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reran test cases. Diffs caused by CO2 changes in database

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@10233 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2015-09-10 22:10:13 +00:00
parent 8d69f1b539
commit 37580c45e5
26 changed files with 9661 additions and 9522 deletions
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5
ex1.out
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@ -159,12 +159,13 @@ C(4) 2.182e-03
CaHCO3+ 4.453e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
CO3-2 3.752e-05 7.803e-06 -4.426 -5.108 -0.682 -1.97
CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
CO2 1.186e-05 1.385e-05 -4.926 -4.858 0.067 29.09
CO2 1.186e-05 1.385e-05 -4.926 -4.858 0.067 34.43
UO2(CO3)3-4 1.252e-08 1.173e-10 -7.902 -9.931 -2.028 (0)
UO2(CO3)2-2 1.837e-09 5.716e-10 -8.736 -9.243 -0.507 (0)
MnCO3 2.550e-10 2.979e-10 -9.593 -9.526 0.067 (0)
MnHCO3+ 6.475e-11 4.294e-11 -10.189 -10.367 -0.178 (0)
UO2CO3 7.662e-12 8.950e-12 -11.116 -11.048 0.067 (0)
(CO2)2 3.015e-12 3.522e-12 -11.521 -11.453 0.067 68.87
FeCO3 1.796e-20 2.098e-20 -19.746 -19.678 0.067 (0)
FeHCO3+ 1.505e-20 1.124e-20 -19.823 -19.949 -0.127 (0)
Ca 1.066e-02
@ -289,7 +290,7 @@ U(6) 1.437e-08
Calcite 0.75 -7.73 -8.48 CaCO3
Chalcedony -0.52 -4.07 -3.55 SiO2
Chrysotile 3.36 35.56 32.20 Mg3Si2O5(OH)4
CO2(g) -3.40 -4.86 -1.46 CO2
CO2(g) -3.39 -4.86 -1.47 CO2
Dolomite 2.39 -14.70 -17.09 CaMg(CO3)2
Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3
Goethite 6.08 5.08 -1.00 FeOOH

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ex10.out
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ex10.sel
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ex11.out
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@ -211,7 +211,7 @@ Reading input data for simulation 3.
reset false
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40.
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40.
------------------------------
End of Run after 3.75 Seconds.
------------------------------
-----------------------------
End of Run after 3.7 Seconds.
-----------------------------

2
ex12.out
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@ -53,6 +53,6 @@ Reading input data for simulation 1.
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60.
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60.
------------------------------
End of Run after 1.35 Seconds.
End of Run after 1.34 Seconds.
------------------------------

2
ex12a.out
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@ -165,6 +165,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11
------------------------------
End of Run after 1.17 Seconds.
End of Run after 1.18 Seconds.
------------------------------

327
ex14.out
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@ -88,15 +88,15 @@ Initial solution 1. Brine
pH = 5.713
pe = 14.962 Equilibrium with O2(g)
Specific Conductance (µS/cm, 25°C) = 485602
Density (g/cm³) = 1.21643
Volume (L) = 1.13687
Density (g/cm³) = 1.21641
Volume (L) = 1.13688
Activity of water = 0.785
Ionic strength = 7.268e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.827e-03
Total CO2 (mol/kg) = 3.960e-03
Temperature (°C) = 25.00
Electrical balance (eq) = -2.386e-14
Electrical balance (eq) = -2.809e-14
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 12
Total H = 1.110163e+02
@ -116,17 +116,18 @@ As 2.500e-08
HAsO4-2 8.524e-12 7.774e-09 -11.069 -8.109 2.960 (0)
AsO4-3 2.777e-21 1.270e-14 -20.556 -13.896 6.660 (0)
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -144.673 -143.947 0.727 32.22
CH4 0.000e+00 0.000e+00 -144.673 -143.947 0.727 35.46
C(4) 3.960e-03
CaHCO3+ 1.904e-03 1.153e-03 -2.720 -2.938 -0.218 10.08
MgHCO3+ 1.559e-03 7.763e-04 -2.807 -3.110 -0.303 6.01
HCO3- 2.200e-04 1.272e-04 -3.658 -3.895 -0.238 43.93
HCO3- 2.200e-04 1.272e-04 -3.658 -3.895 -0.238 43.95
NaHCO3 1.439e-04 7.671e-04 -3.842 -3.115 0.727 1.80
CO2 1.325e-04 7.061e-04 -3.878 -3.151 0.727 29.09
CO2 1.325e-04 7.061e-04 -3.878 -3.151 0.727 34.43
CaCO3 6.898e-07 3.677e-06 -6.161 -5.435 0.727 -14.60
MgCO3 2.876e-07 1.533e-06 -6.541 -5.814 0.727 -17.09
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 35.65
CO3-2 2.754e-08 3.082e-09 -7.560 -8.511 -0.951 8.23
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 35.68
CO3-2 2.754e-08 3.082e-09 -7.560 -8.511 -0.951 8.24
(CO2)2 1.717e-09 9.151e-09 -8.765 -8.039 0.727 68.87
Ca 4.655e-01
Ca+2 4.629e-01 7.102e-01 -0.335 -0.149 0.186 -13.79
CaHCO3+ 1.904e-03 1.153e-03 -2.720 -2.938 -0.218 10.08
@ -146,9 +147,9 @@ Mg 1.609e-01
MgCO3 2.876e-07 1.533e-06 -6.541 -5.814 0.727 -17.09
Na 5.402e+00
Na+ 5.399e+00 1.072e+01 0.732 1.030 0.298 1.52
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.51
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.53
NaHCO3 1.439e-04 7.671e-04 -3.842 -3.115 0.727 1.80
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 35.65
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 35.68
NaOH 8.248e-19 4.397e-18 -18.084 -17.357 0.727 (0)
O(0) 9.590e-05
O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 30.40
@ -157,12 +158,12 @@ S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -141.232 -141.567 -0.335 23.12
S-2 0.000e+00 0.000e+00 -147.759 -148.772 -1.013 (0)
S(6) 4.725e-03
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.51
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 40.53
CaSO4 7.012e-04 3.738e-03 -3.154 -2.427 0.727 7.50
MgSO4 6.786e-04 3.617e-03 -3.168 -2.442 0.727 5.84
SO4-2 5.959e-04 2.959e-05 -3.225 -4.529 -1.304 24.57
CaHSO4+ 8.657e-09 4.758e-08 -8.063 -7.323 0.740 (0)
HSO4- 1.014e-09 5.572e-09 -8.994 -8.254 0.740 42.16
HSO4- 1.014e-09 5.572e-09 -8.994 -8.254 0.740 42.17
------------------------------Saturation indices-------------------------------
@ -171,8 +172,8 @@ S(6) 4.725e-03
Anhydrite -0.40 -4.68 -4.28 CaSO4
Aragonite -0.32 -8.66 -8.34 CaCO3
Calcite -0.18 -8.66 -8.48 CaCO3
CH4(g) -141.10 -143.95 -2.84 CH4
CO2(g) -1.69 -3.15 -1.46 CO2
CH4(g) -141.14 -143.95 -2.80 CH4
CO2(g) -1.68 -3.15 -1.47 CO2
Dolomite -0.36 -17.45 -17.09 CaMg(CO3)2
Gypsum -0.31 -4.89 -4.58 CaSO4:2H2O
H2(g) -41.40 -44.50 -3.10 H2
@ -221,7 +222,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e-01 1.021e-01 2.144e-03
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.094e-03
Dolomite -0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.094e-03
-----------------------------Solution composition------------------------------
@ -241,14 +242,14 @@ Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.094e-03
pe = 14.789 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 485585
Density (g/cm³) = 1.21642
Volume (L) = 1.13686
Volume (L) = 1.13687
Activity of water = 0.785
Ionic strength = 7.268e+00
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.914e-03
Total CO2 (mol/kg) = 4.004e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 1.036e-13
Electrical balance (eq) = 1.025e-13
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 3
Total H = 1.110163e+02
@ -268,17 +269,18 @@ As 2.500e-08
H3AsO4 5.830e-12 3.108e-11 -11.234 -10.508 0.727 (0)
AsO4-3 6.137e-21 2.805e-14 -20.212 -13.552 6.660 (0)
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -144.837 -144.110 0.727 32.22
CH4 0.000e+00 0.000e+00 -144.837 -144.110 0.727 35.46
C(4) 4.004e-03
CaHCO3+ 1.938e-03 1.174e-03 -2.713 -2.930 -0.218 10.08
MgHCO3+ 1.601e-03 7.975e-04 -2.796 -3.098 -0.303 6.01
HCO3- 2.245e-04 1.299e-04 -3.649 -3.887 -0.238 43.93
NaHCO3 1.469e-04 7.829e-04 -3.833 -3.106 0.727 1.80
CO2 9.094e-05 4.848e-04 -4.041 -3.314 0.727 29.09
CO2 9.094e-05 4.848e-04 -4.041 -3.314 0.727 34.43
CaCO3 1.044e-06 5.565e-06 -5.981 -5.255 0.727 -14.60
MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 -17.09
NaCO3- 1.698e-07 9.333e-07 -6.770 -6.030 0.740 35.65
CO3-2 4.178e-08 4.675e-09 -7.379 -8.330 -0.951 8.24
(CO2)2 8.092e-10 4.313e-09 -9.092 -8.365 0.727 68.87
Ca 4.644e-01
Ca+2 4.618e-01 7.086e-01 -0.336 -0.150 0.186 -13.79
CaHCO3+ 1.938e-03 1.174e-03 -2.713 -2.930 -0.218 10.08
@ -323,9 +325,9 @@ S(6) 4.725e-03
Anhydrite -0.40 -4.68 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -141.27 -144.11 -2.84 CH4
CO2(g) -1.85 -3.31 -1.46 CO2
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
CH4(g) -141.31 -144.11 -2.80 CH4
CO2(g) -1.85 -3.31 -1.47 CO2
Dolomite -0.00 -17.09 -17.09 CaMg(CO3)2
Gypsum -0.31 -4.89 -4.58 CaSO4:2H2O
H2(g) -41.40 -44.50 -3.10 H2
H2O(g) -1.61 -0.11 1.50 H2O
@ -454,7 +456,7 @@ Initial solution 0. 20 x precipitation
Total alkalinity (eq/kg) = -2.630e-05
Total CO2 (mol/kg) = 1.096e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 7.532e-16
Electrical balance (eq) = 7.536e-16
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
Total H = 1.110125e+02
@ -469,13 +471,14 @@ Initial solution 0. 20 x precipitation
OH- 4.179e-10 4.029e-10 -9.379 -9.395 -0.016 -4.11
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -145.553 -145.553 0.000 32.22
CH4 0.000e+00 0.000e+00 -145.553 -145.553 0.000 35.46
C(4) 1.096e-05
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 29.09
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.68
CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67
MgHCO3+ 6.903e-11 6.657e-11 -10.161 -10.177 -0.016 5.48
NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 1.80
(CO2)2 2.126e-12 2.127e-12 -11.672 -11.672 0.000 68.87
CO3-2 4.106e-13 3.559e-13 -12.387 -12.449 -0.062 -5.27
CaCO3 9.631e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
MgCO3 1.013e-14 1.014e-14 -13.994 -13.994 0.000 -17.09
@ -524,8 +527,8 @@ S(6) 2.351e-04
Anhydrite -3.22 -7.50 -4.28 CaSO4
Aragonite -7.91 -16.24 -8.34 CaCO3
Calcite -7.76 -16.24 -8.48 CaCO3
CH4(g) -142.71 -145.55 -2.84 CH4
CO2(g) -3.51 -4.97 -1.46 CO2
CH4(g) -142.75 -145.55 -2.80 CH4
CO2(g) -3.50 -4.97 -1.47 CO2
Dolomite -16.13 -33.22 -17.09 CaMg(CO3)2
Gypsum -2.92 -7.50 -4.58 CaSO4:2H2O
H2(g) -41.29 -44.39 -3.10 H2
@ -552,96 +555,97 @@ Using pure phase assemblage 0.
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
CO2(g) -1.50 -2.96 -1.46 1.000e+01 9.996e+00 -4.100e-03
Calcite 0.00 -8.48 -8.48 1.000e-01 9.966e-02 -3.439e-04
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.357e-03
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.065e-03
Calcite 0.00 -8.48 -8.48 1.000e-01 9.966e-02 -3.411e-04
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.350e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 7.170e-03 7.170e-03
Ca 1.893e-03 1.893e-03
C 7.117e-03 7.117e-03
Ca 1.883e-03 1.883e-03
Cl 1.337e-04 1.337e-04
Mg 1.393e-03 1.393e-03
Mg 1.386e-03 1.386e-03
Na 1.227e-04 1.227e-04
S 2.351e-04 2.351e-04
----------------------------Description of solution----------------------------
pH = 7.043 Charge balance
pe = 13.579 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 588
Density (g/cm³) = 0.99748
Volume (L) = 1.00304
pH = 7.047 Charge balance
pe = 13.575 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 586
Density (g/cm³) = 0.99747
Volume (L) = 1.00305
Activity of water = 1.000
Ionic strength = 9.688e-03
Ionic strength = 9.638e-03
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.092e-03
Total CO2 (mol/kg) = 7.170e-03
Total alkalinity (eq/kg) = 6.056e-03
Total CO2 (mol/kg) = 7.117e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.287e-15
Electrical balance (eq) = 2.056e-15
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 9
Total H = 1.110125e+02
Total O = 5.552507e+01
Total O = 5.552494e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.239e-07 1.116e-07 -6.907 -6.952 -0.045 -4.03
H+ 9.913e-08 9.064e-08 -7.004 -7.043 -0.039 0.00
OH- 1.251e-07 1.128e-07 -6.903 -6.948 -0.045 -4.04
H+ 9.812e-08 8.974e-08 -7.008 -7.047 -0.039 0.00
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -143.549 -143.548 0.001 32.22
C(4) 7.170e-03
HCO3- 5.916e-03 5.361e-03 -2.228 -2.271 -0.043 24.77
CO2 1.090e-03 1.093e-03 -2.962 -2.961 0.001 29.09
CaHCO3+ 8.999e-05 8.169e-05 -4.046 -4.088 -0.042 9.72
MgHCO3+ 6.147e-05 5.549e-05 -4.211 -4.256 -0.044 5.53
CaCO3 5.552e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
CO3-2 4.112e-06 2.774e-06 -5.386 -5.557 -0.171 -5.02
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
C(4) 7.117e-03
HCO3- 5.881e-03 5.331e-03 -2.231 -2.273 -0.043 24.77
CO2 1.073e-03 1.076e-03 -2.969 -2.968 0.001 34.43
CaHCO3+ 8.907e-05 8.087e-05 -4.050 -4.092 -0.042 9.72
MgHCO3+ 6.084e-05 5.494e-05 -4.216 -4.260 -0.044 5.53
CaCO3 5.553e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
CO3-2 4.127e-06 2.786e-06 -5.384 -5.555 -0.171 -5.02
MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 -17.09
NaHCO3 3.327e-07 3.334e-07 -6.478 -6.477 0.001 1.80
NaCO3- 6.325e-09 5.712e-09 -8.199 -8.243 -0.044 -0.93
Ca 1.893e-03
Ca+2 1.771e-03 1.194e-03 -2.752 -2.923 -0.171 -17.93
CaHCO3+ 8.999e-05 8.169e-05 -4.046 -4.088 -0.042 9.72
CaSO4 2.608e-05 2.614e-05 -4.584 -4.583 0.001 7.50
CaCO3 5.552e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
CaOH+ 2.420e-09 2.186e-09 -8.616 -8.660 -0.044 (0)
CaHSO4+ 1.724e-11 1.557e-11 -10.763 -10.808 -0.044 (0)
NaHCO3 3.309e-07 3.316e-07 -6.480 -6.479 0.001 1.80
(CO2)2 2.120e-08 2.125e-08 -7.674 -7.673 0.001 68.87
NaCO3- 6.353e-09 5.739e-09 -8.197 -8.241 -0.044 -0.93
Ca 1.883e-03
Ca+2 1.762e-03 1.189e-03 -2.754 -2.925 -0.171 -17.93
CaHCO3+ 8.907e-05 8.087e-05 -4.050 -4.092 -0.042 9.72
CaSO4 2.601e-05 2.607e-05 -4.585 -4.584 0.001 7.50
CaCO3 5.553e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
CaOH+ 2.433e-09 2.198e-09 -8.614 -8.658 -0.044 (0)
CaHSO4+ 1.702e-11 1.538e-11 -10.769 -10.813 -0.044 (0)
Cl 1.337e-04
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
Cl- 1.337e-04 1.206e-04 -3.874 -3.918 -0.045 18.14
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
Mg 1.393e-03
Mg+2 1.304e-03 8.846e-04 -2.885 -3.053 -0.169 -21.62
MgHCO3+ 6.147e-05 5.549e-05 -4.211 -4.256 -0.044 5.53
MgSO4 2.547e-05 2.553e-05 -4.594 -4.593 0.001 5.84
Mg 1.386e-03
Mg+2 1.297e-03 8.807e-04 -2.887 -3.055 -0.168 -21.62
MgHCO3+ 6.084e-05 5.494e-05 -4.216 -4.260 -0.044 5.53
MgSO4 2.540e-05 2.546e-05 -4.595 -4.594 0.001 5.84
MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 -17.09
MgOH+ 3.898e-08 3.543e-08 -7.409 -7.451 -0.041 (0)
MgOH+ 3.919e-08 3.563e-08 -7.407 -7.448 -0.041 (0)
Na 1.227e-04
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.044 -1.38
NaHCO3 3.327e-07 3.334e-07 -6.478 -6.477 0.001 1.80
NaSO4- 7.529e-08 6.823e-08 -7.123 -7.166 -0.043 14.31
NaCO3- 6.325e-09 5.712e-09 -8.199 -8.243 -0.044 -0.93
NaOH 1.232e-21 1.235e-21 -20.909 -20.908 0.001 (0)
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.043 -1.38
NaHCO3 3.309e-07 3.316e-07 -6.480 -6.479 0.001 1.80
NaSO4- 7.541e-08 6.836e-08 -7.123 -7.165 -0.043 14.31
NaCO3- 6.353e-09 5.739e-09 -8.197 -8.241 -0.044 -0.93
NaOH 1.245e-21 1.247e-21 -20.905 -20.904 0.001 (0)
O(0) 5.111e-04
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -142.234 -142.279 -0.045 20.67
H2S 0.000e+00 0.000e+00 -142.381 -142.380 0.001 37.16
S-2 0.000e+00 0.000e+00 -147.982 -148.155 -0.173 (0)
HS- 0.000e+00 0.000e+00 -142.238 -142.283 -0.045 20.67
H2S 0.000e+00 0.000e+00 -142.389 -142.388 0.001 37.16
S-2 0.000e+00 0.000e+00 -147.981 -148.154 -0.172 (0)
S(6) 2.351e-04
SO4-2 1.834e-04 1.231e-04 -3.737 -3.910 -0.173 14.76
CaSO4 2.608e-05 2.614e-05 -4.584 -4.583 0.001 7.50
MgSO4 2.547e-05 2.553e-05 -4.594 -4.593 0.001 5.84
NaSO4- 7.529e-08 6.823e-08 -7.123 -7.166 -0.043 14.31
HSO4- 1.201e-09 1.085e-09 -8.920 -8.965 -0.044 40.34
CaHSO4+ 1.724e-11 1.557e-11 -10.763 -10.808 -0.044 (0)
SO4-2 1.836e-04 1.233e-04 -3.736 -3.909 -0.173 14.76
CaSO4 2.601e-05 2.607e-05 -4.585 -4.584 0.001 7.50
MgSO4 2.540e-05 2.546e-05 -4.595 -4.594 0.001 5.84
NaSO4- 7.541e-08 6.836e-08 -7.123 -7.165 -0.043 14.31
HSO4- 1.191e-09 1.076e-09 -8.924 -8.968 -0.044 40.34
CaHSO4+ 1.702e-11 1.538e-11 -10.769 -10.813 -0.044 (0)
------------------------------Saturation indices-------------------------------
@ -650,16 +654,16 @@ S(6) 2.351e-04
Anhydrite -2.56 -6.83 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -140.71 -143.55 -2.84 CH4
CO2(g) -1.50 -2.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000
CH4(g) -140.75 -143.56 -2.80 CH4
CO2(g) -1.50 -2.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
Gypsum -2.25 -6.83 -4.58 CaSO4:2H2O
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -141.33 -149.32 -7.99 H2S
H2S(g) -141.34 -149.33 -7.99 H2S
Halite -9.44 -7.87 1.57 NaCl
O2(g) -0.70 -3.59 -2.89 O2
Sulfur -106.02 -101.14 4.88 S
Sulfur -106.03 -101.14 4.88 S
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
@ -907,18 +911,18 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
Phase SI log IAP log K(T, P) Initial Final Delta
Calcite -0.00 -8.48 -8.48 0.000e+00 0 0.000e+00
Dolomite 0.00 -17.09 -17.09 1.568e+00 1.568e+00 3.650e-07
Dolomite 0.00 -17.09 -17.09 1.568e+00 1.568e+00 3.623e-07
------------------------------Surface composition------------------------------
Diffuse Double Layer Surface-Complexation Model
Surf
2.287e-03 Surface charge, eq
1.226e-02 sigma, C/m²
4.750e-02 psi, V
-1.849e+00 -F*psi/RT
1.574e-01 exp(-F*psi/RT)
2.268e-03 Surface charge, eq
1.216e-02 sigma, C/m²
4.728e-02 psi, V
-1.840e+00 -F*psi/RT
1.587e-01 exp(-F*psi/RT)
6.000e+02 specific area, m²/g
1.800e+04 m² for 3.000e+01 g
@ -928,12 +932,12 @@ Surf
Mole Log
Species Moles Fraction Molality Molality
SurfOH 4.962e-02 0.709 4.962e-02 -1.304
SurfOH2+ 1.381e-02 0.197 1.381e-02 -1.860
SurfO- 4.083e-03 0.058 4.083e-03 -2.389
SurfOHAsO4-3 2.480e-03 0.035 2.480e-03 -2.606
SurfHAsO4- 4.303e-06 0.000 4.303e-06 -5.366
SurfH2AsO4 3.877e-08 0.000 3.877e-08 -7.412
SurfOH 4.963e-02 0.709 4.963e-02 -1.304
SurfOH2+ 1.380e-02 0.197 1.380e-02 -1.860
SurfO- 4.090e-03 0.058 4.090e-03 -2.388
SurfOHAsO4-3 2.478e-03 0.035 2.478e-03 -2.606
SurfHAsO4- 4.289e-06 0.000 4.289e-06 -5.368
SurfH2AsO4 3.858e-08 0.000 3.858e-08 -7.414
-----------------------------Exchange composition------------------------------
@ -943,101 +947,102 @@ X 1.000e+00 mol
Species Moles alents Fraction Gamma
CaX2 3.393e-01 6.785e-01 6.785e-01 -0.171
MgX2 1.603e-01 3.205e-01 3.205e-01 -0.169
NaX 9.563e-04 9.563e-04 9.563e-04 -0.044
MgX2 1.603e-01 3.205e-01 3.205e-01 -0.168
NaX 9.588e-04 9.588e-04 9.588e-04 -0.043
-----------------------------Solution composition------------------------------
Elements Molality Moles
As 3.556e-10 3.555e-10
C 7.169e-03 7.169e-03
Ca 1.879e-03 1.879e-03
As 3.594e-10 3.593e-10
C 7.117e-03 7.116e-03
Ca 1.869e-03 1.869e-03
Cl 1.337e-04 1.337e-04
Mg 1.407e-03 1.406e-03
Mg 1.399e-03 1.399e-03
Na 1.227e-04 1.227e-04
S 2.351e-04 2.351e-04
----------------------------Description of solution----------------------------
pH = 7.042 Charge balance
pe = 13.580 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 588
Density (g/cm³) = 0.99748
Volume (L) = 1.00304
pH = 7.047 Charge balance
pe = 13.575 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 585
Density (g/cm³) = 0.99747
Volume (L) = 1.00305
Activity of water = 1.000
Ionic strength = 9.686e-03
Ionic strength = 9.636e-03
Mass of water (kg) = 9.999e-01
Total alkalinity (eq/kg) = 6.090e-03
Total CO2 (mol/kg) = 7.169e-03
Total alkalinity (eq/kg) = 6.054e-03
Total CO2 (mol/kg) = 7.117e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 6.869e-09
Electrical balance (eq) = 6.817e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 13
Total H = 1.110125e+02
Total O = 5.552506e+01
Total O = 5.552494e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.238e-07 1.115e-07 -6.907 -6.953 -0.045 -4.03
H+ 9.922e-08 9.072e-08 -7.003 -7.042 -0.039 0.00
OH- 1.250e-07 1.127e-07 -6.903 -6.948 -0.045 -4.04
H+ 9.821e-08 8.981e-08 -7.008 -7.047 -0.039 0.00
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
As 3.556e-10
HAsO4-2 2.209e-10 1.470e-10 -9.656 -9.833 -0.177 (0)
H2AsO4- 1.347e-10 1.216e-10 -9.871 -9.915 -0.044 (0)
AsO4-3 1.281e-14 5.124e-15 -13.892 -14.290 -0.398 (0)
H3AsO4 1.913e-15 1.917e-15 -14.718 -14.717 0.001 (0)
As 3.594e-10
HAsO4-2 2.240e-10 1.492e-10 -9.650 -9.826 -0.176 (0)
H2AsO4- 1.353e-10 1.222e-10 -9.869 -9.913 -0.044 (0)
AsO4-3 1.311e-14 5.254e-15 -13.882 -14.279 -0.397 (0)
H3AsO4 1.904e-15 1.908e-15 -14.720 -14.719 0.001 (0)
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -143.549 -143.548 0.001 32.22
C(4) 7.169e-03
HCO3- 5.915e-03 5.360e-03 -2.228 -2.271 -0.043 24.77
CO2 1.091e-03 1.094e-03 -2.962 -2.961 0.001 29.09
CaHCO3+ 8.931e-05 8.107e-05 -4.049 -4.091 -0.042 9.72
MgHCO3+ 6.204e-05 5.601e-05 -4.207 -4.252 -0.044 5.53
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
C(4) 7.117e-03
HCO3- 5.880e-03 5.330e-03 -2.231 -2.273 -0.043 24.77
CO2 1.074e-03 1.077e-03 -2.969 -2.968 0.001 34.43
CaHCO3+ 8.840e-05 8.026e-05 -4.054 -4.096 -0.042 9.72
MgHCO3+ 6.141e-05 5.545e-05 -4.212 -4.256 -0.044 5.53
CaCO3 5.506e-06 5.518e-06 -5.259 -5.258 0.001 -14.60
CO3-2 4.107e-06 2.771e-06 -5.386 -5.557 -0.171 -5.02
CO3-2 4.122e-06 2.783e-06 -5.385 -5.555 -0.171 -5.02
MgCO3 2.356e-06 2.361e-06 -5.628 -5.627 0.001 -17.09
NaHCO3 3.327e-07 3.334e-07 -6.478 -6.477 0.001 1.80
NaCO3- 6.319e-09 5.707e-09 -8.199 -8.244 -0.044 -0.93
Ca 1.879e-03
Ca+2 1.758e-03 1.185e-03 -2.755 -2.926 -0.171 -17.93
CaHCO3+ 8.931e-05 8.107e-05 -4.049 -4.091 -0.042 9.72
CaSO4 2.589e-05 2.594e-05 -4.587 -4.586 0.001 7.50
NaHCO3 3.309e-07 3.316e-07 -6.480 -6.479 0.001 1.80
(CO2)2 2.123e-08 2.127e-08 -7.673 -7.672 0.001 68.87
NaCO3- 6.347e-09 5.734e-09 -8.197 -8.242 -0.044 -0.93
Ca 1.869e-03
Ca+2 1.749e-03 1.180e-03 -2.757 -2.928 -0.171 -17.93
CaHCO3+ 8.840e-05 8.026e-05 -4.054 -4.096 -0.042 9.72
CaSO4 2.582e-05 2.587e-05 -4.588 -4.587 0.001 7.50
CaCO3 5.506e-06 5.518e-06 -5.259 -5.258 0.001 -14.60
CaOH+ 2.401e-09 2.168e-09 -8.620 -8.664 -0.044 (0)
CaHSO4+ 1.713e-11 1.547e-11 -10.766 -10.810 -0.044 (0)
CaOH+ 2.413e-09 2.180e-09 -8.617 -8.661 -0.044 (0)
CaHSO4+ 1.691e-11 1.527e-11 -10.772 -10.816 -0.044 (0)
Cl 1.337e-04
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
Cl- 1.337e-04 1.206e-04 -3.874 -3.918 -0.045 18.14
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
Mg 1.407e-03
Mg+2 1.316e-03 8.930e-04 -2.881 -3.049 -0.169 -21.62
MgHCO3+ 6.204e-05 5.601e-05 -4.207 -4.252 -0.044 5.53
MgSO4 2.571e-05 2.576e-05 -4.590 -4.589 0.001 5.84
Mg 1.399e-03
Mg+2 1.310e-03 8.891e-04 -2.883 -3.051 -0.168 -21.62
MgHCO3+ 6.141e-05 5.545e-05 -4.212 -4.256 -0.044 5.53
MgSO4 2.564e-05 2.569e-05 -4.591 -4.590 0.001 5.84
MgCO3 2.356e-06 2.361e-06 -5.628 -5.627 0.001 -17.09
MgOH+ 3.931e-08 3.573e-08 -7.405 -7.447 -0.041 (0)
MgOH+ 3.953e-08 3.593e-08 -7.403 -7.444 -0.041 (0)
Na 1.227e-04
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.044 -1.38
NaHCO3 3.327e-07 3.334e-07 -6.478 -6.477 0.001 1.80
NaSO4- 7.528e-08 6.823e-08 -7.123 -7.166 -0.043 14.31
NaCO3- 6.319e-09 5.707e-09 -8.199 -8.244 -0.044 -0.93
NaOH 1.231e-21 1.234e-21 -20.910 -20.909 0.001 (0)
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.043 -1.38
NaHCO3 3.309e-07 3.316e-07 -6.480 -6.479 0.001 1.80
NaSO4- 7.541e-08 6.836e-08 -7.123 -7.165 -0.043 14.31
NaCO3- 6.347e-09 5.734e-09 -8.197 -8.242 -0.044 -0.93
NaOH 1.244e-21 1.247e-21 -20.905 -20.904 0.001 (0)
O(0) 5.111e-04
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
S(-2) 0.000e+00
HS- 0.000e+00 0.000e+00 -142.234 -142.279 -0.045 20.67
H2S 0.000e+00 0.000e+00 -142.381 -142.380 0.001 37.16
S-2 0.000e+00 0.000e+00 -147.982 -148.155 -0.173 (0)
HS- 0.000e+00 0.000e+00 -142.238 -142.283 -0.045 20.67
H2S 0.000e+00 0.000e+00 -142.389 -142.388 0.001 37.16
S-2 0.000e+00 0.000e+00 -147.982 -148.154 -0.172 (0)
S(6) 2.351e-04
SO4-2 1.834e-04 1.231e-04 -3.737 -3.910 -0.173 14.76
CaSO4 2.589e-05 2.594e-05 -4.587 -4.586 0.001 7.50
MgSO4 2.571e-05 2.576e-05 -4.590 -4.589 0.001 5.84
NaSO4- 7.528e-08 6.823e-08 -7.123 -7.166 -0.043 14.31
HSO4- 1.202e-09 1.086e-09 -8.920 -8.964 -0.044 40.34
CaHSO4+ 1.713e-11 1.547e-11 -10.766 -10.810 -0.044 (0)
SO4-2 1.835e-04 1.233e-04 -3.736 -3.909 -0.173 14.76
CaSO4 2.582e-05 2.587e-05 -4.588 -4.587 0.001 7.50
MgSO4 2.564e-05 2.569e-05 -4.591 -4.590 0.001 5.84
NaSO4- 7.541e-08 6.836e-08 -7.123 -7.165 -0.043 14.31
HSO4- 1.192e-09 1.076e-09 -8.924 -8.968 -0.044 40.34
CaHSO4+ 1.691e-11 1.527e-11 -10.772 -10.816 -0.044 (0)
------------------------------Saturation indices-------------------------------
@ -1046,16 +1051,16 @@ S(6) 2.351e-04
Anhydrite -2.56 -6.84 -4.28 CaSO4
Aragonite -0.15 -8.48 -8.34 CaCO3
Calcite -0.00 -8.48 -8.48 CaCO3
CH4(g) -140.71 -143.55 -2.84 CH4
CO2(g) -1.50 -2.96 -1.46 CO2
CH4(g) -140.75 -143.55 -2.80 CH4
CO2(g) -1.50 -2.97 -1.47 CO2
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O
H2(g) -41.29 -44.39 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
H2S(g) -141.33 -149.32 -7.99 H2S
H2S(g) -141.34 -149.33 -7.99 H2S
Halite -9.44 -7.87 1.57 NaCl
O2(g) -0.70 -3.59 -2.89 O2
Sulfur -106.02 -101.14 4.88 S
Sulfur -106.03 -101.14 4.88 S
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
@ -1069,6 +1074,6 @@ Reading input data for simulation 6.
------------------------------------
------------------------------
End of Run after 0.21 Seconds.
End of Run after 0.22 Seconds.
------------------------------

400
ex14.sel
View File

@ -1,202 +1,202 @@
step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs
1 4.6445e-01 1.6199e-01 5.4020e+00 2.5000e-02 5.8852e+00 0.0000e+00
1 3.4368e-04 2.4423e-04 9.3356e-02 1.5347e-03 7.2237e+00 2.5220e+00
2 2.8497e-05 1.9115e-05 2.3488e-02 1.7854e-01 8.6602e+00 2.5218e+00
3 1.5189e-05 9.4336e-06 1.4710e-02 1.1655e+00 9.1602e+00 2.5207e+00
4 1.3263e-05 8.0297e-06 1.2675e-02 1.9565e+00 9.3007e+00 2.5187e+00
5 1.2860e-05 7.7372e-06 1.1884e-02 2.2700e+00 9.3408e+00 2.5164e+00
6 1.2902e-05 7.7697e-06 1.1485e-02 2.3080e+00 9.3445e+00 2.5141e+00
7 1.3122e-05 7.9326e-06 1.1242e-02 2.2239e+00 9.3334e+00 2.5119e+00
8 1.3426e-05 8.1574e-06 1.1069e-02 2.0946e+00 9.3162e+00 2.5098e+00
9 1.3777e-05 8.4159e-06 1.0930e-02 1.9537e+00 9.2964e+00 2.5078e+00
10 1.4156e-05 8.6956e-06 1.0810e-02 1.8149e+00 9.2757e+00 2.5060e+00
11 1.4558e-05 8.9915e-06 1.0701e-02 1.6834e+00 9.2547e+00 2.5044e+00
12 1.4978e-05 9.3014e-06 1.0601e-02 1.5607e+00 9.2338e+00 2.5028e+00
13 1.5417e-05 9.6248e-06 1.0506e-02 1.4467e+00 9.2129e+00 2.5013e+00
14 1.5875e-05 9.9619e-06 1.0417e-02 1.3411e+00 9.1921e+00 2.5000e+00
15 1.6352e-05 1.0313e-05 1.0333e-02 1.2432e+00 9.1715e+00 2.4988e+00
16 1.6849e-05 1.0680e-05 1.0252e-02 1.1525e+00 9.1510e+00 2.4976e+00
17 1.7369e-05 1.1063e-05 1.0176e-02 1.0684e+00 9.1305e+00 2.4965e+00
18 1.7911e-05 1.1463e-05 1.0103e-02 9.9035e-01 9.1102e+00 2.4955e+00
19 1.8478e-05 1.1881e-05 1.0033e-02 9.1785e-01 9.0899e+00 2.4946e+00
20 1.9072e-05 1.2318e-05 9.9668e-03 8.5049e-01 9.0696e+00 2.4938e+00
21 1.9693e-05 1.2776e-05 9.9030e-03 7.8786e-01 9.0494e+00 2.4930e+00
22 2.0345e-05 1.3256e-05 9.8418e-03 7.2962e-01 9.0291e+00 2.4923e+00
23 2.1028e-05 1.3760e-05 9.7830e-03 6.7545e-01 9.0089e+00 2.4916e+00
24 2.1745e-05 1.4288e-05 9.7265e-03 6.2505e-01 8.9886e+00 2.4910e+00
25 2.2498e-05 1.4844e-05 9.6722e-03 5.7816e-01 8.9683e+00 2.4904e+00
26 2.3290e-05 1.5427e-05 9.6197e-03 5.3452e-01 8.9479e+00 2.4899e+00
27 2.4123e-05 1.6041e-05 9.5692e-03 4.9392e-01 8.9274e+00 2.4894e+00
28 2.5001e-05 1.6688e-05 9.5203e-03 4.5614e-01 8.9069e+00 2.4889e+00
29 2.5925e-05 1.7369e-05 9.4731e-03 4.2099e-01 8.8863e+00 2.4885e+00
30 2.6900e-05 1.8088e-05 9.4273e-03 3.8830e-01 8.8655e+00 2.4881e+00
31 2.7928e-05 1.8846e-05 9.3830e-03 3.5790e-01 8.8447e+00 2.4877e+00
32 2.9015e-05 1.9647e-05 9.3399e-03 3.2964e-01 8.8237e+00 2.4874e+00
33 3.0163e-05 2.0493e-05 9.2980e-03 3.0338e-01 8.8026e+00 2.4871e+00
34 3.1379e-05 2.1389e-05 9.2572e-03 2.7899e-01 8.7813e+00 2.4868e+00
35 3.2665e-05 2.2338e-05 9.2173e-03 2.5635e-01 8.7599e+00 2.4866e+00
36 3.4029e-05 2.3343e-05 9.1784e-03 2.3533e-01 8.7383e+00 2.4863e+00
37 3.5475e-05 2.4409e-05 9.1403e-03 2.1585e-01 8.7166e+00 2.4861e+00
38 3.7011e-05 2.5541e-05 9.1029e-03 1.9779e-01 8.6946e+00 2.4859e+00
39 3.8642e-05 2.6743e-05 9.0662e-03 1.8106e-01 8.6725e+00 2.4857e+00
40 4.0377e-05 2.8022e-05 9.0300e-03 1.6557e-01 8.6501e+00 2.4856e+00
41 4.2224e-05 2.9383e-05 8.9943e-03 1.5126e-01 8.6275e+00 2.4854e+00
42 4.4191e-05 3.0834e-05 8.9589e-03 1.3802e-01 8.6047e+00 2.4853e+00
43 4.6289e-05 3.2380e-05 8.9238e-03 1.2581e-01 8.5817e+00 2.4852e+00
44 4.8529e-05 3.4031e-05 8.8889e-03 1.1454e-01 8.5583e+00 2.4850e+00
45 5.0922e-05 3.5795e-05 8.8540e-03 1.0416e-01 8.5348e+00 2.4849e+00
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68 2.0530e-04 1.4961e-04 7.7096e-03 8.0394e-03 7.9026e+00 2.4841e+00
69 2.2102e-04 1.6120e-04 7.6195e-03 7.0883e-03 7.8711e+00 2.4841e+00
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100 1.4714e-03 1.1122e-03 1.7541e-03 4.5610e-04 7.1246e+00 2.4840e+00
101 1.5072e-03 1.1400e-03 1.6033e-03 4.4416e-04 7.1161e+00 2.4840e+00
102 1.5406e-03 1.1659e-03 1.4635e-03 4.3368e-04 7.1084e+00 2.4840e+00
103 1.5714e-03 1.1898e-03 1.3345e-03 4.2448e-04 7.1015e+00 2.4840e+00
104 1.5999e-03 1.2118e-03 1.2160e-03 4.1638e-04 7.0952e+00 2.4840e+00
105 1.6261e-03 1.2321e-03 1.1074e-03 4.0926e-04 7.0895e+00 2.4840e+00
106 1.6501e-03 1.2506e-03 1.0082e-03 4.0299e-04 7.0844e+00 2.4840e+00
107 1.6720e-03 1.2675e-03 9.1795e-04 3.9746e-04 7.0799e+00 2.4840e+00
108 1.6920e-03 1.2828e-03 8.3598e-04 3.9258e-04 7.0758e+00 2.4840e+00
109 1.7101e-03 1.2968e-03 7.6174e-04 3.8828e-04 7.0721e+00 2.4840e+00
110 1.7265e-03 1.3094e-03 6.9463e-04 3.8448e-04 7.0688e+00 2.4840e+00
111 1.7414e-03 1.3207e-03 6.3409e-04 3.8113e-04 7.0659e+00 2.4840e+00
112 1.7548e-03 1.3309e-03 5.7958e-04 3.7816e-04 7.0633e+00 2.4840e+00
113 1.7669e-03 1.3401e-03 5.3057e-04 3.7554e-04 7.0609e+00 2.4840e+00
114 1.7778e-03 1.3483e-03 4.8657e-04 3.7323e-04 7.0588e+00 2.4840e+00
115 1.7876e-03 1.3557e-03 4.4712e-04 3.7118e-04 7.0570e+00 2.4840e+00
116 1.7964e-03 1.3623e-03 4.1179e-04 3.6936e-04 7.0553e+00 2.4840e+00
117 1.8043e-03 1.3682e-03 3.8019e-04 3.6776e-04 7.0538e+00 2.4840e+00
118 1.8114e-03 1.3734e-03 3.5194e-04 3.6634e-04 7.0525e+00 2.4840e+00
119 1.8178e-03 1.3781e-03 3.2671e-04 3.6508e-04 7.0514e+00 2.4840e+00
120 1.8234e-03 1.3822e-03 3.0419e-04 3.6397e-04 7.0503e+00 2.4840e+00
121 1.8285e-03 1.3859e-03 2.8411e-04 3.6299e-04 7.0494e+00 2.4840e+00
122 1.8331e-03 1.3892e-03 2.6621e-04 3.6211e-04 7.0486e+00 2.4840e+00
123 1.8372e-03 1.3921e-03 2.5026e-04 3.6134e-04 7.0478e+00 2.4840e+00
124 1.8408e-03 1.3947e-03 2.3606e-04 3.6066e-04 7.0472e+00 2.4840e+00
125 1.8441e-03 1.3969e-03 2.2343e-04 3.6005e-04 7.0466e+00 2.4840e+00
126 1.8471e-03 1.3989e-03 2.1218e-04 3.5951e-04 7.0461e+00 2.4840e+00
127 1.8497e-03 1.4007e-03 2.0218e-04 3.5904e-04 7.0457e+00 2.4840e+00
128 1.8520e-03 1.4022e-03 1.9328e-04 3.5862e-04 7.0453e+00 2.4840e+00
129 1.8542e-03 1.4036e-03 1.8538e-04 3.5825e-04 7.0449e+00 2.4840e+00
130 1.8561e-03 1.4048e-03 1.7835e-04 3.5792e-04 7.0446e+00 2.4840e+00
131 1.8578e-03 1.4058e-03 1.7211e-04 3.5762e-04 7.0443e+00 2.4840e+00
132 1.8593e-03 1.4067e-03 1.6656e-04 3.5736e-04 7.0441e+00 2.4840e+00
133 1.8607e-03 1.4075e-03 1.6163e-04 3.5714e-04 7.0438e+00 2.4840e+00
134 1.8619e-03 1.4082e-03 1.5725e-04 3.5693e-04 7.0436e+00 2.4840e+00
135 1.8630e-03 1.4088e-03 1.5337e-04 3.5675e-04 7.0435e+00 2.4840e+00
136 1.8640e-03 1.4093e-03 1.4992e-04 3.5660e-04 7.0433e+00 2.4840e+00
137 1.8650e-03 1.4097e-03 1.4685e-04 3.5646e-04 7.0432e+00 2.4840e+00
138 1.8658e-03 1.4101e-03 1.4413e-04 3.5633e-04 7.0431e+00 2.4840e+00
139 1.8665e-03 1.4104e-03 1.4172e-04 3.5622e-04 7.0430e+00 2.4840e+00
140 1.8672e-03 1.4107e-03 1.3957e-04 3.5613e-04 7.0429e+00 2.4840e+00
141 1.8679e-03 1.4109e-03 1.3767e-04 3.5604e-04 7.0428e+00 2.4840e+00
142 1.8684e-03 1.4110e-03 1.3598e-04 3.5597e-04 7.0427e+00 2.4840e+00
143 1.8690e-03 1.4112e-03 1.3448e-04 3.5590e-04 7.0426e+00 2.4840e+00
144 1.8694e-03 1.4113e-03 1.3315e-04 3.5584e-04 7.0426e+00 2.4840e+00
145 1.8699e-03 1.4114e-03 1.3197e-04 3.5579e-04 7.0425e+00 2.4840e+00
146 1.8703e-03 1.4114e-03 1.3093e-04 3.5575e-04 7.0425e+00 2.4840e+00
147 1.8707e-03 1.4115e-03 1.3000e-04 3.5571e-04 7.0425e+00 2.4840e+00
148 1.8710e-03 1.4115e-03 1.2917e-04 3.5568e-04 7.0424e+00 2.4840e+00
149 1.8714e-03 1.4115e-03 1.2844e-04 3.5565e-04 7.0424e+00 2.4840e+00
150 1.8717e-03 1.4115e-03 1.2779e-04 3.5562e-04 7.0424e+00 2.4840e+00
151 1.8720e-03 1.4114e-03 1.2721e-04 3.5560e-04 7.0423e+00 2.4840e+00
152 1.8722e-03 1.4114e-03 1.2670e-04 3.5558e-04 7.0423e+00 2.4840e+00
153 1.8725e-03 1.4113e-03 1.2625e-04 3.5556e-04 7.0423e+00 2.4840e+00
154 1.8727e-03 1.4113e-03 1.2585e-04 3.5555e-04 7.0423e+00 2.4840e+00
155 1.8730e-03 1.4112e-03 1.2549e-04 3.5553e-04 7.0423e+00 2.4840e+00
156 1.8732e-03 1.4111e-03 1.2517e-04 3.5552e-04 7.0423e+00 2.4840e+00
157 1.8734e-03 1.4111e-03 1.2489e-04 3.5551e-04 7.0423e+00 2.4840e+00
158 1.8736e-03 1.4110e-03 1.2464e-04 3.5551e-04 7.0423e+00 2.4840e+00
159 1.8738e-03 1.4109e-03 1.2442e-04 3.5550e-04 7.0423e+00 2.4840e+00
160 1.8740e-03 1.4108e-03 1.2423e-04 3.5549e-04 7.0422e+00 2.4840e+00
161 1.8742e-03 1.4107e-03 1.2405e-04 3.5549e-04 7.0422e+00 2.4840e+00
162 1.8743e-03 1.4106e-03 1.2390e-04 3.5549e-04 7.0422e+00 2.4840e+00
163 1.8745e-03 1.4105e-03 1.2376e-04 3.5548e-04 7.0422e+00 2.4840e+00
164 1.8747e-03 1.4104e-03 1.2364e-04 3.5548e-04 7.0422e+00 2.4840e+00
165 1.8748e-03 1.4103e-03 1.2353e-04 3.5548e-04 7.0422e+00 2.4840e+00
166 1.8750e-03 1.4102e-03 1.2344e-04 3.5548e-04 7.0422e+00 2.4840e+00
167 1.8751e-03 1.4101e-03 1.2335e-04 3.5548e-04 7.0422e+00 2.4840e+00
168 1.8753e-03 1.4099e-03 1.2328e-04 3.5548e-04 7.0422e+00 2.4840e+00
169 1.8754e-03 1.4098e-03 1.2321e-04 3.5548e-04 7.0422e+00 2.4840e+00
170 1.8756e-03 1.4097e-03 1.2315e-04 3.5548e-04 7.0422e+00 2.4840e+00
171 1.8757e-03 1.4096e-03 1.2310e-04 3.5548e-04 7.0422e+00 2.4840e+00
172 1.8759e-03 1.4095e-03 1.2305e-04 3.5548e-04 7.0422e+00 2.4840e+00
173 1.8760e-03 1.4094e-03 1.2301e-04 3.5549e-04 7.0422e+00 2.4840e+00
174 1.8761e-03 1.4093e-03 1.2297e-04 3.5549e-04 7.0422e+00 2.4840e+00
175 1.8763e-03 1.4092e-03 1.2294e-04 3.5549e-04 7.0422e+00 2.4840e+00
176 1.8764e-03 1.4091e-03 1.2291e-04 3.5549e-04 7.0422e+00 2.4840e+00
177 1.8765e-03 1.4089e-03 1.2288e-04 3.5549e-04 7.0422e+00 2.4840e+00
178 1.8767e-03 1.4088e-03 1.2286e-04 3.5550e-04 7.0422e+00 2.4840e+00
179 1.8768e-03 1.4087e-03 1.2284e-04 3.5550e-04 7.0422e+00 2.4840e+00
180 1.8769e-03 1.4086e-03 1.2282e-04 3.5550e-04 7.0422e+00 2.4840e+00
181 1.8770e-03 1.4085e-03 1.2281e-04 3.5551e-04 7.0423e+00 2.4840e+00
182 1.8771e-03 1.4084e-03 1.2279e-04 3.5551e-04 7.0423e+00 2.4840e+00
183 1.8773e-03 1.4083e-03 1.2278e-04 3.5551e-04 7.0423e+00 2.4840e+00
184 1.8774e-03 1.4082e-03 1.2277e-04 3.5551e-04 7.0423e+00 2.4840e+00
185 1.8775e-03 1.4081e-03 1.2276e-04 3.5552e-04 7.0423e+00 2.4840e+00
186 1.8776e-03 1.4080e-03 1.2275e-04 3.5552e-04 7.0423e+00 2.4840e+00
187 1.8777e-03 1.4079e-03 1.2274e-04 3.5552e-04 7.0423e+00 2.4840e+00
188 1.8778e-03 1.4078e-03 1.2274e-04 3.5553e-04 7.0423e+00 2.4840e+00
189 1.8780e-03 1.4076e-03 1.2273e-04 3.5553e-04 7.0423e+00 2.4840e+00
190 1.8781e-03 1.4075e-03 1.2273e-04 3.5553e-04 7.0423e+00 2.4840e+00
191 1.8782e-03 1.4074e-03 1.2272e-04 3.5553e-04 7.0423e+00 2.4840e+00
192 1.8783e-03 1.4073e-03 1.2272e-04 3.5554e-04 7.0423e+00 2.4840e+00
193 1.8784e-03 1.4072e-03 1.2271e-04 3.5554e-04 7.0423e+00 2.4840e+00
194 1.8785e-03 1.4071e-03 1.2271e-04 3.5554e-04 7.0423e+00 2.4840e+00
195 1.8786e-03 1.4070e-03 1.2271e-04 3.5555e-04 7.0423e+00 2.4840e+00
196 1.8787e-03 1.4069e-03 1.2270e-04 3.5555e-04 7.0423e+00 2.4840e+00
197 1.8788e-03 1.4068e-03 1.2270e-04 3.5555e-04 7.0423e+00 2.4840e+00
198 1.8789e-03 1.4067e-03 1.2270e-04 3.5556e-04 7.0423e+00 2.4840e+00
199 1.8790e-03 1.4066e-03 1.2270e-04 3.5556e-04 7.0423e+00 2.4840e+00
200 1.8792e-03 1.4065e-03 1.2270e-04 3.5556e-04 7.0423e+00 2.4840e+00
1 3.4330e-04 2.4396e-04 9.3322e-02 1.5374e-03 7.2244e+00 2.5220e+00
2 2.8378e-05 1.9029e-05 2.3438e-02 1.8099e-01 8.6638e+00 2.5218e+00
3 1.5125e-05 9.3869e-06 1.4671e-02 1.1874e+00 9.1652e+00 2.5206e+00
4 1.3203e-05 7.9863e-06 1.2636e-02 1.9995e+00 9.3067e+00 2.5186e+00
5 1.2796e-05 7.6909e-06 1.1843e-02 2.3254e+00 9.3475e+00 2.5163e+00
6 1.2832e-05 7.7187e-06 1.1443e-02 2.3686e+00 9.3517e+00 2.5139e+00
7 1.3044e-05 7.8764e-06 1.1198e-02 2.2855e+00 9.3410e+00 2.5117e+00
8 1.3342e-05 8.0957e-06 1.1024e-02 2.1549e+00 9.3241e+00 2.5095e+00
9 1.3684e-05 8.3485e-06 1.0885e-02 2.0118e+00 9.3045e+00 2.5075e+00
10 1.4056e-05 8.6224e-06 1.0764e-02 1.8704e+00 9.2840e+00 2.5056e+00
11 1.4449e-05 8.9121e-06 1.0655e-02 1.7362e+00 9.2632e+00 2.5039e+00
12 1.4861e-05 9.2154e-06 1.0554e-02 1.6107e+00 9.2424e+00 2.5023e+00
13 1.5290e-05 9.5320e-06 1.0459e-02 1.4941e+00 9.2216e+00 2.5008e+00
14 1.5738e-05 9.8619e-06 1.0370e-02 1.3860e+00 9.2011e+00 2.4994e+00
15 1.6204e-05 1.0206e-05 1.0285e-02 1.2857e+00 9.1806e+00 2.4981e+00
16 1.6691e-05 1.0564e-05 1.0205e-02 1.1928e+00 9.1602e+00 2.4969e+00
17 1.7198e-05 1.0938e-05 1.0128e-02 1.1065e+00 9.1400e+00 2.4958e+00
18 1.7728e-05 1.1329e-05 1.0055e-02 1.0264e+00 9.1198e+00 2.4948e+00
19 1.8282e-05 1.1737e-05 9.9848e-03 9.5190e-01 9.0996e+00 2.4938e+00
20 1.8861e-05 1.2164e-05 9.9179e-03 8.8267e-01 9.0795e+00 2.4929e+00
21 1.9467e-05 1.2611e-05 9.8538e-03 8.1826e-01 9.0595e+00 2.4921e+00
22 2.0103e-05 1.3079e-05 9.7923e-03 7.5833e-01 9.0394e+00 2.4914e+00
23 2.0768e-05 1.3570e-05 9.7333e-03 7.0254e-01 9.0193e+00 2.4907e+00
24 2.1467e-05 1.4084e-05 9.6765e-03 6.5060e-01 8.9992e+00 2.4900e+00
25 2.2200e-05 1.4625e-05 9.6219e-03 6.0224e-01 8.9790e+00 2.4894e+00
26 2.2971e-05 1.5193e-05 9.5693e-03 5.5721e-01 8.9588e+00 2.4889e+00
27 2.3781e-05 1.5790e-05 9.5185e-03 5.1528e-01 8.9385e+00 2.4883e+00
28 2.4634e-05 1.6419e-05 9.4694e-03 4.7623e-01 8.9182e+00 2.4879e+00
29 2.5532e-05 1.7081e-05 9.4220e-03 4.3988e-01 8.8977e+00 2.4874e+00
30 2.6478e-05 1.7779e-05 9.3760e-03 4.0605e-01 8.8772e+00 2.4870e+00
31 2.7477e-05 1.8515e-05 9.3315e-03 3.7456e-01 8.8565e+00 2.4866e+00
32 2.8531e-05 1.9292e-05 9.2883e-03 3.4527e-01 8.8357e+00 2.4863e+00
33 2.9645e-05 2.0113e-05 9.2462e-03 3.1803e-01 8.8148e+00 2.4860e+00
34 3.0822e-05 2.0981e-05 9.2053e-03 2.9271e-01 8.7938e+00 2.4857e+00
35 3.2069e-05 2.1900e-05 9.1654e-03 2.6918e-01 8.7726e+00 2.4854e+00
36 3.3389e-05 2.2873e-05 9.1264e-03 2.4733e-01 8.7512e+00 2.4852e+00
37 3.4788e-05 2.3904e-05 9.0883e-03 2.2705e-01 8.7296e+00 2.4849e+00
38 3.6272e-05 2.4998e-05 9.0509e-03 2.0824e-01 8.7079e+00 2.4847e+00
39 3.7849e-05 2.6161e-05 9.0142e-03 1.9080e-01 8.6859e+00 2.4845e+00
40 3.9524e-05 2.7396e-05 8.9781e-03 1.7465e-01 8.6638e+00 2.4844e+00
41 4.1307e-05 2.8710e-05 8.9424e-03 1.5969e-01 8.6414e+00 2.4842e+00
42 4.3204e-05 3.0109e-05 8.9072e-03 1.4586e-01 8.6188e+00 2.4841e+00
43 4.5227e-05 3.1600e-05 8.8723e-03 1.3308e-01 8.5960e+00 2.4839e+00
44 4.7385e-05 3.3190e-05 8.8375e-03 1.2128e-01 8.5729e+00 2.4838e+00
45 4.9689e-05 3.4889e-05 8.8029e-03 1.1039e-01 8.5496e+00 2.4837e+00
46 5.2151e-05 3.6704e-05 8.7684e-03 1.0036e-01 8.5260e+00 2.4836e+00
47 5.4786e-05 3.8647e-05 8.7337e-03 9.1131e-02 8.5021e+00 2.4835e+00
48 5.7607e-05 4.0727e-05 8.6988e-03 8.2642e-02 8.4779e+00 2.4834e+00
49 6.0632e-05 4.2957e-05 8.6636e-03 7.4844e-02 8.4535e+00 2.4834e+00
50 6.3879e-05 4.5350e-05 8.6280e-03 6.7692e-02 8.4287e+00 2.4833e+00
51 6.7366e-05 4.7921e-05 8.5918e-03 6.1139e-02 8.4036e+00 2.4832e+00
52 7.1116e-05 5.0686e-05 8.5549e-03 5.5143e-02 8.3782e+00 2.4832e+00
53 7.5154e-05 5.3663e-05 8.5170e-03 4.9665e-02 8.3525e+00 2.4831e+00
54 7.9505e-05 5.6870e-05 8.4782e-03 4.4666e-02 8.3264e+00 2.4831e+00
55 8.4198e-05 6.0331e-05 8.4382e-03 4.0112e-02 8.2999e+00 2.4830e+00
56 8.9267e-05 6.4068e-05 8.3967e-03 3.5970e-02 8.2732e+00 2.4830e+00
57 9.4747e-05 6.8108e-05 8.3536e-03 3.2207e-02 8.2460e+00 2.4830e+00
58 1.0068e-04 7.2479e-05 8.3087e-03 2.8796e-02 8.2185e+00 2.4829e+00
59 1.0710e-04 7.7215e-05 8.2618e-03 2.5708e-02 8.1906e+00 2.4829e+00
60 1.1406e-04 8.2350e-05 8.2125e-03 2.2918e-02 8.1624e+00 2.4829e+00
61 1.2162e-04 8.7923e-05 8.1606e-03 2.0401e-02 8.1338e+00 2.4829e+00
62 1.2983e-04 9.3976e-05 8.1057e-03 1.8135e-02 8.1048e+00 2.4828e+00
63 1.3876e-04 1.0056e-04 8.0477e-03 1.6100e-02 8.0754e+00 2.4828e+00
64 1.4847e-04 1.0772e-04 7.9860e-03 1.4274e-02 8.0457e+00 2.4828e+00
65 1.5904e-04 1.1551e-04 7.9203e-03 1.2640e-02 8.0156e+00 2.4828e+00
66 1.7055e-04 1.2400e-04 7.8503e-03 1.1180e-02 7.9852e+00 2.4828e+00
67 1.8310e-04 1.3326e-04 7.7754e-03 9.8787e-03 7.9545e+00 2.4828e+00
68 1.9678e-04 1.4334e-04 7.6953e-03 8.7213e-03 7.9235e+00 2.4828e+00
69 2.1170e-04 1.5434e-04 7.6094e-03 7.6939e-03 7.8922e+00 2.4828e+00
70 2.2795e-04 1.6633e-04 7.5173e-03 6.7838e-03 7.8607e+00 2.4828e+00
71 2.4567e-04 1.7939e-04 7.4184e-03 5.9792e-03 7.8290e+00 2.4828e+00
72 2.6497e-04 1.9363e-04 7.3122e-03 5.2695e-03 7.7972e+00 2.4828e+00
73 2.8598e-04 2.0912e-04 7.1983e-03 4.6446e-03 7.7652e+00 2.4827e+00
74 3.0883e-04 2.2596e-04 7.0761e-03 4.0956e-03 7.7332e+00 2.4827e+00
75 3.3363e-04 2.4425e-04 6.9451e-03 3.6140e-03 7.7013e+00 2.4827e+00
76 3.6051e-04 2.6408e-04 6.8049e-03 3.1925e-03 7.6694e+00 2.4827e+00
77 3.8959e-04 2.8552e-04 6.6552e-03 2.8241e-03 7.6377e+00 2.4827e+00
78 4.2095e-04 3.0865e-04 6.4957e-03 2.5027e-03 7.6063e+00 2.4827e+00
79 4.5468e-04 3.3352e-04 6.3263e-03 2.2226e-03 7.5752e+00 2.4827e+00
80 4.9083e-04 3.6018e-04 6.1469e-03 1.9789e-03 7.5446e+00 2.4827e+00
81 5.2942e-04 3.8864e-04 5.9576e-03 1.7671e-03 7.5145e+00 2.4827e+00
82 5.7044e-04 4.1888e-04 5.7588e-03 1.5832e-03 7.4850e+00 2.4827e+00
83 6.1382e-04 4.5087e-04 5.5509e-03 1.4236e-03 7.4563e+00 2.4827e+00
84 6.5945e-04 4.8452e-04 5.3348e-03 1.2852e-03 7.4284e+00 2.4827e+00
85 7.0691e-04 5.1999e-04 5.1110e-03 1.1651e-03 7.4014e+00 2.4827e+00
86 7.5562e-04 5.5750e-04 4.8807e-03 1.0607e-03 7.3753e+00 2.4827e+00
87 8.0589e-04 5.9627e-04 4.6455e-03 9.7033e-04 7.3503e+00 2.4827e+00
88 8.5741e-04 6.3604e-04 4.4070e-03 8.9199e-04 7.3265e+00 2.4827e+00
89 9.0983e-04 6.7656e-04 4.1667e-03 8.2410e-04 7.3038e+00 2.4827e+00
90 9.6276e-04 7.1752e-04 3.9262e-03 7.6524e-04 7.2824e+00 2.4827e+00
91 1.0158e-03 7.5861e-04 3.6873e-03 7.1415e-04 7.2623e+00 2.4827e+00
92 1.0686e-03 7.9954e-04 3.4516e-03 6.6979e-04 7.2433e+00 2.4827e+00
93 1.1208e-03 8.3999e-04 3.2206e-03 6.3123e-04 7.2257e+00 2.4827e+00
94 1.1719e-03 8.7967e-04 2.9958e-03 5.9767e-04 7.2093e+00 2.4827e+00
95 1.2217e-03 9.1831e-04 2.7786e-03 5.6844e-04 7.1940e+00 2.4827e+00
96 1.2698e-03 9.5569e-04 2.5700e-03 5.4295e-04 7.1800e+00 2.4827e+00
97 1.3160e-03 9.9158e-04 2.3709e-03 5.2070e-04 7.1671e+00 2.4827e+00
98 1.3601e-03 1.0258e-03 2.1821e-03 5.0126e-04 7.1552e+00 2.4827e+00
99 1.4019e-03 1.0583e-03 2.0039e-03 4.8424e-04 7.1444e+00 2.4827e+00
100 1.4413e-03 1.0889e-03 1.8368e-03 4.6934e-04 7.1345e+00 2.4827e+00
101 1.4783e-03 1.1176e-03 1.6808e-03 4.5628e-04 7.1255e+00 2.4827e+00
102 1.5129e-03 1.1444e-03 1.5358e-03 4.4482e-04 7.1173e+00 2.4827e+00
103 1.5449e-03 1.1693e-03 1.4017e-03 4.3475e-04 7.1100e+00 2.4827e+00
104 1.5746e-03 1.1923e-03 1.2781e-03 4.2590e-04 7.1033e+00 2.4827e+00
105 1.6019e-03 1.2134e-03 1.1647e-03 4.1811e-04 7.0973e+00 2.4827e+00
106 1.6270e-03 1.2328e-03 1.0608e-03 4.1125e-04 7.0919e+00 2.4827e+00
107 1.6500e-03 1.2505e-03 9.6613e-04 4.0521e-04 7.0870e+00 2.4827e+00
108 1.6710e-03 1.2667e-03 8.7997e-04 3.9988e-04 7.0826e+00 2.4827e+00
109 1.6900e-03 1.2813e-03 8.0180e-04 3.9517e-04 7.0787e+00 2.4827e+00
110 1.7074e-03 1.2946e-03 7.3103e-04 3.9102e-04 7.0752e+00 2.4827e+00
111 1.7231e-03 1.3066e-03 6.6710e-04 3.8736e-04 7.0720e+00 2.4827e+00
112 1.7372e-03 1.3175e-03 6.0946e-04 3.8412e-04 7.0692e+00 2.4827e+00
113 1.7500e-03 1.3272e-03 5.5757e-04 3.8125e-04 7.0667e+00 2.4827e+00
114 1.7616e-03 1.3359e-03 5.1093e-04 3.7872e-04 7.0645e+00 2.4827e+00
115 1.7720e-03 1.3438e-03 4.6907e-04 3.7648e-04 7.0625e+00 2.4827e+00
116 1.7813e-03 1.3508e-03 4.3155e-04 3.7450e-04 7.0607e+00 2.4827e+00
117 1.7897e-03 1.3571e-03 3.9794e-04 3.7274e-04 7.0591e+00 2.4827e+00
118 1.7972e-03 1.3627e-03 3.6788e-04 3.7119e-04 7.0577e+00 2.4827e+00
119 1.8040e-03 1.3676e-03 3.4101e-04 3.6982e-04 7.0565e+00 2.4827e+00
120 1.8100e-03 1.3721e-03 3.1702e-04 3.6860e-04 7.0553e+00 2.4827e+00
121 1.8155e-03 1.3760e-03 2.9560e-04 3.6752e-04 7.0543e+00 2.4827e+00
122 1.8203e-03 1.3795e-03 2.7650e-04 3.6656e-04 7.0535e+00 2.4827e+00
123 1.8247e-03 1.3826e-03 2.5947e-04 3.6572e-04 7.0527e+00 2.4827e+00
124 1.8286e-03 1.3854e-03 2.4430e-04 3.6497e-04 7.0520e+00 2.4827e+00
125 1.8321e-03 1.3878e-03 2.3079e-04 3.6430e-04 7.0514e+00 2.4827e+00
126 1.8352e-03 1.3900e-03 2.1876e-04 3.6372e-04 7.0508e+00 2.4827e+00
127 1.8380e-03 1.3919e-03 2.0806e-04 3.6320e-04 7.0503e+00 2.4827e+00
128 1.8405e-03 1.3935e-03 1.9854e-04 3.6273e-04 7.0499e+00 2.4827e+00
129 1.8427e-03 1.3950e-03 1.9007e-04 3.6233e-04 7.0495e+00 2.4827e+00
130 1.8448e-03 1.3963e-03 1.8254e-04 3.6196e-04 7.0492e+00 2.4827e+00
131 1.8466e-03 1.3974e-03 1.7584e-04 3.6164e-04 7.0488e+00 2.4827e+00
132 1.8482e-03 1.3984e-03 1.6989e-04 3.6136e-04 7.0486e+00 2.4827e+00
133 1.8497e-03 1.3993e-03 1.6461e-04 3.6111e-04 7.0483e+00 2.4827e+00
134 1.8510e-03 1.4000e-03 1.5991e-04 3.6088e-04 7.0481e+00 2.4827e+00
135 1.8522e-03 1.4007e-03 1.5573e-04 3.6069e-04 7.0479e+00 2.4827e+00
136 1.8533e-03 1.4012e-03 1.5203e-04 3.6051e-04 7.0478e+00 2.4827e+00
137 1.8542e-03 1.4017e-03 1.4873e-04 3.6036e-04 7.0476e+00 2.4827e+00
138 1.8551e-03 1.4021e-03 1.4581e-04 3.6022e-04 7.0475e+00 2.4827e+00
139 1.8559e-03 1.4025e-03 1.4321e-04 3.6010e-04 7.0474e+00 2.4827e+00
140 1.8566e-03 1.4028e-03 1.4091e-04 3.6000e-04 7.0473e+00 2.4827e+00
141 1.8573e-03 1.4030e-03 1.3886e-04 3.5990e-04 7.0472e+00 2.4827e+00
142 1.8579e-03 1.4032e-03 1.3704e-04 3.5982e-04 7.0471e+00 2.4827e+00
143 1.8585e-03 1.4034e-03 1.3543e-04 3.5975e-04 7.0471e+00 2.4827e+00
144 1.8590e-03 1.4035e-03 1.3399e-04 3.5968e-04 7.0470e+00 2.4827e+00
145 1.8594e-03 1.4036e-03 1.3272e-04 3.5963e-04 7.0469e+00 2.4827e+00
146 1.8599e-03 1.4037e-03 1.3159e-04 3.5958e-04 7.0469e+00 2.4827e+00
147 1.8603e-03 1.4037e-03 1.3059e-04 3.5953e-04 7.0468e+00 2.4827e+00
148 1.8606e-03 1.4037e-03 1.2970e-04 3.5950e-04 7.0468e+00 2.4827e+00
149 1.8610e-03 1.4038e-03 1.2891e-04 3.5946e-04 7.0468e+00 2.4827e+00
150 1.8613e-03 1.4037e-03 1.2821e-04 3.5943e-04 7.0467e+00 2.4827e+00
151 1.8616e-03 1.4037e-03 1.2759e-04 3.5941e-04 7.0467e+00 2.4827e+00
152 1.8619e-03 1.4037e-03 1.2704e-04 3.5938e-04 7.0467e+00 2.4827e+00
153 1.8621e-03 1.4037e-03 1.2655e-04 3.5937e-04 7.0467e+00 2.4827e+00
154 1.8624e-03 1.4036e-03 1.2611e-04 3.5935e-04 7.0467e+00 2.4827e+00
155 1.8626e-03 1.4035e-03 1.2573e-04 3.5933e-04 7.0467e+00 2.4827e+00
156 1.8629e-03 1.4035e-03 1.2538e-04 3.5932e-04 7.0466e+00 2.4827e+00
157 1.8631e-03 1.4034e-03 1.2508e-04 3.5931e-04 7.0466e+00 2.4827e+00
158 1.8633e-03 1.4033e-03 1.2481e-04 3.5930e-04 7.0466e+00 2.4827e+00
159 1.8635e-03 1.4032e-03 1.2457e-04 3.5930e-04 7.0466e+00 2.4827e+00
160 1.8637e-03 1.4031e-03 1.2436e-04 3.5929e-04 7.0466e+00 2.4827e+00
161 1.8639e-03 1.4030e-03 1.2417e-04 3.5928e-04 7.0466e+00 2.4827e+00
162 1.8640e-03 1.4030e-03 1.2400e-04 3.5928e-04 7.0466e+00 2.4827e+00
163 1.8642e-03 1.4029e-03 1.2385e-04 3.5928e-04 7.0466e+00 2.4827e+00
164 1.8644e-03 1.4028e-03 1.2372e-04 3.5928e-04 7.0466e+00 2.4827e+00
165 1.8645e-03 1.4026e-03 1.2361e-04 3.5927e-04 7.0466e+00 2.4827e+00
166 1.8647e-03 1.4025e-03 1.2350e-04 3.5927e-04 7.0466e+00 2.4827e+00
167 1.8648e-03 1.4024e-03 1.2341e-04 3.5927e-04 7.0466e+00 2.4827e+00
168 1.8650e-03 1.4023e-03 1.2333e-04 3.5927e-04 7.0466e+00 2.4827e+00
169 1.8651e-03 1.4022e-03 1.2326e-04 3.5927e-04 7.0466e+00 2.4827e+00
170 1.8653e-03 1.4021e-03 1.2319e-04 3.5927e-04 7.0466e+00 2.4827e+00
171 1.8654e-03 1.4020e-03 1.2313e-04 3.5927e-04 7.0466e+00 2.4827e+00
172 1.8656e-03 1.4019e-03 1.2308e-04 3.5928e-04 7.0466e+00 2.4827e+00
173 1.8657e-03 1.4018e-03 1.2304e-04 3.5928e-04 7.0466e+00 2.4827e+00
174 1.8658e-03 1.4017e-03 1.2300e-04 3.5928e-04 7.0466e+00 2.4827e+00
175 1.8660e-03 1.4016e-03 1.2296e-04 3.5928e-04 7.0466e+00 2.4827e+00
176 1.8661e-03 1.4015e-03 1.2293e-04 3.5928e-04 7.0466e+00 2.4827e+00
177 1.8662e-03 1.4013e-03 1.2290e-04 3.5928e-04 7.0466e+00 2.4827e+00
178 1.8663e-03 1.4012e-03 1.2288e-04 3.5929e-04 7.0466e+00 2.4827e+00
179 1.8665e-03 1.4011e-03 1.2286e-04 3.5929e-04 7.0466e+00 2.4827e+00
180 1.8666e-03 1.4010e-03 1.2284e-04 3.5929e-04 7.0466e+00 2.4827e+00
181 1.8667e-03 1.4009e-03 1.2282e-04 3.5930e-04 7.0466e+00 2.4827e+00
182 1.8668e-03 1.4008e-03 1.2280e-04 3.5930e-04 7.0466e+00 2.4827e+00
183 1.8670e-03 1.4007e-03 1.2279e-04 3.5930e-04 7.0466e+00 2.4827e+00
184 1.8671e-03 1.4006e-03 1.2278e-04 3.5930e-04 7.0466e+00 2.4827e+00
185 1.8672e-03 1.4005e-03 1.2277e-04 3.5931e-04 7.0466e+00 2.4827e+00
186 1.8673e-03 1.4004e-03 1.2276e-04 3.5931e-04 7.0466e+00 2.4827e+00
187 1.8674e-03 1.4003e-03 1.2275e-04 3.5931e-04 7.0466e+00 2.4827e+00
188 1.8675e-03 1.4002e-03 1.2274e-04 3.5932e-04 7.0466e+00 2.4827e+00
189 1.8676e-03 1.4001e-03 1.2274e-04 3.5932e-04 7.0466e+00 2.4827e+00
190 1.8678e-03 1.4000e-03 1.2273e-04 3.5932e-04 7.0466e+00 2.4827e+00
191 1.8679e-03 1.3999e-03 1.2272e-04 3.5932e-04 7.0466e+00 2.4827e+00
192 1.8680e-03 1.3997e-03 1.2272e-04 3.5933e-04 7.0466e+00 2.4827e+00
193 1.8681e-03 1.3996e-03 1.2272e-04 3.5933e-04 7.0466e+00 2.4827e+00
194 1.8682e-03 1.3995e-03 1.2271e-04 3.5933e-04 7.0466e+00 2.4827e+00
195 1.8683e-03 1.3994e-03 1.2271e-04 3.5934e-04 7.0466e+00 2.4827e+00
196 1.8684e-03 1.3993e-03 1.2271e-04 3.5934e-04 7.0466e+00 2.4827e+00
197 1.8685e-03 1.3992e-03 1.2270e-04 3.5934e-04 7.0466e+00 2.4827e+00
198 1.8686e-03 1.3991e-03 1.2270e-04 3.5935e-04 7.0467e+00 2.4827e+00
199 1.8687e-03 1.3991e-03 1.2270e-04 3.5935e-04 7.0467e+00 2.4827e+00
200 1.8688e-03 1.3990e-03 1.2270e-04 3.5935e-04 7.0467e+00 2.4827e+00

6
ex15.out
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@ -212,7 +212,7 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
TRANSPORT Last 55 hours with background infilling solution
shifts 110
END
-------------------------------
End of Run after 10.36 Seconds.
-------------------------------
------------------------------
End of Run after 10.4 Seconds.
------------------------------

2
ex15a.out
View File

@ -190,6 +190,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 10.39 Seconds.
End of Run after 10.32 Seconds.
-------------------------------

2
ex15b.out
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@ -187,6 +187,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
shifts 110
END
-------------------------------
End of Run after 10.35 Seconds.
End of Run after 10.34 Seconds.
-------------------------------

14
ex16.out
View File

@ -102,12 +102,13 @@ Initial solution 1.
OH- 1.645e-08 1.604e-08 -7.784 -7.795 -0.011 -4.12
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 7.825e-04
CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 29.09
CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 34.43
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.67
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
MgHCO3+ 1.003e-07 9.781e-08 -6.999 -7.010 -0.011 5.47
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -5.31
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 1.80
(CO2)2 3.783e-09 3.784e-09 -8.422 -8.422 0.000 68.87
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 -14.60
MgCO3 5.928e-10 5.929e-10 -9.227 -9.227 0.000 -17.09
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.238 -0.011 -1.04
@ -161,7 +162,7 @@ Si 2.730e-04
Calcite -3.30 -11.78 -8.48 CaCO3
Chalcedony -0.01 -3.56 -3.55 SiO2
Chrysotile -15.88 16.32 32.20 Mg3Si2O5(OH)4
CO2(g) -1.88 -3.34 -1.46 CO2
CO2(g) -1.87 -3.34 -1.47 CO2
Dolomite -6.89 -23.98 -17.09 CaMg(CO3)2
Gypsum -4.62 -9.20 -4.58 CaSO4:2H2O
H2(g) -20.45 -23.55 -3.10 H2
@ -198,7 +199,7 @@ Initial solution 2.
pH = 6.800
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 95
Density (g/cm³) = 0.99713
Density (g/cm³) = 0.99712
Volume (L) = 1.00301
Activity of water = 1.000
Ionic strength = 1.314e-03
@ -222,13 +223,14 @@ Initial solution 2.
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 1.199e-03
HCO3- 8.907e-04 8.558e-04 -3.050 -3.068 -0.017 24.69
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 29.09
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 34.43
CaHCO3+ 2.484e-06 2.388e-06 -5.605 -5.622 -0.017 9.68
MgHCO3+ 6.233e-07 5.985e-07 -6.205 -6.223 -0.018 5.48
CO3-2 2.972e-07 2.532e-07 -6.527 -6.596 -0.069 -5.25
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 1.80
CaCO3 9.300e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
MgCO3 1.444e-08 1.444e-08 -7.840 -7.840 0.000 -17.09
(CO2)2 1.707e-09 1.707e-09 -8.768 -8.768 0.000 68.87
NaCO3- 1.221e-09 1.172e-09 -8.913 -8.931 -0.018 -1.02
Ca 2.600e-04
Ca+2 2.567e-04 2.187e-04 -3.591 -3.660 -0.070 -18.13
@ -280,7 +282,7 @@ Si 4.100e-04
Calcite -1.78 -10.26 -8.48 CaCO3
Chalcedony 0.16 -3.39 -3.55 SiO2
Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4
CO2(g) -2.05 -3.52 -1.46 CO2
CO2(g) -2.05 -3.52 -1.47 CO2
Dolomite -3.99 -21.08 -17.09 CaMg(CO3)2
Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O
H2(g) -21.65 -24.75 -3.10 H2
@ -442,6 +444,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.03 Seconds.
End of Run after 0.04 Seconds.
------------------------------

2
ex17b.out
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@ -3842,6 +3842,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.12 Seconds.
End of Run after 0.11 Seconds.
------------------------------

56
ex18.out
View File

@ -142,7 +142,7 @@ Initial solution 1. Recharge number 3
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.02
C(4) 4.300e-03
HCO3- 3.929e-03 3.622e-03 -2.406 -2.441 -0.035 23.19
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001 33.67
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001 33.66
MgHCO3+ 3.098e-05 2.848e-05 -4.509 -4.545 -0.036 4.93
CaHCO3+ 3.026e-05 2.793e-05 -4.519 -4.554 -0.035 8.96
CO3-2 5.766e-06 4.167e-06 -5.239 -5.380 -0.141 -7.22
@ -151,6 +151,7 @@ C(4) 4.300e-03
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
FeCO3 5.287e-08 5.295e-08 -7.277 -7.276 0.001 (0)
NaHCO3 4.088e-08 4.095e-08 -7.388 -7.388 0.001 1.80
(CO2)2 9.408e-10 9.423e-10 -9.026 -9.026 0.001 67.31
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 -2.99
Ca 1.200e-03
Ca+2 1.152e-03 8.322e-04 -2.939 -3.080 -0.141 -18.31
@ -245,8 +246,8 @@ Initial solution 2. Mysse
pH = 6.610
pe = 0.000
Specific Conductance (µS/cm, 63°C) = 10103
Density (g/cm³) = 0.98526
Volume (L) = 1.01936
Density (g/cm³) = 0.98524
Volume (L) = 1.01938
Activity of water = 0.999
Ionic strength = 7.403e-02
Mass of water (kg) = 1.000e+00
@ -275,16 +276,17 @@ Initial solution 2. Mysse
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35
C(4) 6.870e-03
HCO3- 4.713e-03 3.742e-03 -2.327 -2.427 -0.100 26.22
CO2 1.781e-03 1.812e-03 -2.749 -2.742 0.007 23.33
CO2 1.781e-03 1.812e-03 -2.749 -2.742 0.007 36.36
CaHCO3+ 2.439e-04 1.952e-04 -3.613 -3.709 -0.097 10.66
MgHCO3+ 6.553e-05 5.092e-05 -4.184 -4.293 -0.110 6.11
NaHCO3 4.167e-05 4.238e-05 -4.380 -4.373 0.007 1.80
CaCO3 1.631e-05 1.659e-05 -4.787 -4.780 0.007 -14.51
NaCO3- 3.516e-06 2.759e-06 -5.454 -5.559 -0.105 0.55
CO3-2 2.794e-06 1.111e-06 -5.554 -5.954 -0.401 -5.31
CO3-2 2.794e-06 1.110e-06 -5.554 -5.955 -0.401 -5.31
MgCO3 1.617e-06 1.645e-06 -5.791 -5.784 0.007 -17.09
FeHCO3+ 1.176e-08 9.225e-09 -7.930 -8.035 -0.105 (0)
FeCO3 6.456e-10 6.567e-10 -9.190 -9.183 0.007 (0)
(CO2)2 1.628e-07 1.656e-07 -6.788 -6.781 0.007 72.72
FeHCO3+ 1.176e-08 9.224e-09 -7.930 -8.035 -0.105 (0)
FeCO3 6.455e-10 6.566e-10 -9.190 -9.183 0.007 (0)
Ca 1.128e-02
Ca+2 7.602e-03 3.036e-03 -2.119 -2.518 -0.399 -17.56
CaSO4 3.418e-03 3.476e-03 -2.466 -2.459 0.007 8.42
@ -299,9 +301,9 @@ Fe(2) 4.000e-07
Fe(HS)2 2.820e-07 2.869e-07 -6.550 -6.542 0.007 (0)
Fe+2 6.004e-08 2.465e-08 -7.222 -7.608 -0.387 -19.93
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 -6.81
FeHCO3+ 1.176e-08 9.225e-09 -7.930 -8.035 -0.105 (0)
FeHCO3+ 1.176e-08 9.224e-09 -7.930 -8.035 -0.105 (0)
Fe(HS)3- 4.549e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
FeCO3 6.456e-10 6.567e-10 -9.190 -9.183 0.007 (0)
FeCO3 6.455e-10 6.566e-10 -9.190 -9.183 0.007 (0)
FeCl+ 5.994e-10 4.703e-10 -9.222 -9.328 -0.105 (0)
FeOH+ 4.985e-10 3.935e-10 -9.302 -9.405 -0.103 (0)
Fe(OH)2 2.512e-13 2.555e-13 -12.600 -12.593 0.007 (0)
@ -351,7 +353,7 @@ S(6) 1.986e-02
Aragonite 0.20 -8.47 -8.67 CaCO3
Calcite 0.32 -8.47 -8.79 CaCO3
CH2O -14.59 -14.59 0.00 CH2O
CO2(g) -0.95 -2.74 -1.79 CO2
CO2(g) -0.94 -2.74 -1.80 CO2
Dolomite 0.38 -17.49 -17.87 CaMg(CO3)2
FeS(ppt) -1.03 -4.94 -3.92 FeS
Gypsum -0.15 -4.82 -4.67 CaSO4:2H2O
@ -427,8 +429,8 @@ Solution 2: Mysse
Isotopic composition of phases:
13C Dolomite 3 + 0 = 3
13C Calcite -1.5 + 0 = -1.5
34S Anhydrite 13.5 + -0.735135 = 12.7649
13C CH2O -25 + 4.0781 = -20.9219
34S Anhydrite 13.5 + -0.735333 = 12.7647
13C CH2O -25 + 4.07955 = -20.9205
34S Pyrite -22 + 2 = -20
Solution fractions: Minimum Maximum
@ -439,21 +441,21 @@ Phase mole transfers: Minimum Maximum
Dolomite 1.118e-02 1.022e-02 1.193e-02 CaMg(CO3)2
Calcite -2.404e-02 -2.597e-02 -2.115e-02 CaCO3
Anhydrite 2.294e-02 2.040e-02 2.380e-02 CaSO4
CH2O 4.248e-03 2.509e-03 5.832e-03 CH2O
Goethite 9.935e-04 5.217e-04 1.424e-03 FeOOH
Pyrite -9.941e-04 -1.424e-03 -5.235e-04 FeS2
MgX2 -7.654e-03 -8.578e-03 -6.972e-03 MgX2
CH2O 4.248e-03 2.509e-03 5.833e-03 CH2O
Goethite 9.936e-04 5.218e-04 1.424e-03 FeOOH
Pyrite -9.942e-04 -1.424e-03 -5.235e-04 FeS2
MgX2 -7.653e-03 -8.578e-03 -6.972e-03 MgX2
NaX 1.531e-02 1.394e-02 1.716e-02 NaX
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
Redox mole transfers:
Fe(3) 9.935e-04
Fe(3) 9.936e-04
H(0) -1.182e-09
S(-2) -2.248e-03
Sum of residuals (epsilons in documentation): 2.327e+00
Sum of delta/uncertainty limit: 4.497e+00
Sum of delta/uncertainty limit: 4.498e+00
Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases.
@ -491,14 +493,14 @@ Solution 2: Mysse
Alkalinity 5.262e-03 + 0.000e+00 = 5.262e-03
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
C(4) 6.870e-03 + -3.435e-04 = 6.527e-03
Ca 1.128e-02 + -1.219e-04 = 1.116e-02
Ca 1.128e-02 + -1.232e-04 = 1.116e-02
Cl 1.785e-02 + 0.000e+00 = 1.785e-02
Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
H(0) 1.182e-09 + 0.000e+00 = 1.182e-09
K 2.540e-03 + 0.000e+00 = 2.540e-03
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
Na 3.189e-02 + -1.009e-03 = 3.088e-02
Na 3.189e-02 + -1.007e-03 = 3.088e-02
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
@ -511,7 +513,7 @@ Solution 2: Mysse
Isotopic composition of phases:
13C Dolomite 3 + 2 = 5
13C Calcite -1.5 + -1 = -2.5
34S Anhydrite 13.5 + -0.164666 = 13.3353
34S Anhydrite 13.5 + -0.164871 = 13.3351
13C CH2O -25 + 5 = -20
34S Pyrite -22 + 2 = -20
@ -524,20 +526,20 @@ Phase mole transfers: Minimum Maximum
Calcite -1.223e-02 -1.337e-02 -1.069e-02 CaCO3
Anhydrite 2.255e-02 2.040e-02 2.298e-02 CaSO4
CH2O 3.512e-03 2.509e-03 4.299e-03 CH2O
Goethite 7.972e-04 5.217e-04 1.015e-03 FeOOH
Pyrite -7.978e-04 -1.015e-03 -5.235e-04 FeS2
Ca.75Mg.25X2 -7.775e-03 -8.578e-03 -6.972e-03 Ca.75Mg.25X2
Goethite 7.973e-04 5.218e-04 1.015e-03 FeOOH
Pyrite -7.979e-04 -1.015e-03 -5.235e-04 FeS2
Ca.75Mg.25X2 -7.777e-03 -8.578e-03 -6.972e-03 Ca.75Mg.25X2
NaX 1.555e-02 1.394e-02 1.716e-02 NaX
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
Redox mole transfers:
Fe(3) 7.972e-04
Fe(3) 7.973e-04
H(0) -1.182e-09
S(-2) -1.856e-03
Sum of residuals (epsilons in documentation): 3.401e+00
Sum of delta/uncertainty limit: 7.460e+00
Sum of residuals (epsilons in documentation): 3.402e+00
Sum of delta/uncertainty limit: 7.461e+00
Maximum fractional error in element concentration: 5.000e-02
Model contains minimum number of phases.

2
ex20b.out
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@ -53631,6 +53631,6 @@ Reading input data for simulation 114.
--------------------------------------
------------------------------
End of Run after 1.26 Seconds.
End of Run after 1.27 Seconds.
------------------------------

7
ex21.out
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@ -463,13 +463,14 @@ C(4) 4.787e-04
CaHCO3+ 3.021e-05 2.187e-05 -4.520 -4.660 -0.140 9.84
NaHCO3 2.416e-05 2.628e-05 -4.617 -4.580 0.037 1.80
MgHCO3+ 2.132e-05 1.437e-05 -4.671 -4.843 -0.171 5.70
CO2 1.444e-05 1.570e-05 -4.841 -4.804 0.037 29.58
CO2 1.444e-05 1.570e-05 -4.841 -4.804 0.037 34.33
CaCO3 4.709e-06 5.122e-06 -5.327 -5.291 0.037 -14.61
NaCO3- 1.904e-06 1.393e-06 -5.720 -5.856 -0.136 1.01
MgCO3 1.887e-06 2.053e-06 -5.724 -5.688 0.037 -17.09
CO3-2 1.885e-06 4.805e-07 -5.725 -6.318 -0.594 -3.10
SrHCO3+ 6.907e-07 4.908e-07 -6.161 -6.309 -0.148 (0)
SrCO3 3.405e-08 3.704e-08 -7.468 -7.431 0.037 -14.14
(CO2)2 3.892e-12 4.234e-12 -11.410 -11.373 0.037 68.67
Ca 2.580e-02
Ca+2 2.377e-02 6.596e-03 -1.624 -2.181 -0.557 -17.02
CaSO4 1.991e-03 2.166e-03 -2.701 -2.664 0.037 7.42
@ -524,7 +525,7 @@ Sr 5.050e-04
Aragonite -0.18 -8.50 -8.32 CaCO3
Calcite -0.03 -8.50 -8.47 CaCO3
Celestite 0.03 -6.62 -6.65 SrSO4
CO2(g) -3.37 -4.80 -1.44 CO2
CO2(g) -3.36 -4.80 -1.44 CO2
Dolomite -0.11 -17.15 -17.04 CaMg(CO3)2
Gypsum -0.34 -4.92 -4.58 CaSO4:2H2O
H2(g) -41.48 -44.58 -3.10 H2
@ -961,6 +962,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
END
END
-------------------------------
End of Run after 18.62 Seconds.
End of Run after 18.77 Seconds.
-------------------------------

7693
ex22.out
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File diff suppressed because it is too large Load Diff

2
ex2b.out
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@ -24,6 +24,6 @@ Reading input data for simulation 1.
PRINT
reset false
------------------------------
End of Run after 0.03 Seconds.
End of Run after 0.04 Seconds.
------------------------------

435
ex3.out
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@ -104,57 +104,58 @@ Using pure phase assemblage 1.
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
CO2(g) -2.00 -3.46 -1.46 1.000e+01 9.998e+00 -1.991e-03
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.655e-03
CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.646e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 3.646e-03 3.646e-03
Ca 1.655e-03 1.655e-03
C 3.622e-03 3.622e-03
Ca 1.646e-03 1.646e-03
----------------------------Description of solution----------------------------
pH = 7.292 Charge balance
pe = -1.570 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 308
pH = 7.297 Charge balance
pe = -1.575 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 306
Density (g/cm³) = 0.99726
Volume (L) = 1.00300
Activity of water = 1.000
Ionic strength = 4.853e-03
Ionic strength = 4.826e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.310e-03
Total CO2 (mol/kg) = 3.646e-03
Total alkalinity (eq/kg) = 3.291e-03
Total CO2 (mol/kg) = 3.622e-03
Temperature (°C) = 25.00
Electrical balance (eq) = -1.217e-09
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
Iterations = 17
Total H = 1.110124e+02
Total O = 5.551516e+01
Total O = 5.551511e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 2.141e-07 1.985e-07 -6.669 -6.702 -0.033 -4.07
H+ 5.457e-08 5.100e-08 -7.263 -7.292 -0.029 0.00
OH- 2.162e-07 2.005e-07 -6.665 -6.698 -0.033 -4.07
H+ 5.401e-08 5.048e-08 -7.268 -7.297 -0.029 0.00
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
C(-4) 1.416e-25
CH4 1.416e-25 1.417e-25 -24.849 -24.849 0.000 32.22
C(4) 3.646e-03
HCO3- 3.242e-03 3.014e-03 -2.489 -2.521 -0.032 24.73
CO2 3.452e-04 3.456e-04 -3.462 -3.461 0.000 29.09
CaHCO3+ 4.938e-05 4.596e-05 -4.306 -4.338 -0.031 9.70
C(-4) 1.394e-25
CH4 1.394e-25 1.395e-25 -24.856 -24.855 0.000 35.46
C(4) 3.622e-03
HCO3- 3.224e-03 2.998e-03 -2.492 -2.523 -0.032 24.73
CO2 3.399e-04 3.403e-04 -3.469 -3.468 0.000 34.43
CaHCO3+ 4.887e-05 4.549e-05 -4.311 -4.342 -0.031 9.70
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
CO3-2 3.709e-06 2.772e-06 -5.431 -5.557 -0.126 -5.13
Ca 1.655e-03
Ca+2 1.600e-03 1.195e-03 -2.796 -2.923 -0.127 -18.02
CaHCO3+ 4.938e-05 4.596e-05 -4.306 -4.338 -0.031 9.70
CO3-2 3.724e-06 2.785e-06 -5.429 -5.555 -0.126 -5.13
(CO2)2 2.123e-09 2.125e-09 -8.673 -8.673 0.000 68.87
Ca 1.646e-03
Ca+2 1.591e-03 1.189e-03 -2.798 -2.925 -0.126 -18.02
CaHCO3+ 4.887e-05 4.549e-05 -4.311 -4.342 -0.031 9.70
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
CaOH+ 4.191e-09 3.889e-09 -8.378 -8.410 -0.032 (0)
H(0) 5.083e-15
CaOH+ 4.213e-09 3.910e-09 -8.375 -8.408 -0.032 (0)
H(0) 5.084e-15
H2 2.542e-15 2.545e-15 -14.595 -14.594 0.000 28.61
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -63.192 -63.191 0.000 30.40
@ -165,8 +166,8 @@ O(0) 0.000e+00
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -22.01 -24.85 -2.84 CH4
CO2(g) -2.00 -3.46 -1.46 CO2 Pressure 0.0 atm, phi 1.000
CH4(g) -22.05 -24.86 -2.80 CH4
CO2(g) -2.00 -3.47 -1.47 CO2 Pressure 0.0 atm, phi 1.000
H2(g) -11.49 -14.59 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
O2(g) -60.30 -63.19 -2.89 O2
@ -259,7 +260,8 @@ C(4) 2.182e-03
CaHCO3+ 4.454e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
CO3-2 3.753e-05 7.804e-06 -4.426 -5.108 -0.682 -1.97
CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
CO2 1.186e-05 1.385e-05 -4.926 -4.858 0.067 29.09
CO2 1.186e-05 1.385e-05 -4.926 -4.858 0.067 34.43
(CO2)2 3.016e-12 3.523e-12 -11.521 -11.453 0.067 68.87
Ca 1.066e-02
Ca+2 9.634e-03 2.409e-03 -2.016 -2.618 -0.602 -16.69
CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
@ -310,7 +312,7 @@ Si 7.382e-05
Calcite 0.75 -7.73 -8.48 CaCO3
Chalcedony -0.52 -4.07 -3.55 SiO2
Chrysotile 3.36 35.56 32.20 Mg3Si2O5(OH)4
CO2(g) -3.40 -4.86 -1.46 CO2
CO2(g) -3.39 -4.86 -1.47 CO2
Dolomite 2.39 -14.70 -17.09 CaMg(CO3)2
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
H2(g) -33.39 -36.49 -3.10 H2
@ -364,8 +366,8 @@ Mixture 1.
Elements Molality Moles
C 3.207e-03 3.206e-03
Ca 4.357e-03 4.357e-03
C 3.190e-03 3.190e-03
Ca 4.350e-03 4.350e-03
Cl 1.697e-01 1.697e-01
K 3.173e-03 3.173e-03
Mg 1.652e-02 1.652e-02
@ -375,113 +377,114 @@ Mixture 1.
----------------------------Description of solution----------------------------
pH = 7.343 Charge balance
pe = -1.828 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18734
pH = 7.349 Charge balance
pe = -1.871 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18733
Density (g/cm³) = 1.00525
Volume (L) = 1.00580
Activity of water = 0.994
Ionic strength = 2.088e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.039e-03
Total CO2 (mol/kg) = 3.207e-03
Total alkalinity (eq/kg) = 3.026e-03
Total CO2 (mol/kg) = 3.190e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 12
Total H = 1.110131e+02
Total O = 5.554964e+01
Total O = 5.554960e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.151e-07 2.216e-07 -6.502 -6.654 -0.153 -3.48
H+ 5.704e-08 4.540e-08 -7.244 -7.343 -0.099 0.00
OH- 3.194e-07 2.247e-07 -6.496 -6.648 -0.153 -3.48
H+ 5.626e-08 4.478e-08 -7.250 -7.349 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 3.683e-24
CH4 3.683e-24 3.864e-24 -23.434 -23.413 0.021 32.22
C(4) 3.207e-03
HCO3- 2.669e-03 1.984e-03 -2.574 -2.702 -0.129 25.56
CO2 1.942e-04 2.038e-04 -3.712 -3.691 0.021 29.09
MgHCO3+ 1.610e-04 1.151e-04 -3.793 -3.939 -0.146 5.72
NaHCO3 1.145e-04 1.201e-04 -3.941 -3.920 0.021 1.80
CaHCO3+ 4.236e-05 3.194e-05 -4.373 -4.496 -0.123 9.88
MgCO3 9.243e-06 9.698e-06 -5.034 -5.013 0.021 -17.09
CO3-2 6.708e-06 2.050e-06 -5.173 -5.688 -0.515 -3.57
NaCO3- 5.517e-06 4.109e-06 -5.258 -5.386 -0.128 0.35
CaCO3 4.140e-06 4.344e-06 -5.383 -5.362 0.021 -14.60
Ca 4.357e-03
Ca+2 3.972e-03 1.262e-03 -2.401 -2.899 -0.498 -17.20
CaSO4 3.386e-04 3.553e-04 -3.470 -3.449 0.021 7.50
CaHCO3+ 4.236e-05 3.194e-05 -4.373 -4.496 -0.123 9.88
CaCO3 4.140e-06 4.344e-06 -5.383 -5.362 0.021 -14.60
CaOH+ 6.156e-09 4.584e-09 -8.211 -8.339 -0.128 (0)
CaHSO4+ 1.424e-10 1.060e-10 -9.847 -9.975 -0.128 (0)
C(-4) 7.184e-24
CH4 7.184e-24 7.538e-24 -23.144 -23.123 0.021 35.46
C(4) 3.190e-03
HCO3- 2.657e-03 1.975e-03 -2.576 -2.704 -0.129 25.56
CO2 1.907e-04 2.001e-04 -3.720 -3.699 0.021 34.43
MgHCO3+ 1.603e-04 1.146e-04 -3.795 -3.941 -0.146 5.72
NaHCO3 1.140e-04 1.196e-04 -3.943 -3.922 0.021 1.80
CaHCO3+ 4.211e-05 3.175e-05 -4.376 -4.498 -0.123 9.88
MgCO3 9.329e-06 9.789e-06 -5.030 -5.009 0.021 -17.09
CO3-2 6.770e-06 2.069e-06 -5.169 -5.684 -0.515 -3.57
NaCO3- 5.569e-06 4.147e-06 -5.254 -5.382 -0.128 0.35
CaCO3 4.172e-06 4.378e-06 -5.380 -5.359 0.021 -14.60
(CO2)2 7.003e-10 7.347e-10 -9.155 -9.134 0.021 68.87
Ca 4.350e-03
Ca+2 3.966e-03 1.260e-03 -2.402 -2.900 -0.498 -17.20
CaSO4 3.381e-04 3.548e-04 -3.471 -3.450 0.021 7.50
CaHCO3+ 4.211e-05 3.175e-05 -4.376 -4.498 -0.123 9.88
CaCO3 4.172e-06 4.378e-06 -5.380 -5.359 0.021 -14.60
CaOH+ 6.232e-09 4.641e-09 -8.205 -8.333 -0.128 (0)
CaHSO4+ 1.402e-10 1.044e-10 -9.853 -9.981 -0.128 (0)
Cl 1.697e-01
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
H(0) 1.261e-14
H2 6.306e-15 6.616e-15 -14.200 -14.179 0.021 28.61
H(0) 1.497e-14
H2 7.486e-15 7.855e-15 -14.126 -14.105 0.021 28.61
K 3.173e-03
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.35
KSO4- 3.330e-05 2.476e-05 -4.478 -4.606 -0.129 34.51
Mg 1.652e-02
Mg+2 1.460e-02 4.958e-03 -1.836 -2.305 -0.469 -20.91
MgSO4 1.754e-03 1.841e-03 -2.756 -2.735 0.021 5.84
MgHCO3+ 1.610e-04 1.151e-04 -3.793 -3.939 -0.146 5.72
MgCO3 9.243e-06 9.698e-06 -5.034 -5.013 0.021 -17.09
MgOH+ 5.172e-07 3.942e-07 -6.286 -6.404 -0.118 (0)
MgHCO3+ 1.603e-04 1.146e-04 -3.795 -3.941 -0.146 5.72
MgCO3 9.329e-06 9.789e-06 -5.030 -5.009 0.021 -17.09
MgOH+ 5.244e-07 3.997e-07 -6.280 -6.398 -0.118 (0)
Na 1.456e-01
Na+ 1.444e-01 1.077e-01 -0.841 -0.968 -0.127 -0.92
NaSO4- 1.149e-03 8.544e-04 -2.940 -3.068 -0.129 17.65
NaHCO3 1.145e-04 1.201e-04 -3.941 -3.920 0.021 1.80
NaCO3- 5.517e-06 4.109e-06 -5.258 -5.386 -0.128 0.35
NaOH 2.274e-18 2.386e-18 -17.643 -17.622 0.021 (0)
NaSO4- 1.149e-03 8.545e-04 -2.940 -3.068 -0.129 17.65
NaHCO3 1.140e-04 1.196e-04 -3.943 -3.922 0.021 1.80
NaCO3- 5.569e-06 4.147e-06 -5.254 -5.382 -0.128 0.35
NaOH 2.305e-18 2.419e-18 -17.637 -17.616 0.021 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -64.047 -64.026 0.021 30.40
S(-2) 4.516e-21
HS- 3.567e-21 2.509e-21 -20.448 -20.600 -0.153 21.00
H2S 9.492e-22 9.960e-22 -21.023 -21.002 0.021 37.16
S-2 2.275e-26 6.675e-27 -25.643 -26.176 -0.533 (0)
O2 0.000e+00 0.000e+00 -64.196 -64.175 0.021 30.40
S(-2) 8.824e-21
HS- 6.990e-21 4.917e-21 -20.156 -20.308 -0.153 21.00
H2S 1.835e-21 1.925e-21 -20.736 -20.716 0.021 37.16
S-2 4.520e-26 1.326e-26 -25.345 -25.877 -0.533 (0)
S(6) 8.777e-03
SO4-2 5.502e-03 1.584e-03 -2.259 -2.800 -0.541 16.12
MgSO4 1.754e-03 1.841e-03 -2.756 -2.735 0.021 5.84
NaSO4- 1.149e-03 8.544e-04 -2.940 -3.068 -0.129 17.65
CaSO4 3.386e-04 3.553e-04 -3.470 -3.449 0.021 7.50
NaSO4- 1.149e-03 8.545e-04 -2.940 -3.068 -0.129 17.65
CaSO4 3.381e-04 3.548e-04 -3.471 -3.450 0.021 7.50
KSO4- 3.330e-05 2.476e-05 -4.478 -4.606 -0.129 34.51
HSO4- 9.386e-09 6.990e-09 -8.028 -8.156 -0.128 40.66
CaHSO4+ 1.424e-10 1.060e-10 -9.847 -9.975 -0.128 (0)
HSO4- 9.259e-09 6.895e-09 -8.033 -8.161 -0.128 40.66
CaHSO4+ 1.402e-10 1.044e-10 -9.853 -9.981 -0.128 (0)
Si 2.215e-05
H4SiO4 2.204e-05 2.313e-05 -4.657 -4.636 0.021 52.08
H3SiO4- 1.050e-07 7.511e-08 -6.979 -7.124 -0.146 28.38
H2SiO4-2 3.683e-13 1.125e-13 -12.434 -12.949 -0.515 (0)
H3SiO4- 1.065e-07 7.615e-08 -6.973 -7.118 -0.146 28.38
H2SiO4-2 3.785e-13 1.157e-13 -12.422 -12.937 -0.515 (0)
------------------------------Saturation indices-------------------------------
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -1.42 -5.70 -4.28 CaSO4
Aragonite -0.25 -8.59 -8.34 CaCO3
Calcite -0.11 -8.59 -8.48 CaCO3
CH4(g) -20.57 -23.41 -2.84 CH4
Aragonite -0.25 -8.58 -8.34 CaCO3
Calcite -0.10 -8.58 -8.48 CaCO3
CH4(g) -20.32 -23.12 -2.80 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -4.33 27.87 32.20 Mg3Si2O5(OH)4
CO2(g) -2.23 -3.69 -1.46 CO2
Dolomite 0.51 -16.58 -17.09 CaMg(CO3)2
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
H2(g) -11.08 -14.18 -3.10 H2
Chrysotile -4.30 27.91 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 -1.12 -5.71 -4.58 CaSO4:2H2O
H2(g) -11.00 -14.10 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
H2S(g) -19.95 -27.94 -7.99 H2S
H2S(g) -19.66 -27.66 -7.99 H2S
Halite -3.46 -1.89 1.57 NaCl
O2(g) -61.13 -64.03 -2.89 O2
O2(g) -61.28 -64.18 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -4.90 10.86 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.80 10.86 18.66 Mg2Si3O7.5OH:3H2O
Sepiolite -4.88 10.88 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.78 10.88 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -14.85 -9.97 4.88 S
Sulfur -14.64 -9.76 4.88 S
Sylvite -4.47 -3.57 0.90 KCl
Talc -2.79 18.61 21.40 Mg3Si4O10(OH)2
Talc -2.75 18.65 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
@ -520,105 +523,106 @@ Using pure phase assemblage 1.
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.560e-02
Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.881e-03
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.561e-02
Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.884e-03
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 3.046e-03 3.046e-03
Ca 1.208e-02 1.208e-02
C 3.029e-03 3.029e-03
Ca 1.207e-02 1.207e-02
Cl 1.697e-01 1.697e-01
K 3.173e-03 3.173e-03
Mg 8.639e-03 8.639e-03
Mg 8.636e-03 8.636e-03
Na 1.456e-01 1.456e-01
S 8.777e-03 8.777e-03
Si 2.215e-05 2.215e-05
----------------------------Description of solution----------------------------
pH = 7.053 Charge balance
pe = -1.710 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18785
pH = 7.055 Charge balance
pe = -1.695 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18784
Density (g/cm³) = 1.00533
Volume (L) = 1.00583
Activity of water = 0.994
Ionic strength = 2.091e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 2.718e-03
Total CO2 (mol/kg) = 3.046e-03
Total alkalinity (eq/kg) = 2.705e-03
Total CO2 (mol/kg) = 3.029e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 5
Total H = 1.110131e+02
Total O = 5.554916e+01
Total O = 5.554912e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 1.616e-07 1.137e-07 -6.791 -6.944 -0.153 -3.48
H+ 1.112e-07 8.850e-08 -6.954 -7.053 -0.099 0.00
OH- 1.625e-07 1.143e-07 -6.789 -6.942 -0.153 -3.48
H+ 1.106e-07 8.804e-08 -6.956 -7.055 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 1.540e-22
CH4 1.540e-22 1.616e-22 -21.812 -21.792 0.021 32.22
C(4) 3.046e-03
HCO3- 2.407e-03 1.789e-03 -2.619 -2.747 -0.129 25.56
CO2 3.413e-04 3.582e-04 -3.467 -3.446 0.021 29.09
CaHCO3+ 1.058e-04 7.976e-05 -3.976 -4.098 -0.123 9.88
NaHCO3 1.032e-04 1.083e-04 -3.986 -3.965 0.021 1.80
MgHCO3+ 7.578e-05 5.418e-05 -4.120 -4.266 -0.146 5.72
C(-4) 1.091e-22
CH4 1.091e-22 1.145e-22 -21.962 -21.941 0.021 35.46
C(4) 3.029e-03
HCO3- 2.395e-03 1.780e-03 -2.621 -2.749 -0.129 25.56
CO2 3.379e-04 3.545e-04 -3.471 -3.450 0.021 34.43
CaHCO3+ 1.052e-04 7.934e-05 -3.978 -4.101 -0.123 9.88
NaHCO3 1.027e-04 1.078e-04 -3.988 -3.968 0.021 1.80
MgHCO3+ 7.538e-05 5.390e-05 -4.123 -4.268 -0.146 5.72
CaCO3 5.303e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
CO3-2 3.104e-06 9.482e-07 -5.508 -6.023 -0.515 -3.57
NaCO3- 2.552e-06 1.900e-06 -5.593 -5.721 -0.128 0.35
CO3-2 3.105e-06 9.484e-07 -5.508 -6.023 -0.515 -3.57
NaCO3- 2.553e-06 1.901e-06 -5.593 -5.721 -0.128 0.35
MgCO3 2.231e-06 2.341e-06 -5.651 -5.631 0.021 -17.09
Ca 1.208e-02
Ca+2 1.100e-02 3.494e-03 -1.958 -2.457 -0.498 -17.19
CaSO4 9.636e-04 1.011e-03 -3.016 -2.995 0.021 7.50
CaHCO3+ 1.058e-04 7.976e-05 -3.976 -4.098 -0.123 9.88
(CO2)2 2.198e-09 2.307e-09 -8.658 -8.637 0.021 68.87
Ca 1.207e-02
Ca+2 1.100e-02 3.493e-03 -1.959 -2.457 -0.498 -17.19
CaSO4 9.634e-04 1.011e-03 -3.016 -2.995 0.021 7.50
CaHCO3+ 1.052e-04 7.934e-05 -3.978 -4.101 -0.123 9.88
CaCO3 5.303e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
CaOH+ 8.745e-09 6.512e-09 -8.058 -8.186 -0.128 (0)
CaHSO4+ 7.899e-10 5.882e-10 -9.102 -9.230 -0.128 (0)
CaOH+ 8.789e-09 6.545e-09 -8.056 -8.184 -0.128 (0)
CaHSO4+ 7.856e-10 5.850e-10 -9.105 -9.233 -0.128 (0)
Cl 1.697e-01
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
H(0) 2.785e-14
H2 1.393e-14 1.461e-14 -13.856 -13.835 0.021 28.61
H(0) 2.562e-14
H2 1.281e-14 1.344e-14 -13.892 -13.872 0.021 28.61
K 3.173e-03
K+ 3.139e-03 2.224e-03 -2.503 -2.653 -0.150 9.35
KSO4- 3.421e-05 2.543e-05 -4.466 -4.595 -0.129 34.51
Mg 8.639e-03
Mg+2 7.620e-03 2.588e-03 -2.118 -2.587 -0.469 -20.91
MgSO4 9.410e-04 9.874e-04 -3.026 -3.006 0.021 5.84
MgHCO3+ 7.578e-05 5.418e-05 -4.120 -4.266 -0.146 5.72
Mg 8.636e-03
Mg+2 7.618e-03 2.587e-03 -2.118 -2.587 -0.469 -20.91
MgSO4 9.408e-04 9.872e-04 -3.027 -3.006 0.021 5.84
MgHCO3+ 7.538e-05 5.390e-05 -4.123 -4.268 -0.146 5.72
MgCO3 2.231e-06 2.341e-06 -5.651 -5.631 0.021 -17.09
MgOH+ 1.385e-07 1.055e-07 -6.859 -6.977 -0.118 (0)
MgOH+ 1.392e-07 1.061e-07 -6.856 -6.974 -0.118 (0)
Na 1.456e-01
Na+ 1.443e-01 1.076e-01 -0.841 -0.968 -0.127 -0.92
NaSO4- 1.181e-03 8.780e-04 -2.928 -3.057 -0.129 17.65
NaHCO3 1.032e-04 1.083e-04 -3.986 -3.965 0.021 1.80
NaCO3- 2.552e-06 1.900e-06 -5.593 -5.721 -0.128 0.35
NaOH 1.166e-18 1.224e-18 -17.933 -17.912 0.021 (0)
NaSO4- 1.181e-03 8.780e-04 -2.928 -3.056 -0.129 17.65
NaHCO3 1.027e-04 1.078e-04 -3.988 -3.968 0.021 1.80
NaCO3- 2.553e-06 1.901e-06 -5.593 -5.721 -0.128 0.35
NaOH 1.172e-18 1.230e-18 -17.931 -17.910 0.021 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -64.736 -64.715 0.021 30.40
S(-2) 2.582e-19
HS- 1.700e-19 1.196e-19 -18.769 -18.922 -0.153 21.00
H2S 8.819e-20 9.254e-20 -19.055 -19.034 0.021 37.16
S-2 5.565e-25 1.632e-25 -24.255 -24.787 -0.533 (0)
O2 0.000e+00 0.000e+00 -64.663 -64.642 0.021 30.40
S(-2) 1.836e-19
HS- 1.211e-19 8.519e-20 -18.917 -19.070 -0.153 21.00
H2S 6.249e-20 6.557e-20 -19.204 -19.183 0.021 37.16
S-2 3.985e-25 1.169e-25 -24.400 -24.932 -0.533 (0)
S(6) 8.777e-03
SO4-2 5.658e-03 1.628e-03 -2.247 -2.788 -0.541 16.12
NaSO4- 1.181e-03 8.780e-04 -2.928 -3.057 -0.129 17.65
CaSO4 9.636e-04 1.011e-03 -3.016 -2.995 0.021 7.50
MgSO4 9.410e-04 9.874e-04 -3.026 -3.006 0.021 5.84
NaSO4- 1.181e-03 8.780e-04 -2.928 -3.056 -0.129 17.65
CaSO4 9.634e-04 1.011e-03 -3.016 -2.995 0.021 7.50
MgSO4 9.408e-04 9.872e-04 -3.027 -3.006 0.021 5.84
KSO4- 3.421e-05 2.543e-05 -4.466 -4.595 -0.129 34.51
HSO4- 1.881e-08 1.400e-08 -7.726 -7.854 -0.128 40.66
CaHSO4+ 7.899e-10 5.882e-10 -9.102 -9.230 -0.128 (0)
HSO4- 1.871e-08 1.393e-08 -7.728 -7.856 -0.128 40.66
CaHSO4+ 7.856e-10 5.850e-10 -9.105 -9.233 -0.128 (0)
Si 2.215e-05
H4SiO4 2.209e-05 2.318e-05 -4.656 -4.635 0.021 52.08
H3SiO4- 5.402e-08 3.862e-08 -7.267 -7.413 -0.146 28.38
H2SiO4-2 9.719e-14 2.969e-14 -13.012 -13.527 -0.515 (0)
H3SiO4- 5.430e-08 3.883e-08 -7.265 -7.411 -0.146 28.38
H2SiO4-2 9.822e-14 3.000e-14 -13.008 -13.523 -0.515 (0)
------------------------------Saturation indices-------------------------------
@ -627,24 +631,24 @@ Si 2.215e-05
Anhydrite -0.97 -5.25 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -18.95 -21.79 -2.84 CH4
CH4(g) -19.14 -21.94 -2.80 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -6.92 25.28 32.20 Mg3Si2O5(OH)4
CO2(g) -1.98 -3.45 -1.46 CO2
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 -0.67 -5.25 -4.58 CaSO4:2H2O
H2(g) -10.73 -13.84 -3.10 H2
H2(g) -10.77 -13.87 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
H2S(g) -17.98 -25.98 -7.99 H2S
H2S(g) -18.13 -26.12 -7.99 H2S
Halite -3.46 -1.89 1.57 NaCl
O2(g) -61.82 -64.71 -2.89 O2
O2(g) -61.75 -64.64 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -6.63 9.13 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -9.53 9.13 18.66 Mg2Si3O7.5OH:3H2O
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 -13.23 -8.35 4.88 S
Sulfur -13.34 -8.46 4.88 S
Sylvite -4.47 -3.57 0.90 KCl
Talc -5.37 16.03 21.40 Mg3Si4O10(OH)2
Talc -5.36 16.04 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.
@ -682,14 +686,14 @@ Using pure phase assemblage 2.
Moles in assemblage
Phase SI log IAP log K(T, P) Initial Final Delta
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.138e-05
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.968e-05
-----------------------------Solution composition------------------------------
Elements Molality Moles
C 3.248e-03 3.248e-03
Ca 4.398e-03 4.398e-03
C 3.229e-03 3.229e-03
Ca 4.390e-03 4.390e-03
Cl 1.697e-01 1.697e-01
K 3.173e-03 3.173e-03
Mg 1.652e-02 1.652e-02
@ -699,87 +703,88 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.138e-05
----------------------------Description of solution----------------------------
pH = 7.437 Charge balance
pe = -2.095 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18738
pH = 7.440 Charge balance
pe = -2.079 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 18737
Density (g/cm³) = 1.00525
Volume (L) = 1.00580
Activity of water = 0.994
Ionic strength = 2.089e-01
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 3.122e-03
Total CO2 (mol/kg) = 3.248e-03
Total alkalinity (eq/kg) = 3.105e-03
Total CO2 (mol/kg) = 3.229e-03
Temperature (°C) = 25.00
Electrical balance (eq) = 2.390e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
Iterations = 3
Total H = 1.110131e+02
Total O = 5.554977e+01
Total O = 5.554972e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
OH- 3.911e-07 2.751e-07 -6.408 -6.560 -0.153 -3.48
H+ 4.595e-08 3.657e-08 -7.338 -7.437 -0.099 0.00
OH- 3.940e-07 2.771e-07 -6.405 -6.557 -0.153 -3.48
H+ 4.562e-08 3.631e-08 -7.341 -7.440 -0.099 0.00
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
C(-4) 7.346e-23
CH4 7.346e-23 7.708e-23 -22.134 -22.113 0.021 32.22
C(4) 3.248e-03
HCO3- 2.730e-03 2.030e-03 -2.564 -2.693 -0.129 25.56
MgHCO3+ 1.646e-04 1.177e-04 -3.784 -3.929 -0.146 5.72
CO2 1.600e-04 1.679e-04 -3.796 -3.775 0.021 29.09
NaHCO3 1.171e-04 1.229e-04 -3.931 -3.911 0.021 1.80
CaHCO3+ 4.371e-05 3.296e-05 -4.359 -4.482 -0.123 9.88
MgCO3 1.173e-05 1.231e-05 -4.931 -4.910 0.021 -17.09
CO3-2 8.518e-06 2.603e-06 -5.070 -5.585 -0.515 -3.57
NaCO3- 7.005e-06 5.217e-06 -5.155 -5.283 -0.128 0.35
C(-4) 5.084e-23
CH4 5.084e-23 5.334e-23 -22.294 -22.273 0.021 35.46
C(4) 3.229e-03
HCO3- 2.715e-03 2.019e-03 -2.566 -2.695 -0.129 25.56
MgHCO3+ 1.637e-04 1.171e-04 -3.786 -3.932 -0.146 5.72
CO2 1.580e-04 1.658e-04 -3.801 -3.780 0.021 34.43
NaHCO3 1.165e-04 1.222e-04 -3.934 -3.913 0.021 1.80
CaHCO3+ 4.340e-05 3.272e-05 -4.363 -4.485 -0.123 9.88
MgCO3 1.175e-05 1.233e-05 -4.930 -4.909 0.021 -17.09
CO3-2 8.533e-06 2.607e-06 -5.069 -5.584 -0.515 -3.57
NaCO3- 7.018e-06 5.226e-06 -5.154 -5.282 -0.128 0.35
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
Ca 4.398e-03
Ca+2 4.008e-03 1.273e-03 -2.397 -2.895 -0.498 -17.20
CaSO4 3.415e-04 3.583e-04 -3.467 -3.446 0.021 7.50
CaHCO3+ 4.371e-05 3.296e-05 -4.359 -4.482 -0.123 9.88
(CO2)2 4.808e-10 5.045e-10 -9.318 -9.297 0.021 68.87
Ca 4.390e-03
Ca+2 4.000e-03 1.271e-03 -2.398 -2.896 -0.498 -17.20
CaSO4 3.409e-04 3.577e-04 -3.467 -3.446 0.021 7.50
CaHCO3+ 4.340e-05 3.272e-05 -4.363 -4.485 -0.123 9.88
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
CaOH+ 7.710e-09 5.742e-09 -8.113 -8.241 -0.128 (0)
CaHSO4+ 1.157e-10 8.614e-11 -9.937 -10.065 -0.128 (0)
CaOH+ 7.752e-09 5.773e-09 -8.111 -8.239 -0.128 (0)
CaHSO4+ 1.146e-10 8.537e-11 -9.941 -10.069 -0.128 (0)
Cl 1.697e-01
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
H(0) 2.797e-14
H2 1.399e-14 1.468e-14 -13.854 -13.833 0.021 28.61
H(0) 2.560e-14
H2 1.280e-14 1.343e-14 -13.893 -13.872 0.021 28.61
K 3.173e-03
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.35
KSO4- 3.328e-05 2.475e-05 -4.478 -4.607 -0.129 34.51
KSO4- 3.329e-05 2.475e-05 -4.478 -4.606 -0.129 34.51
Mg 1.652e-02
Mg+2 1.459e-02 4.956e-03 -1.836 -2.305 -0.469 -20.91
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 5.84
MgHCO3+ 1.646e-04 1.177e-04 -3.784 -3.929 -0.146 5.72
MgCO3 1.173e-05 1.231e-05 -4.931 -4.910 0.021 -17.09
MgOH+ 6.418e-07 4.891e-07 -6.193 -6.311 -0.118 (0)
MgHCO3+ 1.637e-04 1.171e-04 -3.786 -3.932 -0.146 5.72
MgCO3 1.175e-05 1.233e-05 -4.930 -4.909 0.021 -17.09
MgOH+ 6.464e-07 4.927e-07 -6.189 -6.307 -0.118 (0)
Na 1.456e-01
Na+ 1.444e-01 1.076e-01 -0.841 -0.968 -0.127 -0.92
NaSO4- 1.149e-03 8.541e-04 -2.940 -3.069 -0.129 17.65
NaHCO3 1.171e-04 1.229e-04 -3.931 -3.911 0.021 1.80
NaCO3- 7.005e-06 5.217e-06 -5.155 -5.283 -0.128 0.35
NaOH 2.822e-18 2.962e-18 -17.549 -17.528 0.021 (0)
NaSO4- 1.149e-03 8.541e-04 -2.940 -3.068 -0.129 17.65
NaHCO3 1.165e-04 1.222e-04 -3.934 -3.913 0.021 1.80
NaCO3- 7.018e-06 5.226e-06 -5.154 -5.282 -0.128 0.35
NaOH 2.843e-18 2.983e-18 -17.546 -17.525 0.021 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -64.739 -64.718 0.021 30.40
S(-2) 8.445e-20
HS- 6.954e-20 4.891e-20 -19.158 -19.311 -0.153 21.00
H2S 1.491e-20 1.564e-20 -19.827 -19.806 0.021 37.16
S-2 5.507e-25 1.615e-25 -24.259 -24.792 -0.533 (0)
O2 0.000e+00 0.000e+00 -64.662 -64.641 0.021 30.40
S(-2) 5.869e-20
HS- 4.839e-20 3.404e-20 -19.315 -19.468 -0.153 21.00
H2S 1.030e-20 1.081e-20 -19.987 -19.966 0.021 37.16
S-2 3.859e-25 1.132e-25 -24.413 -24.946 -0.533 (0)
S(6) 8.777e-03
SO4-2 5.501e-03 1.583e-03 -2.260 -2.801 -0.541 16.12
SO4-2 5.501e-03 1.583e-03 -2.260 -2.800 -0.541 16.12
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 5.84
NaSO4- 1.149e-03 8.541e-04 -2.940 -3.069 -0.129 17.65
CaSO4 3.415e-04 3.583e-04 -3.467 -3.446 0.021 7.50
KSO4- 3.328e-05 2.475e-05 -4.478 -4.607 -0.129 34.51
HSO4- 7.559e-09 5.629e-09 -8.122 -8.250 -0.128 40.66
CaHSO4+ 1.157e-10 8.614e-11 -9.937 -10.065 -0.128 (0)
NaSO4- 1.149e-03 8.541e-04 -2.940 -3.068 -0.129 17.65
CaSO4 3.409e-04 3.577e-04 -3.467 -3.446 0.021 7.50
KSO4- 3.329e-05 2.475e-05 -4.478 -4.606 -0.129 34.51
HSO4- 7.505e-09 5.589e-09 -8.125 -8.253 -0.128 40.66
CaHSO4+ 1.146e-10 8.537e-11 -9.941 -10.069 -0.128 (0)
Si 2.215e-05
H4SiO4 2.202e-05 2.310e-05 -4.657 -4.636 0.021 52.08
H3SiO4- 1.303e-07 9.314e-08 -6.885 -7.031 -0.146 28.37
H2SiO4-2 5.670e-13 1.732e-13 -12.246 -12.761 -0.515 (0)
H3SiO4- 1.312e-07 9.381e-08 -6.882 -7.028 -0.146 28.37
H2SiO4-2 5.752e-13 1.757e-13 -12.240 -12.755 -0.515 (0)
------------------------------Saturation indices-------------------------------
@ -788,24 +793,24 @@ Si 2.215e-05
Anhydrite -1.42 -5.70 -4.28 CaSO4
Aragonite -0.14 -8.48 -8.34 CaCO3
Calcite 0.00 -8.48 -8.48 CaCO3
CH4(g) -19.27 -22.11 -2.84 CH4
CH4(g) -19.47 -22.27 -2.80 CH4
Chalcedony -1.08 -4.63 -3.55 SiO2
Chrysotile -3.77 28.43 32.20 Mg3Si2O5(OH)4
CO2(g) -2.31 -3.77 -1.46 CO2
Chrysotile -3.75 28.45 32.20 Mg3Si2O5(OH)4
CO2(g) -2.31 -3.78 -1.47 CO2
Dolomite 0.72 -16.37 -17.09 CaMg(CO3)2
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
H2(g) -10.73 -13.83 -3.10 H2
H2(g) -10.77 -13.87 -3.10 H2
H2O(g) -1.51 -0.00 1.50 H2O
H2S(g) -18.76 -26.75 -7.99 H2S
H2S(g) -18.92 -26.91 -7.99 H2S
Halite -3.46 -1.89 1.57 NaCl
O2(g) -61.83 -64.72 -2.89 O2
O2(g) -61.75 -64.64 -2.89 O2
Quartz -0.65 -4.63 -3.98 SiO2
Sepiolite -4.53 11.23 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.43 11.23 18.66 Mg2Si3O7.5OH:3H2O
Sepiolite -4.52 11.24 15.76 Mg2Si3O7.5OH:3H2O
Sepiolite(d) -7.42 11.24 18.66 Mg2Si3O7.5OH:3H2O
SiO2(a) -1.92 -4.63 -2.71 SiO2
Sulfur -14.00 -9.12 4.88 S
Sulfur -14.13 -9.24 4.88 S
Sylvite -4.47 -3.57 0.90 KCl
Talc -2.23 19.17 21.40 Mg3Si4O10(OH)2
Talc -2.21 19.19 21.40 Mg3Si4O10(OH)2
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
For ideal gases, phi = 1.

153
ex4.out
View File

@ -54,7 +54,7 @@ Initial solution 1. Precipitation from Central Oklahoma
Elements Molality Moles
C(4) 1.109e-05 1.109e-05 Equilibrium with CO2(g)
C(4) 1.091e-05 1.091e-05 Equilibrium with CO2(g)
Ca 9.581e-06 9.581e-06
Cl 6.657e-06 6.657e-06
K 9.207e-07 9.207e-07
@ -75,7 +75,7 @@ Initial solution 1. Precipitation from Central Oklahoma
Ionic strength = 8.839e-05
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -3.185e-05
Total CO2 (mol/kg) = 1.109e-05
Total CO2 (mol/kg) = 1.091e-05
Temperature (°C) = 25.00
Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29
@ -97,23 +97,24 @@ Initial solution 1. Precipitation from Central Oklahoma
H+ 3.196e-05 3.162e-05 -4.495 -4.500 -0.005 0.00
OH- 3.236e-10 3.201e-10 -9.490 -9.495 -0.005 -4.13
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(4) 1.109e-05
CO2 1.093e-05 1.093e-05 -4.961 -4.961 0.000 29.09
HCO3- 1.554e-07 1.537e-07 -6.809 -6.813 -0.005 24.66
CaHCO3+ 1.815e-11 1.795e-11 -10.741 -10.746 -0.005 9.65
MgHCO3+ 3.071e-12 3.038e-12 -11.513 -11.517 -0.005 5.46
NaHCO3 5.244e-13 5.244e-13 -12.280 -12.280 0.000 1.80
CO3-2 2.381e-13 2.280e-13 -12.623 -12.642 -0.019 -5.36
CaCO3 3.506e-15 3.506e-15 -14.455 -14.455 0.000 -14.60
MgCO3 3.674e-16 3.674e-16 -15.435 -15.435 0.000 -17.09
NaCO3- 2.604e-17 2.575e-17 -16.584 -16.589 -0.005 -1.05
C(4) 1.091e-05
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43
HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.66
CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65
MgHCO3+ 3.023e-12 2.990e-12 -11.520 -11.524 -0.005 5.46
(CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87
NaHCO3 5.163e-13 5.163e-13 -12.287 -12.287 0.000 1.80
CO3-2 2.344e-13 2.244e-13 -12.630 -12.649 -0.019 -5.36
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
MgCO3 3.617e-16 3.617e-16 -15.442 -15.442 0.000 -17.09
NaCO3- 2.563e-17 2.535e-17 -16.591 -16.596 -0.005 -1.05
Ca 9.581e-06
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
CaHCO3+ 1.815e-11 1.795e-11 -10.741 -10.746 -0.005 9.65
CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0)
CaCO3 3.506e-15 3.506e-15 -14.455 -14.455 0.000 -14.60
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
Cl 6.657e-06
Cl- 6.657e-06 6.584e-06 -5.177 -5.181 -0.005 18.05
H(0) 1.416e-20
@ -124,9 +125,9 @@ K 9.207e-07
Mg 1.769e-06
Mg+2 1.764e-06 1.689e-06 -5.754 -5.772 -0.019 -21.90
MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 5.84
MgHCO3+ 3.071e-12 3.038e-12 -11.513 -11.517 -0.005 5.46
MgHCO3+ 3.023e-12 2.990e-12 -11.520 -11.524 -0.005 5.46
MgOH+ 1.960e-13 1.939e-13 -12.708 -12.712 -0.005 (0)
MgCO3 3.674e-16 3.674e-16 -15.435 -15.435 0.000 -17.09
MgCO3 3.617e-16 3.617e-16 -15.442 -15.442 0.000 -17.09
N(-3) 1.485e-05
NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 17.94
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 37.59
@ -136,8 +137,8 @@ N(5) 1.692e-05
Na 6.133e-06
Na+ 6.133e-06 6.066e-06 -5.212 -5.217 -0.005 -1.51
NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 13.56
NaHCO3 5.244e-13 5.244e-13 -12.280 -12.280 0.000 1.80
NaCO3- 2.604e-17 2.575e-17 -16.584 -16.589 -0.005 -1.05
NaHCO3 5.163e-13 5.163e-13 -12.287 -12.287 0.000 1.80
NaCO3- 2.563e-17 2.535e-17 -16.591 -16.596 -0.005 -1.05
NaOH 1.942e-25 1.942e-25 -24.712 -24.712 0.000 (0)
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40
@ -156,10 +157,10 @@ S(6) 1.353e-05
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -5.65 -9.93 -4.28 CaSO4
Aragonite -9.34 -17.68 -8.34 CaCO3
Calcite -9.20 -17.68 -8.48 CaCO3
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000
Dolomite -19.01 -36.10 -17.09 CaMg(CO3)2
Aragonite -9.35 -17.69 -8.34 CaCO3
Calcite -9.21 -17.69 -8.48 CaCO3
CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
Dolomite -19.02 -36.11 -17.09 CaMg(CO3)2
Gypsum -5.35 -9.93 -4.58 CaSO4:2H2O
H2(g) -17.05 -20.15 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
@ -198,7 +199,7 @@ Reaction 1.
Elements Molality Moles
C 2.216e-04 1.109e-05
C 2.182e-04 1.091e-05
Ca 1.916e-04 9.581e-06
Cl 1.331e-04 6.657e-06
K 1.841e-05 9.207e-07
@ -218,7 +219,7 @@ Reaction 1.
Ionic strength = 1.531e-03
Mass of water (kg) = 5.002e-02
Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.216e-04
Total CO2 (mol/kg) = 2.182e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
@ -231,28 +232,29 @@ Reaction 1.
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.405e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -136.687 -136.687 0.000 32.22
C(4) 2.216e-04
CO2 2.215e-04 2.216e-04 -3.655 -3.655 0.000 29.09
HCO3- 1.448e-07 1.387e-07 -6.839 -6.858 -0.019 24.69
CaHCO3+ 2.887e-10 2.766e-10 -9.540 -9.558 -0.019 9.68
MgHCO3+ 4.852e-11 4.644e-11 -10.314 -10.333 -0.019 5.48
NaHCO3 9.143e-12 9.146e-12 -11.039 -11.039 0.000 1.80
CO3-2 1.087e-14 9.151e-15 -13.964 -14.039 -0.075 -5.24
CaCO3 2.403e-15 2.404e-15 -14.619 -14.619 0.000 -14.60
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
NaCO3- 2.088e-17 1.999e-17 -16.680 -16.699 -0.019 -1.02
CH4 0.000e+00 0.000e+00 -136.694 -136.693 0.000 35.46
C(4) 2.182e-04
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.69
(CO2)2 8.730e-10 8.733e-10 -9.059 -9.059 0.000 68.87
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
MgHCO3+ 4.776e-11 4.572e-11 -10.321 -10.340 -0.019 5.48
NaHCO3 9.001e-12 9.004e-12 -11.046 -11.046 0.000 1.80
CO3-2 1.070e-14 9.007e-15 -13.971 -14.045 -0.075 -5.24
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
MgCO3 2.460e-16 2.460e-16 -15.609 -15.609 0.000 -17.09
NaCO3- 2.055e-17 1.967e-17 -16.687 -16.706 -0.019 -1.02
Ca 1.916e-04
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
CaHCO3+ 2.887e-10 2.766e-10 -9.540 -9.558 -0.019 9.68
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
CaCO3 2.403e-15 2.404e-15 -14.619 -14.619 0.000 -14.60
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
Cl 1.331e-04
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
H(0) 0.000e+00
@ -263,9 +265,9 @@ K 1.841e-05
Mg 3.536e-05
Mg+2 3.396e-05 2.863e-05 -4.469 -4.543 -0.074 -21.80
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
MgHCO3+ 4.852e-11 4.644e-11 -10.314 -10.333 -0.019 5.48
MgHCO3+ 4.776e-11 4.572e-11 -10.321 -10.340 -0.019 5.48
MgOH+ 1.526e-13 1.462e-13 -12.817 -12.835 -0.018 (0)
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
MgCO3 2.460e-16 2.460e-16 -15.609 -15.609 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.97
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
@ -279,9 +281,9 @@ N(5) 1.601e-04
Na 1.226e-04
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.47
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 13.80
NaHCO3 9.143e-12 9.146e-12 -11.039 -11.039 0.000 1.80
NaCO3- 2.088e-17 1.999e-17 -16.680 -16.699 -0.019 -1.02
NaOH 1.670e-25 1.671e-25 -24.777 -24.777 0.000 (0)
NaHCO3 9.001e-12 9.004e-12 -11.046 -11.046 0.000 1.80
NaCO3- 2.055e-17 1.967e-17 -16.687 -16.706 -0.019 -1.02
NaOH 1.670e-25 1.670e-25 -24.777 -24.777 0.000 (0)
O(0) 8.552e-08
O2 4.276e-08 4.277e-08 -7.369 -7.369 0.000 30.40
S(-2) 0.000e+00
@ -303,11 +305,11 @@ S(6) 2.706e-04
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -3.21 -7.49 -4.28 CaSO4
Aragonite -9.51 -17.84 -8.34 CaCO3
Calcite -9.36 -17.84 -8.48 CaCO3
CH4(g) -133.84 -136.69 -2.84 CH4
CO2(g) -2.19 -3.65 -1.46 CO2
Dolomite -19.34 -36.43 -17.09 CaMg(CO3)2
Aragonite -9.52 -17.85 -8.34 CaCO3
Calcite -9.37 -17.85 -8.48 CaCO3
CH4(g) -133.89 -136.69 -2.80 CH4
CO2(g) -2.19 -3.66 -1.47 CO2
Dolomite -19.35 -36.44 -17.09 CaMg(CO3)2
Gypsum -2.91 -7.49 -4.58 CaSO4:2H2O
H2(g) -39.40 -42.51 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O
@ -357,7 +359,7 @@ Mixture 1.
Elements Molality Moles
C 2.216e-04 2.217e-04
C 2.182e-04 2.183e-04
Ca 1.916e-04 1.916e-04
Cl 1.331e-04 1.331e-04
K 1.841e-05 1.841e-05
@ -377,41 +379,42 @@ Mixture 1.
Ionic strength = 1.531e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = -7.555e-04
Total CO2 (mol/kg) = 2.216e-04
Total CO2 (mol/kg) = 2.182e-04
Temperature (°C) = 25.00
Electrical balance (eq) = 5.162e-04
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
Iterations = 0
Total H = 1.110505e+02
Total O = 5.552688e+01
Total O = 5.552687e+01
----------------------------Distribution of species----------------------------
Log Log Log mole V
Species Molality Activity Molality Activity Gamma cm³/mol
H+ 7.405e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
C(-4) 0.000e+00
CH4 0.000e+00 0.000e+00 -136.687 -136.687 0.000 32.22
C(4) 2.216e-04
CO2 2.215e-04 2.216e-04 -3.655 -3.655 0.000 29.09
HCO3- 1.448e-07 1.387e-07 -6.839 -6.858 -0.019 24.69
CaHCO3+ 2.887e-10 2.766e-10 -9.540 -9.558 -0.019 9.68
MgHCO3+ 4.852e-11 4.644e-11 -10.314 -10.333 -0.019 5.48
NaHCO3 9.143e-12 9.146e-12 -11.039 -11.039 0.000 1.80
CO3-2 1.087e-14 9.151e-15 -13.964 -14.039 -0.075 -5.24
CaCO3 2.403e-15 2.404e-15 -14.619 -14.619 0.000 -14.60
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
NaCO3- 2.088e-17 1.999e-17 -16.680 -16.699 -0.019 -1.02
CH4 0.000e+00 0.000e+00 -136.694 -136.693 0.000 35.46
C(4) 2.182e-04
CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43
HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.69
(CO2)2 8.730e-10 8.733e-10 -9.059 -9.059 0.000 68.87
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
MgHCO3+ 4.776e-11 4.572e-11 -10.321 -10.340 -0.019 5.48
NaHCO3 9.001e-12 9.004e-12 -11.046 -11.046 0.000 1.80
CO3-2 1.070e-14 9.007e-15 -13.971 -14.045 -0.075 -5.24
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
MgCO3 2.460e-16 2.460e-16 -15.609 -15.609 0.000 -17.09
NaCO3- 2.055e-17 1.967e-17 -16.687 -16.706 -0.019 -1.02
Ca 1.916e-04
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
CaHCO3+ 2.887e-10 2.766e-10 -9.540 -9.558 -0.019 9.68
CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
CaCO3 2.403e-15 2.404e-15 -14.619 -14.619 0.000 -14.60
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
Cl 1.331e-04
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
H(0) 0.000e+00
@ -422,9 +425,9 @@ K 1.841e-05
Mg 3.536e-05
Mg+2 3.396e-05 2.863e-05 -4.469 -4.543 -0.074 -21.80
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
MgHCO3+ 4.852e-11 4.644e-11 -10.314 -10.333 -0.019 5.48
MgHCO3+ 4.776e-11 4.572e-11 -10.321 -10.340 -0.019 5.48
MgOH+ 1.526e-13 1.462e-13 -12.817 -12.835 -0.018 (0)
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
MgCO3 2.460e-16 2.460e-16 -15.609 -15.609 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.97
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 37.62
@ -438,9 +441,9 @@ N(5) 1.601e-04
Na 1.226e-04
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.47
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 13.80
NaHCO3 9.143e-12 9.146e-12 -11.039 -11.039 0.000 1.80
NaCO3- 2.088e-17 1.999e-17 -16.680 -16.699 -0.019 -1.02
NaOH 1.670e-25 1.671e-25 -24.777 -24.777 0.000 (0)
NaHCO3 9.001e-12 9.004e-12 -11.046 -11.046 0.000 1.80
NaCO3- 2.055e-17 1.967e-17 -16.687 -16.706 -0.019 -1.02
NaOH 1.670e-25 1.670e-25 -24.777 -24.777 0.000 (0)
O(0) 8.552e-08
O2 4.276e-08 4.277e-08 -7.369 -7.369 0.000 30.40
S(-2) 0.000e+00
@ -462,11 +465,11 @@ S(6) 2.706e-04
Phase SI** log IAP log K(298 K, 1 atm)
Anhydrite -3.21 -7.49 -4.28 CaSO4
Aragonite -9.51 -17.84 -8.34 CaCO3
Calcite -9.36 -17.84 -8.48 CaCO3
CH4(g) -133.84 -136.69 -2.84 CH4
CO2(g) -2.19 -3.65 -1.46 CO2
Dolomite -19.34 -36.43 -17.09 CaMg(CO3)2
Aragonite -9.52 -17.85 -8.34 CaCO3
Calcite -9.37 -17.85 -8.48 CaCO3
CH4(g) -133.89 -136.69 -2.80 CH4
CO2(g) -2.19 -3.66 -1.47 CO2
Dolomite -19.35 -36.44 -17.09 CaMg(CO3)2
Gypsum -2.91 -7.49 -4.58 CaSO4:2H2O
H2(g) -39.40 -42.51 -3.10 H2
H2O(g) -1.50 -0.00 1.50 H2O

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sim state soln dist_x time step pH pe Cl pyrite d_pyrite goethite d_goethite calcite d_calcite CO2(g) d_CO2(g) gypsum d_gypsum si_Gypsum
1 i_soln 1 -99 -99 -99 7 4 0.0000e+00 0.0000e+00 0.0000e+00 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
1 react 1 -99 0 1 8.27477 -4.93739 0.0000e+00 1.0000e+01 -3.1358e-08 1.0000e+01 1.0519e-08 9.9995e+00 -4.9597e-04 9.9995e+00 -4.8974e-04 0.0000e+00 0.0000e+00 -6.1261
1 react 1 -99 0 2 8.16638 -4.28067 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2943e-04 1.0000e+01 1.3983e-04 0.0000e+00 0.0000e+00 -2.0137
1 react 1 -99 0 3 7.97604 -3.96197 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9379e-03 1.0002e+01 2.3943e-03 0.0000e+00 0.0000e+00 -1.0513
1 react 1 -99 0 4 7.87735 -3.80774 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5595e-03 1.0005e+01 5.1050e-03 0.0000e+00 0.0000e+00 -0.6352
1 react 1 -99 0 5 7.72175 -3.569 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6175e-02 1.0016e+01 1.5822e-02 0.0000e+00 0.0000e+00 -0.0132
1 react 1 -99 0 6 7.71597 -3.56133 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6843e-02 1.0026e+01 2.6488e-02 9.5494e-03 9.5494e-03 0.0000
1 react 1 -99 0 1 8.27921 -4.94286 0.0000e+00 1.0000e+01 -3.1438e-08 1.0000e+01 1.0965e-08 9.9995e+00 -4.9338e-04 9.9995e+00 -4.8692e-04 0.0000e+00 0.0000e+00 -6.1269
1 react 1 -99 0 2 8.17031 -4.28563 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2691e-04 1.0000e+01 1.4255e-04 0.0000e+00 0.0000e+00 -2.0146
1 react 1 -99 0 3 7.97957 -3.96643 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9360e-03 1.0002e+01 2.3965e-03 0.0000e+00 0.0000e+00 -1.0515
1 react 1 -99 0 4 7.8808 -3.81211 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5579e-03 1.0005e+01 5.1069e-03 0.0000e+00 0.0000e+00 -0.6353
1 react 1 -99 0 5 7.72516 -3.57332 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6174e-02 1.0016e+01 1.5823e-02 0.0000e+00 0.0000e+00 -0.0132
1 react 1 -99 0 6 7.71938 -3.56564 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6841e-02 1.0026e+01 2.6489e-02 9.5489e-03 9.5489e-03 0.0000

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sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
1 react -99 -1.5001 -21.5054 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 1.0000e-03 -1.3563 -0.4572 -3.9820 -8.3834 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 2.0000e-03 -1.2482 -0.1562 -3.7283 -8.1842 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 3.0000e-03 -1.1626 -0.0015 -3.5875 -8.0879 1.1000e+00 7.9439e-05 1.7620e-03 4.9947e-06 7.2146e-05 1.8670e-08 0.0000e+00
2 react 4.0000e-03 -1.0970 -0.0065 -3.4061 -8.0237 1.1000e+00 6.5573e-04 1.4544e-02 4.7955e-05 5.8872e-04 2.3398e-07 0.0000e+00
2 react 8.0000e-03 -0.9158 -0.0255 -2.9823 -7.8869 1.1000e+00 3.0856e-03 6.8432e-02 3.4251e-04 2.6516e-03 2.9216e-06 0.0000e+00
2 react 1.6000e-02 -0.7232 -0.0589 -2.5486 -7.7548 1.1000e+00 8.5037e-03 1.8855e-01 1.4708e-03 6.7668e-03 2.1854e-05 0.0000e+00
2 react 3.2000e-02 -0.5539 -0.1092 -2.1056 -7.6157 1.1000e+00 2.1170e-02 4.6927e-01 5.4077e-03 1.5003e-02 1.5085e-04 0.0000e+00
2 react 6.4000e-02 -0.4371 -0.1663 -1.7633 -7.5097 1.1000e+00 5.0908e-02 1.1282e+00 1.7016e-02 3.1631e-02 7.9790e-04 0.0000e+00
2 react 1.2500e-01 -0.3751 -0.2096 -1.5907 -7.4630 1.1000e+00 1.1312e-01 2.5064e+00 4.3619e-02 6.3607e-02 2.6376e-03 0.0000e+00
2 react 2.5000e-01 -0.3433 -0.2367 -1.5107 -7.4451 1.1000e+00 2.4478e-01 5.4233e+00 1.0155e-01 1.2933e-01 6.8613e-03 0.0000e+00
2 react 5.0000e-01 -0.3280 -0.2511 -1.4748 -7.4383 1.1000e+00 5.1043e-01 1.1308e+01 2.1934e-01 2.6087e-01 1.5540e-02 0.0000e+00
2 react 1.0000e+00 -0.3206 -0.2585 -1.4580 -7.4354 1.1000e+00 1.0429e+00 2.3104e+01 4.5589e-01 5.2398e-01 3.3006e-02 0.0000e+00
3 i_gas -99 -1.5001 -21.5054 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
3 react 1.0000e-03 -1.4939 -3.2573 -4.4522 -9.6170 6.4109e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2433e-04 3.3469e-05 0.0000e+00
3 react 2.0000e-03 -1.4874 -2.9562 -4.1497 -9.3552 6.5179e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0488e-03 6.7158e-05 0.0000e+00
3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2032 6.6249e-02 6.2828e-02 2.3190e+01 3.1335e-02 1.5734e-03 1.0091e-04 0.0000e+00
3 react 4.0000e-03 -1.4748 -2.6551 -3.8475 -9.0960 6.7318e-02 6.3843e-02 2.3190e+01 3.1791e-02 2.0979e-03 1.3468e-04 0.0000e+00
3 react 8.0000e-03 -1.4506 -2.3541 -3.5456 -8.8412 7.1596e-02 6.7900e-02 2.3190e+01 3.3613e-02 4.1962e-03 2.6991e-04 0.0000e+00
3 react 1.6000e-02 -1.4059 -2.0530 -3.2442 -8.5943 8.0151e-02 7.6014e-02 2.3190e+01 3.7259e-02 8.3928e-03 5.4032e-04 0.0000e+00
3 react 3.2000e-02 -1.3284 -1.7521 -2.9434 -8.3602 9.7256e-02 9.2241e-02 2.3190e+01 4.4548e-02 1.6785e-02 1.0800e-03 0.0000e+00
3 react 6.4000e-02 -1.2056 -1.4512 -2.6436 -8.1435 1.3145e-01 1.2468e-01 2.3190e+01 5.9121e-02 3.3566e-02 2.1543e-03 0.0000e+00
3 react 1.2500e-01 -1.0387 -1.1607 -2.3551 -7.9529 1.9656e-01 1.8647e-01 2.3190e+01 8.6886e-02 6.5544e-02 4.1873e-03 0.0000e+00
3 react 2.5000e-01 -0.8205 -0.8601 -2.0572 -7.7730 3.2978e-01 3.1300e-01 2.3190e+01 1.4374e-01 1.3105e-01 8.3183e-03 0.0000e+00
3 react 5.0000e-01 -0.5685 -0.5599 -1.7592 -7.6060 5.9572e-01 5.6593e-01 2.3190e+01 2.5741e-01 2.6201e-01 1.6532e-02 0.0000e+00
3 react 1.0000e+00 -0.2956 -0.2602 -1.4603 -7.4466 1.1262e+00 1.0718e+00 2.3190e+01 4.8482e-01 5.2395e-01 3.2960e-02 0.0000e+00
1 react -99 -1.5001 -21.5495 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 1.0000e-03 -1.3543 -0.4983 -3.9804 -8.3808 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 2.0000e-03 -1.2453 -0.1973 -3.7280 -8.1826 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 3.0000e-03 -1.1581 -0.0212 -3.6048 -8.0877 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
2 react 4.0000e-03 -1.0912 -0.0069 -3.4390 -8.0245 1.1000e+00 5.0204e-04 1.1135e-02 3.7205e-05 4.5026e-04 1.6609e-07 0.0000e+00
2 react 8.0000e-03 -0.9096 -0.0263 -3.0144 -7.8876 1.1000e+00 2.9375e-03 6.5147e-02 3.3072e-04 2.5199e-03 2.5831e-06 0.0000e+00
2 react 1.6000e-02 -0.7175 -0.0600 -2.5773 -7.7537 1.1000e+00 8.3727e-03 1.8565e-01 1.4671e-03 6.6450e-03 2.0140e-05 0.0000e+00
2 react 3.2000e-02 -0.5497 -0.1105 -2.1264 -7.6102 1.1000e+00 2.1074e-02 4.6715e-01 5.4354e-03 1.4890e-02 1.4316e-04 0.0000e+00
2 react 6.4000e-02 -0.4347 -0.1674 -1.7740 -7.4984 1.1000e+00 5.0854e-02 1.1270e+00 1.7094e-02 3.1521e-02 7.7760e-04 0.0000e+00
2 react 1.2500e-01 -0.3738 -0.2103 -1.5956 -7.4482 1.1000e+00 1.1310e-01 2.5060e+00 4.3740e-02 6.3498e-02 2.6073e-03 0.0000e+00
2 react 2.5000e-01 -0.3427 -0.2371 -1.5130 -7.4286 1.1000e+00 2.4479e-01 5.4234e+00 1.0170e-01 1.2922e-01 6.8256e-03 0.0000e+00
2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1045e-01 1.1309e+01 2.1951e-01 2.6076e-01 1.5502e-02 0.0000e+00
2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5607e-01 5.2387e-01 3.2966e-02 0.0000e+00
3 i_gas -99 -1.5001 -21.5495 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
3 react 1.0000e-03 -1.4939 -3.2574 -4.4528 -9.5993 6.4109e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3422e-05 0.0000e+00
3 react 2.0000e-03 -1.4874 -2.9563 -4.1503 -9.3376 6.5180e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7073e-05 0.0000e+00
3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1855 6.6249e-02 6.2829e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0078e-04 0.0000e+00
3 react 4.0000e-03 -1.4748 -2.6552 -3.8480 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3452e-04 0.0000e+00
3 react 8.0000e-03 -1.4506 -2.3542 -3.5461 -8.8235 7.1597e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1954e-03 2.6960e-04 0.0000e+00
3 react 1.6000e-02 -1.4059 -2.0531 -3.2447 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3973e-04 0.0000e+00
3 react 3.2000e-02 -1.3283 -1.7522 -2.9439 -8.3425 9.7257e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0788e-03 0.0000e+00
3 react 6.4000e-02 -1.2055 -1.4513 -2.6441 -8.1258 1.3145e-01 1.2468e-01 2.3190e+01 5.9134e-02 3.3559e-02 2.1518e-03 0.0000e+00
3 react 1.2500e-01 -1.0385 -1.1608 -2.3556 -7.9353 1.9656e-01 1.8648e-01 2.3190e+01 8.6910e-02 6.5530e-02 4.1820e-03 0.0000e+00
3 react 2.5000e-01 -0.8204 -0.8602 -2.0577 -7.7555 3.2979e-01 3.1301e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3071e-03 0.0000e+00
3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5884 5.9574e-01 5.6594e-01 2.3190e+01 2.5751e-01 2.6196e-01 1.6510e-02 0.0000e+00
3 react 1.0000e+00 -0.2954 -0.2603 -1.4608 -7.4290 1.1262e+00 1.0719e+00 2.3190e+01 4.8500e-01 5.2384e-01 3.2919e-02 0.0000e+00

2
ex8.out
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@ -3932,6 +3932,6 @@ Reading input data for simulation 34.
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End of Run after 0.06 Seconds.
End of Run after 0.07 Seconds.
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2
ex9.out
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@ -1355,6 +1355,6 @@ Reading input data for simulation 3.
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End of Run after 0.04 Seconds.
End of Run after 0.05 Seconds.
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