -4.36 CaSO4
|
||||
Aragonite -0.25 -8.58 -8.34 CaCO3
|
||||
Calcite -0.10 -8.58 -8.48 CaCO3
|
||||
CH4(g) -119.14 -122.00 -2.86 CH4
|
||||
CH4(g) -21.53 -24.39 -2.86 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -4.28 27.92 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.23 -3.70 -1.47 CO2
|
||||
Dolomite 0.52 -16.57 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.13 -5.71 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.67 -38.82 -3.15 H2
|
||||
H2(g) -11.27 -14.42 -3.15 H2
|
||||
H2O(g) -1.51 0.00 1.51 H2O
|
||||
H2S(g) -118.60 -119.59 -1.00 H2S
|
||||
H2S(g) -20.99 -21.98 -1.00 H2S
|
||||
Halite -3.47 -1.89 1.58 NaCl
|
||||
O2(g) -11.85 -14.74 -2.89 O2
|
||||
O2(g) -60.65 -63.54 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.87 10.89 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.77 10.89 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -88.80 -83.92 4.88 S
|
||||
Sulfur -15.59 -10.71 4.88 S
|
||||
Talc -2.74 18.66 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
------------------
|
||||
@ -515,7 +515,7 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.056 Charge balance
|
||||
pe = 10.750 Adjusted to redox equilibrium
|
||||
pe = -1.419 Adjusted to redox equilibrium
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.087e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -536,8 +536,8 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03
|
||||
OH- 1.609e-07 1.132e-07 -6.793 -6.946 -0.153
|
||||
H+ 1.104e-07 8.788e-08 -6.957 -7.056 -0.099
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -121.526 -121.505 0.021
|
||||
C(-4) 6.676e-25
|
||||
CH4 6.676e-25 7.005e-25 -24.175 -24.155 0.021
|
||||
C(4) 3.029e-03
|
||||
HCO3- 2.397e-03 1.783e-03 -2.620 -2.749 -0.129
|
||||
CO2 3.377e-04 3.543e-04 -3.471 -3.451 0.021
|
||||
@ -557,8 +557,8 @@ Ca 1.213e-02
|
||||
CaHSO4+ 7.734e-10 5.762e-10 -9.112 -9.239 -0.128
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149
|
||||
H(0) 3.293e-39
|
||||
H2 1.647e-39 1.728e-39 -38.783 -38.763 0.021
|
||||
H(0) 7.166e-15
|
||||
H2 3.583e-15 3.760e-15 -14.446 -14.425 0.021
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.149
|
||||
KSO4- 3.381e-05 2.519e-05 -4.471 -4.599 -0.128
|
||||
@ -575,12 +575,12 @@ Na 1.456e-01
|
||||
NaHCO3 1.023e-04 1.073e-04 -3.990 -3.969 0.021
|
||||
NaCO3- 2.546e-06 1.897e-06 -5.594 -5.722 -0.128
|
||||
NaOH 7.627e-09 8.002e-09 -8.118 -8.097 0.021
|
||||
O(0) 2.631e-15
|
||||
O2 1.315e-15 1.380e-15 -14.881 -14.860 0.021
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -118.486 -118.639 -0.153
|
||||
H2S 0.000e+00 0.000e+00 -118.774 -118.753 0.021
|
||||
S-2 0.000e+00 0.000e+00 -123.969 -124.501 -0.532
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.556 -63.535 0.021
|
||||
S(-2) 1.109e-21
|
||||
HS- 7.318e-22 5.150e-22 -21.136 -21.288 -0.153
|
||||
H2S 3.772e-22 3.957e-22 -21.423 -21.403 0.021
|
||||
S-2 2.409e-27 7.078e-28 -26.618 -27.150 -0.532
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.588e-03 1.611e-03 -2.253 -2.793 -0.540
|
||||
NaSO4- 1.160e-03 8.644e-04 -2.935 -3.063 -0.128
|
||||
@ -601,22 +601,22 @@ Si 2.215e-05
|
||||
Anhydrite -0.89 -5.25 -4.36 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -118.65 -121.51 -2.86 CH4
|
||||
CH4(g) -21.29 -24.15 -2.86 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -6.90 25.30 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.98 -3.45 -1.47 CO2
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.68 -5.26 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.61 -38.76 -3.15 H2
|
||||
H2(g) -11.27 -14.42 -3.15 H2
|
||||
H2O(g) -1.51 0.00 1.51 H2O
|
||||
H2S(g) -117.76 -118.75 -1.00 H2S
|
||||
H2S(g) -20.41 -21.40 -1.00 H2S
|
||||
Halite -3.47 -1.89 1.58 NaCl
|
||||
O2(g) -11.97 -14.86 -2.89 O2
|
||||
O2(g) -60.64 -63.54 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -88.02 -83.14 4.88 S
|
||||
Sulfur -15.01 -10.13 4.88 S
|
||||
Talc -5.36 16.04 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
------------------
|
||||
@ -670,7 +670,7 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.992e-05
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.442 Charge balance
|
||||
pe = 10.365 Adjusted to redox equilibrium
|
||||
pe = -1.805 Adjusted to redox equilibrium
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.088e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -691,8 +691,8 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.992e-05
|
||||
OH- 3.915e-07 2.755e-07 -6.407 -6.560 -0.153
|
||||
H+ 4.537e-08 3.612e-08 -7.343 -7.442 -0.099
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -121.862 -121.841 0.021
|
||||
C(-4) 3.132e-25
|
||||
CH4 3.132e-25 3.286e-25 -24.504 -24.483 0.021
|
||||
C(4) 3.229e-03
|
||||
HCO3- 2.721e-03 2.024e-03 -2.565 -2.694 -0.129
|
||||
MgHCO3+ 1.579e-04 1.176e-04 -3.802 -3.930 -0.128
|
||||
@ -712,8 +712,8 @@ Ca 4.390e-03
|
||||
CaHSO4+ 1.128e-10 8.402e-11 -9.948 -10.076 -0.128
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.203e-01 -0.770 -0.920 -0.149
|
||||
H(0) 3.285e-39
|
||||
H2 1.642e-39 1.723e-39 -38.785 -38.764 0.021
|
||||
H(0) 7.176e-15
|
||||
H2 3.588e-15 3.765e-15 -14.445 -14.424 0.021
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.226e-03 -2.503 -2.652 -0.149
|
||||
KSO4- 3.314e-05 2.469e-05 -4.480 -4.607 -0.128
|
||||
@ -730,12 +730,12 @@ Na 1.456e-01
|
||||
NaHCO3 1.161e-04 1.219e-04 -3.935 -3.914 0.021
|
||||
NaCO3- 7.033e-06 5.240e-06 -5.153 -5.281 -0.128
|
||||
NaOH 1.856e-08 1.947e-08 -7.731 -7.711 0.021
|
||||
O(0) 2.645e-15
|
||||
O2 1.322e-15 1.387e-15 -14.879 -14.858 0.021
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -118.886 -119.038 -0.153
|
||||
H2S 0.000e+00 0.000e+00 -119.560 -119.539 0.021
|
||||
S-2 0.000e+00 0.000e+00 -123.982 -124.514 -0.532
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.557 -63.537 0.021
|
||||
S(-2) 3.591e-22
|
||||
HS- 2.964e-22 2.086e-22 -21.528 -21.681 -0.153
|
||||
H2S 6.277e-23 6.586e-23 -22.202 -22.181 0.021
|
||||
S-2 2.374e-27 6.974e-28 -26.625 -27.156 -0.532
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.477e-03 1.579e-03 -2.261 -2.802 -0.540
|
||||
MgSO4 1.752e-03 1.838e-03 -2.757 -2.736 0.021
|
||||
@ -756,22 +756,22 @@ Si 2.215e-05
|
||||
Anhydrite -1.34 -5.70 -4.36 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -118.98 -121.84 -2.86 CH4
|
||||
CH4(g) -21.62 -24.48 -2.86 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -3.73 28.47 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.31 -3.78 -1.47 CO2
|
||||
Dolomite 0.73 -16.36 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.13 -5.71 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.61 -38.76 -3.15 H2
|
||||
H2(g) -11.27 -14.42 -3.15 H2
|
||||
H2O(g) -1.51 0.00 1.51 H2O
|
||||
H2S(g) -118.54 -119.54 -1.00 H2S
|
||||
H2S(g) -21.18 -22.18 -1.00 H2S
|
||||
Halite -3.47 -1.89 1.58 NaCl
|
||||
O2(g) -11.97 -14.86 -2.89 O2
|
||||
O2(g) -60.64 -63.54 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.51 11.25 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.41 11.25 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -88.81 -83.93 4.88 S
|
||||
Sulfur -15.79 -10.91 4.88 S
|
||||
Talc -2.19 19.21 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
------------------
|
||||
|
||||
40
ex6A-B.sel
40
ex6A-B.sel
@ -1,22 +1,22 @@
|
||||
sim state soln dist_x time step pH pe la_K+ la_H+ la_H4SiO4 Gibbsite d_Gibbsite Kaolinite d_Kaolinite K-mica d_K-mica K-feldspar d_K-feldspar si_Gibbsite si_Kaolinite si_K-mica si_K-feldspar
|
||||
1 i_soln 1 -99 -99 -99 6.99977 4 -1.0000e+03 -6.9998e+00 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990 -999.9990 -999.9990 -999.9990
|
||||
2 react 1 -99 0 1 7.00609 10.3913 -7.5735e+00 -7.0061e+00 -7.0969e+00 1.0000e+01 -2.6709e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.8037 -10.6810 -14.6840
|
||||
3 react 1 -99 0 1 8.2125 9.18486 -5.6625e+00 -8.2125e+00 -5.1950e+00 1.7820e-06 1.7820e-06 1.0000e+01 -2.1788e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.8580 -5.8610
|
||||
4 react 1 -99 0 1 9.10891 8.28845 -4.7009e+00 -9.1089e+00 -4.4670e+00 0.0000e+00 0.0000e+00 9.7149e-06 9.7149e-06 1.0000e+01 -2.0015e-05 0.0000e+00 0.0000e+00 -0.7280 0.0000 0.0000 -2.5471
|
||||
5 react 1 -99 0 1 9.3893 8.00795 -3.9009e+00 -9.3893e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3607e-05 6.3607e-05 9.9998e+00 -1.9088e-04 -2.0015 -0.7202 0.0000 0.0000
|
||||
6 react 1 -99 0 1 8.35402 9.04332 -5.5204e+00 -8.3540e+00 -5.1950e+00 1.0000e+01 -3.0232e-06 1.0000e+00 1.2370e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.5744 -5.5774
|
||||
7 react 1 -99 0 1 9.06998 -3.25852 -4.6620e+00 -9.0700e+00 -4.2522e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2683e-05 1.0000e+00 1.0785e-05 0.0000e+00 0.0000e+00 -0.9428 0.0000 0.0000 -2.1175
|
||||
8 react 1 -99 0 1 7.03143 -1.25583 -7.3981e+00 -7.0314e+00 -6.9215e+00 1.1865e-08 1.1865e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9542 -13.9572
|
||||
8 react 1 -99 0 2 7.10578 11.4644 -7.0971e+00 -7.1058e+00 -6.6206e+00 4.7135e-08 4.7135e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6762 -12.6792
|
||||
8 react 1 -99 0 3 7.24112 -1.23087 -6.7961e+00 -7.2411e+00 -6.3199e+00 1.1602e-07 1.1602e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.2497 -7.3376 -11.3406
|
||||
8 react 1 -99 0 4 7.45138 -1.59139 -6.4952e+00 -7.4514e+00 -6.0195e+00 2.4993e-07 2.4993e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.6491 -5.9254 -9.9284
|
||||
8 react 1 -99 0 5 7.71458 -2.00498 -6.1942e+00 -7.7146e+00 -5.7200e+00 5.1299e-07 5.1299e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.0500 -4.4627 -8.4657
|
||||
8 react 1 -99 0 6 7.89551 9.81121 -6.0005e+00 -7.8955e+00 -5.5279e+00 8.0811e-07 8.0811e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6658 -3.5117 -7.5147
|
||||
8 react 1 -99 0 7 8.17803 9.60452 -5.6997e+00 -8.1780e+00 -5.2314e+00 1.6334e-06 1.6334e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0728 -2.0389 -6.0419
|
||||
8 react 1 -99 0 8 8.48402 -2.76934 -5.3990e+00 -8.4840e+00 -5.0858e+00 0.0000e+00 0.0000e+00 1.7119e-06 1.7119e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1092 0.0000 -1.3229 -5.1076
|
||||
8 react 1 -99 0 9 8.77878 8.98547 -5.0983e+00 -8.7788e+00 -4.8166e+00 0.0000e+00 0.0000e+00 3.6945e-06 3.6945e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3784 0.0000 -0.7276 -3.9737
|
||||
8 react 1 -99 0 10 9.0347 -3.37711 -4.7979e+00 -9.0347e+00 -4.5514e+00 0.0000e+00 0.0000e+00 7.7006e-06 7.7006e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6436 0.0000 -0.1712 -2.8871
|
||||
8 react 1 -99 0 11 9.07198 8.47418 -4.6640e+00 -9.0720e+00 -4.2616e+00 0.0000e+00 0.0000e+00 5.2701e-07 5.2701e-07 1.0204e-05 1.0204e-05 0.0000e+00 0.0000e+00 -0.9334 0.0000 0.0000 -2.1362
|
||||
8 react 1 -99 0 12 9.2252 8.39656 -4.3726e+00 -9.2252e+00 -3.9889e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3543 -0.2964 0.0000 -1.2945
|
||||
8 react 1 -99 0 13 9.30457 -3.51496 -4.1800e+00 -9.3046e+00 -3.8127e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6212 -0.4777 0.0000 -0.7607
|
||||
8 react 1 -99 0 14 9.3893 8.43752 -3.9009e+00 -9.3893e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3607e-05 6.3607e-05 9.1200e-06 9.1200e-06 -2.0015 -0.7202 0.0000 0.0000
|
||||
2 react 1 -99 0 1 7.00609 11.4683 -7.5735e+00 -7.0061e+00 -7.0969e+00 1.0000e+01 -2.6709e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.8037 -10.6810 -14.6840
|
||||
3 react 1 -99 0 1 8.2125 9.89391 -5.6625e+00 -8.2125e+00 -5.1950e+00 1.7820e-06 1.7820e-06 1.0000e+01 -2.1788e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.8580 -5.8610
|
||||
4 react 1 -99 0 1 9.10891 9.06313 -4.7009e+00 -9.1089e+00 -4.4670e+00 0.0000e+00 0.0000e+00 9.7149e-06 9.7149e-06 1.0000e+01 -2.0015e-05 0.0000e+00 0.0000e+00 -0.7280 0.0000 0.0000 -2.5471
|
||||
5 react 1 -99 0 1 9.3893 8.71926 -3.9009e+00 -9.3893e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3607e-05 6.3607e-05 9.9998e+00 -1.9088e-04 -2.0015 -0.7202 0.0000 0.0000
|
||||
6 react 1 -99 0 1 8.35402 9.7856 -5.5204e+00 -8.3540e+00 -5.1950e+00 1.0000e+01 -3.0232e-06 1.0000e+00 1.2370e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.5744 -5.5774
|
||||
7 react 1 -99 0 1 9.06998 8.8364 -4.6620e+00 -9.0700e+00 -4.2522e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2683e-05 1.0000e+00 1.0785e-05 0.0000e+00 0.0000e+00 -0.9428 0.0000 0.0000 -2.1175
|
||||
8 react 1 -99 0 1 7.03143 11.4569 -7.3981e+00 -7.0314e+00 -6.9215e+00 1.1865e-08 1.1865e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9542 -13.9572
|
||||
8 react 1 -99 0 2 7.10578 11.2881 -7.0971e+00 -7.1058e+00 -6.6206e+00 4.7135e-08 4.7135e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6762 -12.6792
|
||||
8 react 1 -99 0 3 7.24112 11.2405 -6.7961e+00 -7.2411e+00 -6.3199e+00 1.1602e-07 1.1602e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.2497 -7.3376 -11.3406
|
||||
8 react 1 -99 0 4 7.45138 11.1879 -6.4952e+00 -7.4514e+00 -6.0195e+00 2.4993e-07 2.4993e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.6491 -5.9254 -9.9284
|
||||
8 react 1 -99 0 5 7.71458 10.9939 -6.1942e+00 -7.7146e+00 -5.7200e+00 5.1299e-07 5.1299e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.0500 -4.4627 -8.4657
|
||||
8 react 1 -99 0 6 7.89551 10.7897 -6.0005e+00 -7.8955e+00 -5.5279e+00 8.0811e-07 8.0811e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6658 -3.5117 -7.5147
|
||||
8 react 1 -99 0 7 8.17803 10.4976 -5.6997e+00 -8.1780e+00 -5.2314e+00 1.6334e-06 1.6334e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0728 -2.0389 -6.0419
|
||||
8 react 1 -99 0 8 8.48402 9.4054 -5.3990e+00 -8.4840e+00 -5.0858e+00 0.0000e+00 0.0000e+00 1.7119e-06 1.7119e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1092 0.0000 -1.3229 -5.1076
|
||||
8 react 1 -99 0 9 8.77878 9.72117 -5.0983e+00 -8.7788e+00 -4.8166e+00 0.0000e+00 0.0000e+00 3.6945e-06 3.6945e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3784 0.0000 -0.7276 -3.9737
|
||||
8 react 1 -99 0 10 9.0347 8.80148 -4.7979e+00 -9.0347e+00 -4.5514e+00 0.0000e+00 0.0000e+00 7.7006e-06 7.7006e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6436 0.0000 -0.1712 -2.8871
|
||||
8 react 1 -99 0 11 9.07198 8.86066 -4.6640e+00 -9.0720e+00 -4.2616e+00 0.0000e+00 0.0000e+00 5.2701e-07 5.2701e-07 1.0204e-05 1.0204e-05 0.0000e+00 0.0000e+00 -0.9334 0.0000 0.0000 -2.1362
|
||||
8 react 1 -99 0 12 9.2252 8.83747 -4.3726e+00 -9.2252e+00 -3.9889e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3543 -0.2964 0.0000 -1.2945
|
||||
8 react 1 -99 0 13 9.30457 8.57 -4.1800e+00 -9.3046e+00 -3.8127e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6212 -0.4777 0.0000 -0.7607
|
||||
8 react 1 -99 0 14 9.3893 8.92355 -3.9009e+00 -9.3893e+00 -3.5536e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3607e-05 6.3607e-05 9.1200e-06 9.1200e-06 -2.0015 -0.7202 0.0000 0.0000
|
||||
|
||||
12
ex7.out
12
ex7.out
@ -236,7 +236,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -1.075e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 16
|
||||
Iterations = 18
|
||||
Total H = 1.110146e+02
|
||||
Total O = 5.552186e+01
|
||||
|
||||
@ -331,7 +331,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -1.075e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 54
|
||||
Iterations = 38
|
||||
Total H = 1.110169e+02
|
||||
Total O = 5.552286e+01
|
||||
|
||||
@ -441,7 +441,7 @@ NH3(g) -8.09 8.187e-09 0.000e+00 6.386e-13 6.386e-13
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -1.075e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 30
|
||||
Iterations = 29
|
||||
Total H = 1.110187e+02
|
||||
Total O = 5.552385e+01
|
||||
|
||||
@ -551,7 +551,7 @@ NH3(g) -8.02 9.476e-09 0.000e+00 5.549e-12 5.549e-12
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -1.075e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 30
|
||||
Iterations = 23
|
||||
Total H = 1.110189e+02
|
||||
Total O = 5.552477e+01
|
||||
|
||||
@ -1209,9 +1209,9 @@ NH3(g) -7.48 3.294e-08 0.000e+00 7.117e-09 7.117e-09
|
||||
Total alkalinity (eq/kg) = 8.570e-03
|
||||
Total CO2 (mol/kg) = 2.450e-02
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -1.011e-10
|
||||
Electrical balance (eq) = -1.072e-10
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 22
|
||||
Iterations = 23
|
||||
Total H = 1.110473e+02
|
||||
Total O = 5.556816e+01
|
||||
|
||||
|
||||
77
ex8.out
77
ex8.out
@ -87,7 +87,7 @@ Initial solution 1.
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 6.940e-16
|
||||
Electrical balance (eq) = 6.936e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110124e+02
|
||||
@ -148,7 +148,7 @@ Initial solution 2.
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 7.815e-16
|
||||
Electrical balance (eq) = 7.849e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110124e+02
|
||||
@ -1913,9 +1913,6 @@ Beginning of batch-reaction calculations.
|
||||
|
||||
Reaction step 1.
|
||||
|
||||
WARNING: Fix_H+, Pure phase with add formula has not converged.
|
||||
SI may be a local minimum. Residual: 3.626412e-04
|
||||
|
||||
Using solution 2.
|
||||
Using surface 1.
|
||||
Using pure phase assemblage 1.
|
||||
@ -1935,7 +1932,7 @@ Hfo
|
||||
2.008e-01 sigma, C/m**2
|
||||
1.228e-01 psi, V
|
||||
-4.779e+00 -F*psi/RT
|
||||
8.405e-03 exp(-F*psi/RT)
|
||||
8.404e-03 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m**2/g
|
||||
5.400e+01 m**2 for 9.000e-02 g
|
||||
|
||||
@ -1945,9 +1942,9 @@ Hfo_s
|
||||
Mole Log
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
Hfo_sOH2+ 2.612e-06 0.522 2.612e-06 -5.583
|
||||
Hfo_sOH2+ 2.613e-06 0.523 2.613e-06 -5.583
|
||||
Hfo_sOH 2.054e-06 0.411 2.054e-06 -5.687
|
||||
Hfo_sOZn+ 2.964e-07 0.059 2.964e-07 -6.528
|
||||
Hfo_sOZn+ 2.962e-07 0.059 2.962e-07 -6.528
|
||||
Hfo_sO- 3.700e-08 0.007 3.700e-08 -7.432
|
||||
|
||||
Hfo_w
|
||||
@ -1956,9 +1953,9 @@ Hfo_w
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
Hfo_wOH2+ 1.111e-04 0.555 1.111e-04 -3.954
|
||||
Hfo_wOH 8.734e-05 0.437 8.734e-05 -4.059
|
||||
Hfo_wOH 8.733e-05 0.437 8.733e-05 -4.059
|
||||
Hfo_wO- 1.573e-06 0.008 1.573e-06 -5.803
|
||||
Hfo_wOZn+ 1.320e-08 0.000 1.320e-08 -7.880
|
||||
Hfo_wOZn+ 1.319e-08 0.000 1.319e-08 -7.880
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -1971,17 +1968,17 @@ Hfo_w
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.000 Charge balance
|
||||
pe = 15.094 Adjusted to redox equilibrium
|
||||
pe = 15.095 Adjusted to redox equilibrium
|
||||
Activity of water = 0.997
|
||||
Ionic strength = 1.000e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -1.210e-05
|
||||
Total alkalinity (eq/kg) = -1.211e-05
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -1.124e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.06
|
||||
Iterations = 22
|
||||
Iterations = 21
|
||||
Total H = 1.110122e+02
|
||||
Total O = 5.580609e+01
|
||||
|
||||
@ -1990,8 +1987,8 @@ Hfo_w
|
||||
Log Log Log
|
||||
Species Molality Activity Molality Activity Gamma
|
||||
|
||||
H+ 1.211e-05 9.996e-06 -4.917 -5.000 -0.083
|
||||
OH- 1.310e-09 9.980e-10 -8.883 -9.001 -0.118
|
||||
H+ 1.211e-05 1.000e-05 -4.917 -5.000 -0.083
|
||||
OH- 1.310e-09 9.977e-10 -8.883 -9.001 -0.118
|
||||
H2O 5.551e+01 9.966e-01 1.744 -0.001 0.000
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -43.349 -43.339 0.010
|
||||
@ -1999,22 +1996,22 @@ N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -52.670 -52.798 -0.128
|
||||
NH3 0.000e+00 0.000e+00 -57.052 -57.042 0.010
|
||||
N(0) 1.543e-06
|
||||
N2 7.715e-07 7.895e-07 -6.113 -6.103 0.010
|
||||
N2 7.716e-07 7.896e-07 -6.113 -6.103 0.010
|
||||
N(3) 2.412e-13
|
||||
NO2- 2.412e-13 1.818e-13 -12.618 -12.740 -0.123
|
||||
NO2- 2.412e-13 1.818e-13 -12.618 -12.741 -0.123
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.536e-02 -1.000 -1.123 -0.123
|
||||
Na 9.967e-02
|
||||
Na+ 9.967e-02 7.803e-02 -1.001 -1.108 -0.106
|
||||
NaOH 5.023e-11 5.140e-11 -10.299 -10.289 0.010
|
||||
O(0) 3.857e-06
|
||||
NaOH 5.021e-11 5.138e-11 -10.299 -10.289 0.010
|
||||
O(0) 3.858e-06
|
||||
O2 1.929e-06 1.974e-06 -5.715 -5.705 0.010
|
||||
Zn 9.969e-05
|
||||
Zn+2 9.969e-05 3.754e-05 -4.001 -4.426 -0.424
|
||||
ZnOH+ 5.251e-09 4.104e-09 -8.280 -8.387 -0.107
|
||||
Zn(OH)2 4.590e-12 4.697e-12 -11.338 -11.328 0.010
|
||||
Zn(OH)3- 1.895e-18 1.481e-18 -17.722 -17.829 -0.107
|
||||
Zn(OH)4-2 6.275e-26 2.340e-26 -25.202 -25.631 -0.428
|
||||
ZnOH+ 5.249e-09 4.102e-09 -8.280 -8.387 -0.107
|
||||
Zn(OH)2 4.587e-12 4.694e-12 -11.338 -11.328 0.010
|
||||
Zn(OH)3- 1.893e-18 1.479e-18 -17.723 -17.830 -0.107
|
||||
Zn(OH)4-2 6.266e-26 2.337e-26 -25.203 -25.631 -0.428
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2505,7 +2502,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -5.823e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.03
|
||||
Iterations = 23
|
||||
Iterations = 21
|
||||
Total H = 1.110123e+02
|
||||
Total O = 5.580617e+01
|
||||
|
||||
@ -2522,17 +2519,17 @@ H(0) 0.000e+00
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -53.527 -53.655 -0.128
|
||||
NH3 0.000e+00 0.000e+00 -56.909 -56.899 0.010
|
||||
N(0) 4.140e-07
|
||||
N2 2.070e-07 2.118e-07 -6.684 -6.674 0.010
|
||||
N(3) 4.656e-13
|
||||
NO2- 4.656e-13 3.509e-13 -12.332 -12.455 -0.123
|
||||
N(0) 4.143e-07
|
||||
N2 2.072e-07 2.120e-07 -6.684 -6.674 0.010
|
||||
N(3) 4.657e-13
|
||||
NO2- 4.657e-13 3.510e-13 -12.332 -12.455 -0.123
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.536e-02 -1.000 -1.123 -0.123
|
||||
Na 9.975e-02
|
||||
Na+ 9.975e-02 7.809e-02 -1.001 -1.107 -0.106
|
||||
NaOH 5.025e-10 5.142e-10 -9.299 -9.289 0.010
|
||||
O(0) 1.035e-06
|
||||
O2 5.175e-07 5.296e-07 -6.286 -6.276 0.010
|
||||
O2 5.173e-07 5.294e-07 -6.286 -6.276 0.010
|
||||
Zn 9.549e-05
|
||||
Zn+2 9.544e-05 3.594e-05 -4.020 -4.444 -0.424
|
||||
ZnOH+ 5.025e-08 3.927e-08 -7.299 -7.406 -0.107
|
||||
@ -3160,7 +3157,7 @@ Hfo_w
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -2.514e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
|
||||
Iterations = 24
|
||||
Iterations = 22
|
||||
Total H = 1.110125e+02
|
||||
Total O = 5.580627e+01
|
||||
|
||||
@ -3175,19 +3172,19 @@ Hfo_w
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -54.599 -54.727 -0.128
|
||||
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010
|
||||
N(0) 7.993e-08
|
||||
N2 3.997e-08 4.090e-08 -7.398 -7.388 0.010
|
||||
NH4+ 0.000e+00 0.000e+00 -54.597 -54.725 -0.128
|
||||
NH3 0.000e+00 0.000e+00 -56.730 -56.720 0.010
|
||||
N(0) 8.022e-08
|
||||
N2 4.011e-08 4.104e-08 -7.397 -7.387 0.010
|
||||
N(3) 1.060e-12
|
||||
NO2- 1.060e-12 7.986e-13 -11.975 -12.098 -0.123
|
||||
NO2- 1.060e-12 7.992e-13 -11.975 -12.097 -0.123
|
||||
N(5) 1.000e-01
|
||||
NO3- 1.000e-01 7.536e-02 -1.000 -1.123 -0.123
|
||||
Na 9.985e-02
|
||||
Na+ 9.985e-02 7.817e-02 -1.001 -1.107 -0.106
|
||||
NaOH 8.944e-09 9.153e-09 -8.048 -8.038 0.010
|
||||
O(0) 1.998e-07
|
||||
O2 9.992e-08 1.022e-07 -7.000 -6.990 0.010
|
||||
O(0) 1.996e-07
|
||||
O2 9.978e-08 1.021e-07 -7.001 -6.991 0.010
|
||||
Zn 6.245e-05
|
||||
Zn+2 6.179e-05 2.327e-05 -4.209 -4.633 -0.424
|
||||
ZnOH+ 5.786e-07 4.521e-07 -6.238 -6.345 -0.107
|
||||
@ -3439,8 +3436,8 @@ H(0) 0.000e+00
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -55.027 -55.155 -0.128
|
||||
NH3 0.000e+00 0.000e+00 -56.659 -56.649 0.010
|
||||
N(0) 4.145e-08
|
||||
N2 2.072e-08 2.121e-08 -7.684 -7.674 0.010
|
||||
N(0) 4.142e-08
|
||||
N2 2.071e-08 2.119e-08 -7.684 -7.674 0.010
|
||||
N(3) 1.473e-12
|
||||
NO2- 1.473e-12 1.110e-12 -11.832 -11.955 -0.123
|
||||
N(5) 1.000e-01
|
||||
@ -3449,7 +3446,7 @@ Na 9.991e-02
|
||||
Na+ 9.991e-02 7.821e-02 -1.000 -1.107 -0.106
|
||||
NaOH 2.830e-08 2.896e-08 -7.548 -7.538 0.010
|
||||
O(0) 1.035e-07
|
||||
O2 5.173e-08 5.294e-08 -7.286 -7.276 0.010
|
||||
O2 5.174e-08 5.295e-08 -7.286 -7.276 0.010
|
||||
Zn 3.750e-05
|
||||
Zn+2 3.592e-05 1.353e-05 -4.445 -4.869 -0.424
|
||||
ZnOH+ 1.064e-06 8.312e-07 -5.973 -6.080 -0.107
|
||||
|
||||
4
ex8.sel
4
ex8.sel
@ -12,7 +12,7 @@
|
||||
12 react 1 -99 0 1 7.5 12.2374 1.1903e-09 4.0447e-09 9.4740e-08
|
||||
13 react 1 -99 0 1 7.75 11.9517 4.2114e-10 4.0771e-09 9.5483e-08
|
||||
14 react 1 -99 0 1 8 11.666 1.4799e-10 4.0887e-09 9.5749e-08
|
||||
15 react 2 -99 0 1 5.00016 15.0944 9.9685e-05 1.3195e-08 2.9638e-07
|
||||
15 react 2 -99 0 1 5 15.0946 9.9686e-05 1.3187e-08 2.9620e-07
|
||||
16 react 2 -99 0 1 5.25 14.8089 9.9220e-05 3.6081e-08 7.3494e-07
|
||||
17 react 2 -99 0 1 5.5 14.5231 9.8300e-05 9.7297e-08 1.5866e-06
|
||||
18 react 2 -99 0 1 5.75 14.2374 9.6947e-05 2.5891e-07 2.7658e-06
|
||||
@ -21,7 +21,7 @@
|
||||
21 react 2 -99 0 1 6.5 13.3803 9.0584e-05 4.4798e-06 4.7815e-06
|
||||
22 react 2 -99 0 1 6.75 13.0946 8.4566e-05 1.0266e-05 4.9051e-06
|
||||
23 react 2 -99 0 1 7 12.8088 7.4581e-05 2.0039e-05 4.9534e-06
|
||||
24 react 2 -99 0 1 7.25 12.5232 6.1786e-05 3.2572e-05 4.9732e-06
|
||||
24 react 2 -99 0 1 7.25 12.523 6.1786e-05 3.2572e-05 4.9732e-06
|
||||
25 react 2 -99 0 1 7.5 12.2374 4.8388e-05 4.5601e-05 4.9823e-06
|
||||
26 react 2 -99 0 1 7.75 11.9517 3.5918e-05 5.7508e-05 4.9871e-06
|
||||
27 react 2 -99 0 1 8 11.666 2.5127e-05 6.7404e-05 4.9897e-06
|
||||
|
||||
24
ex9.out
24
ex9.out
@ -174,7 +174,7 @@ Initial solution 1.
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = -2.549e-19
|
||||
Electrical balance (eq) = -1.761e-19
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110124e+02
|
||||
@ -260,7 +260,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.645e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 8.511e-16
|
||||
Electrical balance (eq) = 8.629e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 208
|
||||
Total H = 1.110124e+02
|
||||
@ -355,7 +355,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.841e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 8.443e-16
|
||||
Electrical balance (eq) = 8.532e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 27
|
||||
Total H = 1.110124e+02
|
||||
@ -450,7 +450,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.036e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 9.302e-16
|
||||
Electrical balance (eq) = 9.307e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 67
|
||||
Total H = 1.110124e+02
|
||||
@ -545,7 +545,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.883e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 6.863e-15
|
||||
Electrical balance (eq) = 6.860e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 26
|
||||
Total H = 1.110124e+02
|
||||
@ -640,7 +640,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.689e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 6.862e-15
|
||||
Electrical balance (eq) = 6.860e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110124e+02
|
||||
@ -735,7 +735,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.017e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 6.872e-15
|
||||
Electrical balance (eq) = 6.858e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110124e+02
|
||||
@ -830,7 +830,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.156e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 6.869e-15
|
||||
Electrical balance (eq) = 6.846e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 23
|
||||
Total H = 1.110124e+02
|
||||
@ -925,7 +925,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.722e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 6.875e-15
|
||||
Electrical balance (eq) = 6.842e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 23
|
||||
Total H = 1.110124e+02
|
||||
@ -1020,7 +1020,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.394e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 5.284e-14
|
||||
Electrical balance (eq) = 5.281e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
@ -1115,7 +1115,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.279e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 5.592e-14
|
||||
Electrical balance (eq) = 5.589e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
@ -1210,7 +1210,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.603e-07
|
||||
Total carbon (mol/kg) = 0.000e+00
|
||||
Total CO2 (mol/kg) = 0.000e+00
|
||||
Temperature (deg C) = 25.000
|
||||
Electrical balance (eq) = 5.634e-14
|
||||
Electrical balance (eq) = 5.631e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user