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Squashed 'phreeqc3-examples/' changes from 6baa6075..4d186387
4d186387 Update ctest.regression.cmake output for PR #96 (Mix error fix) git-subtree-dir: phreeqc3-examples git-subtree-split: 4d1863871ab50aaf1b85ad88dc5a2a43f2ea8557
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ex1.out
@ -113,7 +113,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
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N(-3) 1.724e-06 1.724e-06
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N(5) 4.847e-06 4.847e-06
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Na 4.854e-01 4.854e-01
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O(0) 4.381e-04 4.381e-04 Equilibrium with O2(g)
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O(0) 4.378e-04 4.378e-04 Equilibrium with O2(g)
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S(6) 2.926e-02 2.926e-02
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Si 7.382e-05 7.382e-05
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U 1.437e-08 1.437e-08
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@ -122,210 +122,212 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
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pH = 8.220
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pe = 8.451
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Specific Conductance (µS/cm, 25°C) = 52856
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Density (g/cm³) = 1.02328
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Volume (L) = 1.01278
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Viscosity (mPa s) = 0.96030
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Specific Conductance (µS/cm, 25°C) = 52941
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Density (g/cm³) = 1.02326
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Volume (L) = 1.01280
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Viscosity (mPa s) = 0.95735
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Activity of water = 0.981
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Ionic strength (mol/kgw) = 6.704e-01
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Ionic strength (mol/kgw) = 6.736e-01
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Mass of water (kg) = 1.000e+00
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Total carbon (mol/kg) = 2.238e-03
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Total CO2 (mol/kg) = 2.238e-03
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Total carbon (mol/kg) = 2.240e-03
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Total CO2 (mol/kg) = 2.240e-03
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Temperature (°C) = 25.00
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Electrical balance (eq) = 7.936e-04
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Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
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Iterations = 7
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Total H = 1.110148e+02
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Total O = 5.563071e+01
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Total O = 5.563072e+01
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---------------------------------Redox couples---------------------------------
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Redox couple pe Eh (volts)
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N(-3)/N(5) 4.6753 0.2766
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O(-2)/O(0) 12.4061 0.7339
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N(-3)/N(5) 4.6758 0.2766
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O(-2)/O(0) 12.4018 0.7336
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----------------------------Distribution of species----------------------------
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Log Log Log mole V
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Species Molality Activity Molality Activity Gamma cm³/mol
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OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
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H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
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H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07
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C(4) 2.238e-03
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HCO3- 1.541e-03 1.041e-03 -2.812 -2.983 -0.170 25.99
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MgHCO3+ 2.782e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
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NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
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MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
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CO3-2 3.888e-05 8.103e-06 -4.410 -5.091 -0.681 -0.52
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CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
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CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 9.96
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CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43
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KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03
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UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0)
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UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0)
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MnCO3 2.690e-10 3.139e-10 -9.570 -9.503 0.067 (0)
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MnHCO3+ 6.820e-11 4.526e-11 -10.166 -10.344 -0.178 (0)
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UO2CO3 7.086e-12 8.269e-12 -11.150 -11.083 0.067 (0)
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(CO2)2 3.254e-12 3.797e-12 -11.488 -11.421 0.067 68.87
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FeCO3 1.866e-20 2.177e-20 -19.729 -19.662 0.067 (0)
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FeHCO3+ 1.562e-20 1.166e-20 -19.806 -19.933 -0.127 (0)
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OH- 2.705e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
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H+ 7.983e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
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H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
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C(4) 2.240e-03
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HCO3- 1.549e-03 1.046e-03 -2.810 -2.980 -0.170 25.99
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MgHCO3+ 2.720e-04 1.711e-04 -3.565 -3.767 -0.201 5.82
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NaHCO3 2.281e-04 3.111e-04 -3.642 -3.507 0.135 31.73
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MgCO3 9.298e-05 1.086e-04 -4.032 -3.964 0.067 -17.09
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CO3-2 3.913e-05 8.141e-06 -4.408 -5.089 -0.682 -0.51
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CaCO3 2.897e-05 3.383e-05 -4.538 -4.471 0.067 -14.60
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CaHCO3+ 1.442e-05 9.980e-06 -4.841 -5.001 -0.160 9.96
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CO2 1.305e-05 1.445e-05 -4.885 -4.840 0.044 34.43
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KHCO3 2.966e-06 3.009e-06 -5.528 -5.522 0.006 41.03
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UO2(CO3)3-4 1.259e-08 1.177e-10 -7.900 -9.929 -2.029 (0)
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UO2(CO3)2-2 1.768e-09 5.496e-10 -8.753 -9.260 -0.507 (0)
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MnCO3 2.768e-10 3.232e-10 -9.558 -9.491 0.067 (0)
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MnHCO3+ 7.025e-11 4.660e-11 -10.153 -10.332 -0.178 (0)
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UO2CO3 7.063e-12 8.248e-12 -11.151 -11.084 0.067 (0)
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(CO2)2 3.283e-12 3.834e-12 -11.484 -11.416 0.067 68.87
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FeCO3 1.893e-20 2.211e-20 -19.723 -19.655 0.067 (0)
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FeHCO3+ 1.586e-20 1.184e-20 -19.800 -19.927 -0.127 (0)
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Ca 1.066e-02
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Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70
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CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
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CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
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CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 9.96
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CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0)
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CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
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Ca+2 9.891e-03 2.473e-03 -2.005 -2.607 -0.602 -16.70
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CaSO4 7.262e-04 7.781e-04 -3.139 -3.109 0.030 7.22
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CaCO3 2.897e-05 3.383e-05 -4.538 -4.471 0.067 -14.60
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CaHCO3+ 1.442e-05 9.980e-06 -4.841 -5.001 -0.160 9.96
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CaOH+ 8.946e-08 6.680e-08 -7.048 -7.175 -0.127 (0)
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CaHSO4+ 5.262e-11 3.929e-11 -10.279 -10.406 -0.127 (0)
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Cl 5.657e-01
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Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79
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MnCl+ 1.069e-09 7.094e-10 -8.971 -9.149 -0.178 -2.79
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HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0)
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MnCl2 9.474e-11 1.106e-10 -10.023 -9.956 0.067 85.89
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MnCl3- 1.638e-11 1.087e-11 -10.786 -10.964 -0.178 45.78
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FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0)
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FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0)
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FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0)
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FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0)
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Fe(2) 6.342e-19
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Fe+2 4.879e-19 1.120e-19 -18.312 -18.951 -0.639 -20.72
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FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0)
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FeSO4 2.937e-20 3.428e-20 -19.532 -19.465 0.067 18.97
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FeCO3 1.866e-20 2.177e-20 -19.729 -19.662 0.067 (0)
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FeHCO3+ 1.562e-20 1.166e-20 -19.806 -19.933 -0.127 (0)
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FeOH+ 8.686e-21 5.764e-21 -20.061 -20.239 -0.178 (0)
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Fe(OH)2 6.842e-24 7.984e-24 -23.165 -23.098 0.067 (0)
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Fe(OH)3- 7.275e-26 4.828e-26 -25.138 -25.316 -0.178 (0)
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FeHSO4+ 1.819e-27 1.358e-27 -26.740 -26.867 -0.127 (0)
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Cl- 5.657e-01 3.569e-01 -0.247 -0.447 -0.200 18.79
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MnCl+ 1.095e-09 7.266e-10 -8.960 -9.139 -0.178 -2.79
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HCl 3.828e-10 7.408e-10 -9.417 -9.130 0.287 (0)
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MnCl2 9.693e-11 1.132e-10 -10.014 -9.946 0.067 85.89
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MnCl3- 1.677e-11 1.113e-11 -10.775 -10.954 -0.178 45.79
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FeCl+2 1.518e-18 2.939e-19 -17.819 -18.532 -0.713 (0)
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FeCl2+ 7.062e-19 4.684e-19 -18.151 -18.329 -0.178 (0)
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FeCl+ 7.468e-20 5.576e-20 -19.127 -19.254 -0.127 (0)
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FeCl3 1.431e-20 1.672e-20 -19.844 -19.777 0.067 (0)
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Fe(2) 6.509e-19
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Fe+2 4.937e-19 1.132e-19 -18.307 -18.946 -0.640 -20.71
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FeCl+ 7.468e-20 5.576e-20 -19.127 -19.254 -0.127 (0)
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FeSO4 3.888e-20 4.540e-20 -19.410 -19.343 0.067 30.28
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FeCO3 1.893e-20 2.211e-20 -19.723 -19.655 0.067 (0)
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FeHCO3+ 1.586e-20 1.184e-20 -19.800 -19.927 -0.127 (0)
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FeOH+ 8.782e-21 5.825e-21 -20.056 -20.235 -0.178 (0)
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Fe(OH)2 6.910e-24 8.069e-24 -23.161 -23.093 0.067 (0)
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Fe(OH)3- 7.355e-26 4.879e-26 -25.133 -25.312 -0.178 (0)
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FeHSO4+ 2.408e-27 1.798e-27 -26.618 -26.745 -0.127 (0)
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Fe(3) 3.711e-08
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Fe(OH)3 2.772e-08 3.235e-08 -7.557 -7.490 0.067 (0)
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Fe(OH)4- 7.107e-09 4.802e-09 -8.148 -8.319 -0.170 (0)
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Fe(OH)2+ 2.284e-09 1.543e-09 -8.641 -8.812 -0.170 (0)
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FeOH+2 1.477e-13 2.863e-14 -12.831 -13.543 -0.712 (0)
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FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0)
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FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0)
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FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0)
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Fe+3 3.421e-19 2.725e-20 -18.466 -19.565 -1.099 (0)
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Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0)
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FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0)
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Fe2(OH)2+4 2.378e-24 2.207e-26 -23.624 -25.656 -2.032 (0)
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FeHSO4+2 2.673e-26 8.297e-27 -25.573 -26.081 -0.508 (0)
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Fe3(OH)4+5 1.066e-29 7.114e-33 -28.972 -32.148 -3.176 (0)
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Fe(OH)3 2.772e-08 3.237e-08 -7.557 -7.490 0.067 (0)
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Fe(OH)4- 7.112e-09 4.804e-09 -8.148 -8.318 -0.170 (0)
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Fe(OH)2+ 2.286e-09 1.544e-09 -8.641 -8.811 -0.170 (0)
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FeOH+2 1.480e-13 2.865e-14 -12.830 -13.543 -0.713 (0)
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FeCl+2 1.518e-18 2.939e-19 -17.819 -18.532 -0.713 (0)
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FeSO4+ 1.017e-18 6.743e-19 -17.993 -18.171 -0.178 (0)
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FeCl2+ 7.062e-19 4.684e-19 -18.151 -18.329 -0.178 (0)
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Fe+3 3.429e-19 2.727e-20 -18.465 -19.564 -1.099 (0)
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Fe(SO4)2- 4.456e-20 3.327e-20 -19.351 -19.478 -0.127 (0)
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FeCl3 1.431e-20 1.672e-20 -19.844 -19.777 0.067 (0)
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Fe2(OH)2+4 2.364e-24 2.209e-26 -23.626 -25.656 -2.029 (0)
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FeHSO4+2 3.499e-26 1.088e-26 -25.456 -25.963 -0.507 (0)
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Fe3(OH)4+5 1.056e-29 7.126e-33 -28.976 -32.147 -3.171 (0)
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H(0) 0.000e+00
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H2 0.000e+00 0.000e+00 -44.469 -44.402 0.067 28.61
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H2 0.000e+00 0.000e+00 -44.461 -44.394 0.067 28.61
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K 1.058e-02
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K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66
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KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
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KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03
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K+ 1.033e-02 6.440e-03 -1.986 -2.191 -0.205 9.66
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KSO4- 2.437e-04 2.210e-04 -3.613 -3.656 -0.042 35.14
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KHCO3 2.966e-06 3.009e-06 -5.528 -5.522 0.006 41.03
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Mg 5.507e-02
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Mg+2 4.979e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42
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MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
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MgHCO3+ 2.782e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
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Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
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MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
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MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0)
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Mg+2 4.842e-02 1.398e-02 -1.315 -1.855 -0.540 -20.41
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MgSO4 6.052e-03 8.253e-03 -2.218 -2.083 0.135 -0.40
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MgHCO3+ 2.720e-04 1.711e-04 -3.565 -3.767 -0.201 5.82
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Mg(SO4)2-2 2.167e-04 6.131e-05 -3.664 -4.212 -0.548 48.71
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MgCO3 9.298e-05 1.086e-04 -4.032 -3.964 0.067 -17.09
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MgOH+ 1.172e-05 8.258e-06 -4.931 -5.083 -0.152 (0)
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Mn(2) 3.773e-09
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Mn+2 2.125e-09 4.877e-10 -8.673 -9.312 -0.639 -16.37
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MnCl+ 1.069e-09 7.094e-10 -8.971 -9.149 -0.178 -2.79
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MnCO3 2.690e-10 3.139e-10 -9.570 -9.503 0.067 (0)
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MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54
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MnCl2 9.474e-11 1.106e-10 -10.023 -9.956 0.067 85.89
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MnHCO3+ 6.820e-11 4.526e-11 -10.166 -10.344 -0.178 (0)
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MnCl3- 1.638e-11 1.087e-11 -10.786 -10.964 -0.178 45.78
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MnOH+ 3.075e-12 2.040e-12 -11.512 -11.690 -0.178 (0)
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Mn(OH)3- 5.021e-20 3.332e-20 -19.299 -19.477 -0.178 (0)
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Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04
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Mn(3) 5.345e-26
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Mn+3 5.345e-26 4.258e-27 -25.272 -26.371 -1.099 (0)
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Mn+2 2.180e-09 4.998e-10 -8.662 -9.301 -0.640 -16.36
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MnCl+ 1.095e-09 7.266e-10 -8.960 -9.139 -0.178 -2.79
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MnCO3 2.768e-10 3.232e-10 -9.558 -9.491 0.067 (0)
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MnCl2 9.693e-11 1.132e-10 -10.014 -9.946 0.067 85.89
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MnHCO3+ 7.025e-11 4.660e-11 -10.153 -10.332 -0.178 (0)
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MnSO4 3.358e-11 2.884e-11 -10.474 -10.540 -0.066 17.15
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MnCl3- 1.677e-11 1.113e-11 -10.775 -10.954 -0.178 45.79
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MnOH+ 3.152e-12 2.091e-12 -11.501 -11.680 -0.178 (0)
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Mn(OH)3- 5.147e-20 3.414e-20 -19.288 -19.467 -0.178 (0)
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Mn(NO3)2 1.379e-20 1.611e-20 -19.860 -19.793 0.067 41.04
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Mn(3) 5.486e-26
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Mn+3 5.486e-26 4.363e-27 -25.261 -26.360 -1.099 (0)
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N(-3) 1.724e-06
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NH4+ 1.601e-06 9.008e-07 -5.796 -6.045 -0.250 18.48
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NH3 7.301e-08 8.519e-08 -7.137 -7.070 0.067 24.42
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NH4SO4- 4.981e-08 2.526e-08 -7.303 -7.598 -0.295 26.92
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NH4+ 1.585e-06 8.912e-07 -5.800 -6.050 -0.250 18.48
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NH3 7.217e-08 8.428e-08 -7.142 -7.074 0.067 24.42
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NH4SO4- 6.644e-08 3.795e-08 -7.178 -7.421 -0.243 38.85
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N(5) 4.847e-06
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NO3- 4.847e-06 2.847e-06 -5.314 -5.546 -0.231 30.29
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Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04
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NO3- 4.847e-06 2.845e-06 -5.314 -5.546 -0.231 30.29
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||||
Mn(NO3)2 1.379e-20 1.611e-20 -19.860 -19.793 0.067 41.04
|
||||
Na 4.854e-01
|
||||
Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51
|
||||
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
|
||||
NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
|
||||
O(0) 4.381e-04
|
||||
O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40
|
||||
Na+ 4.758e-01 3.414e-01 -0.323 -0.467 -0.144 -0.50
|
||||
NaSO4- 9.406e-03 6.765e-03 -2.027 -2.170 -0.143 21.71
|
||||
NaHCO3 2.281e-04 3.111e-04 -3.642 -3.507 0.135 31.73
|
||||
Na2SO4 9.817e-07 1.126e-06 -6.008 -5.948 0.060 47.96
|
||||
O(0) 4.378e-04
|
||||
O2 2.189e-04 2.556e-04 -3.660 -3.592 0.067 30.40
|
||||
S(6) 2.926e-02
|
||||
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
|
||||
SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.42
|
||||
MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
|
||||
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
|
||||
KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
|
||||
Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
|
||||
NH4SO4- 4.981e-08 2.526e-08 -7.303 -7.598 -0.295 26.92
|
||||
HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96
|
||||
MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54
|
||||
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
|
||||
FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0)
|
||||
FeSO4 2.937e-20 3.428e-20 -19.532 -19.465 0.067 18.97
|
||||
Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0)
|
||||
FeHSO4+2 2.673e-26 8.297e-27 -25.573 -26.081 -0.508 (0)
|
||||
FeHSO4+ 1.819e-27 1.358e-27 -26.740 -26.867 -0.127 (0)
|
||||
SO4-2 1.240e-02 2.255e-03 -1.907 -2.647 -0.740 17.12
|
||||
NaSO4- 9.406e-03 6.765e-03 -2.027 -2.170 -0.143 21.71
|
||||
MgSO4 6.052e-03 8.253e-03 -2.218 -2.083 0.135 -0.40
|
||||
CaSO4 7.262e-04 7.781e-04 -3.139 -3.109 0.030 7.22
|
||||
KSO4- 2.437e-04 2.210e-04 -3.613 -3.656 -0.042 35.14
|
||||
Mg(SO4)2-2 2.167e-04 6.131e-05 -3.664 -4.212 -0.548 48.71
|
||||
Na2SO4 9.817e-07 1.126e-06 -6.008 -5.948 0.060 47.96
|
||||
NH4SO4- 6.644e-08 3.795e-08 -7.178 -7.421 -0.243 38.85
|
||||
HSO4- 1.769e-09 1.321e-09 -8.752 -8.879 -0.127 40.96
|
||||
CaHSO4+ 5.262e-11 3.929e-11 -10.279 -10.406 -0.127 (0)
|
||||
MnSO4 3.358e-11 2.884e-11 -10.474 -10.540 -0.066 17.15
|
||||
FeSO4+ 1.017e-18 6.743e-19 -17.993 -18.171 -0.178 (0)
|
||||
Fe(SO4)2- 4.456e-20 3.327e-20 -19.351 -19.478 -0.127 (0)
|
||||
FeSO4 3.888e-20 4.540e-20 -19.410 -19.343 0.067 30.28
|
||||
FeHSO4+2 3.499e-26 1.088e-26 -25.456 -25.963 -0.507 (0)
|
||||
FeHSO4+ 2.408e-27 1.798e-27 -26.618 -26.745 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0)
|
||||
U(4) 9.680e-22
|
||||
U(OH)5- 9.679e-22 7.224e-22 -21.014 -21.141 -0.127 (0)
|
||||
U(OH)4 1.546e-25 1.804e-25 -24.811 -24.744 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -47.019 -49.052 -2.032 (0)
|
||||
U(5) 1.519e-18
|
||||
UO2+ 1.519e-18 1.134e-18 -17.818 -17.945 -0.127 (0)
|
||||
H4SiO4 7.061e-05 8.246e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.208e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.095e-10 2.278e-11 -9.961 -10.642 -0.682 (0)
|
||||
U(4) 9.579e-22
|
||||
U(OH)5- 9.578e-22 7.152e-22 -21.019 -21.146 -0.127 (0)
|
||||
U(OH)4 1.530e-25 1.786e-25 -24.815 -24.748 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -47.027 -49.056 -2.029 (0)
|
||||
U(5) 1.505e-18
|
||||
UO2+ 1.505e-18 1.124e-18 -17.822 -17.949 -0.127 (0)
|
||||
U(6) 1.437e-08
|
||||
UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0)
|
||||
UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0)
|
||||
UO2CO3 7.086e-12 8.269e-12 -11.150 -11.083 0.067 (0)
|
||||
UO2OH+ 3.172e-14 2.368e-14 -13.499 -13.626 -0.127 (0)
|
||||
UO2+2 2.837e-16 8.807e-17 -15.547 -16.055 -0.508 (0)
|
||||
(UO2)2(OH)2+2 1.566e-21 4.860e-22 -20.805 -21.313 -0.508 (0)
|
||||
(UO2)3(OH)5+ 2.388e-23 1.782e-23 -22.622 -22.749 -0.127 (0)
|
||||
UO2(CO3)3-4 1.259e-08 1.177e-10 -7.900 -9.929 -2.029 (0)
|
||||
UO2(CO3)2-2 1.768e-09 5.496e-10 -8.753 -9.260 -0.507 (0)
|
||||
UO2CO3 7.063e-12 8.248e-12 -11.151 -11.084 0.067 (0)
|
||||
UO2OH+ 3.147e-14 2.350e-14 -13.502 -13.629 -0.127 (0)
|
||||
UO2+2 2.812e-16 8.742e-17 -15.551 -16.058 -0.507 (0)
|
||||
(UO2)2(OH)2+2 1.540e-21 4.789e-22 -20.812 -21.320 -0.507 (0)
|
||||
(UO2)3(OH)5+ 2.334e-23 1.743e-23 -22.632 -22.759 -0.127 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.09 -5.37 -4.28 CaSO4
|
||||
Aragonite 0.64 -7.69 -8.34 CaCO3
|
||||
Arcanite -5.26 -7.14 -1.88 K2SO4
|
||||
Calcite 0.79 -7.69 -8.48 CaCO3
|
||||
Anhydrite -0.94 -5.25 -4.31 CaSO4
|
||||
Aragonite 0.64 -7.70 -8.34 CaCO3
|
||||
Arcanite -5.15 -7.03 -1.88 K2SO4
|
||||
Calcite 0.78 -7.70 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.41 35.62 32.20 Mg3Si2O5(OH)4
|
||||
Chrysotile 3.38 35.58 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.37 -4.84 -1.47 CO2
|
||||
Dolomite 2.46 -14.63 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O
|
||||
Dolomite 2.44 -14.64 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.82 -4.56 -1.74 MgSO4:7H2O
|
||||
Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3
|
||||
Goethite 6.08 5.08 -1.00 FeOOH
|
||||
Gypsum -0.80 -5.38 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
Gypsum -0.72 -5.27 -4.55 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.49 -0.92 1.57 NaCl
|
||||
Hausmannite 1.57 62.60 61.03 Mn3O4
|
||||
Halite -2.48 -0.91 1.57 NaCl
|
||||
Hausmannite 1.60 62.63 61.03 Mn3O4
|
||||
Hematite 14.17 10.17 -4.01 Fe2O3
|
||||
Hexahydrite -3.09 -4.66 -1.57 MgSO4:6H2O
|
||||
Jarosite-K -7.93 -17.14 -9.21 KFe3(SO4)2(OH)6
|
||||
Kieserite -3.45 -4.62 -1.16 MgSO4:H2O
|
||||
Hexahydrite -2.99 -4.55 -1.57 MgSO4:6H2O
|
||||
Jarosite-K -7.70 -16.91 -9.21 KFe3(SO4)2(OH)6
|
||||
Kieserite -3.35 -4.51 -1.16 MgSO4:H2O
|
||||
Manganite 2.40 27.74 25.34 MnOOH
|
||||
Melanterite -19.57 -21.77 -2.21 FeSO4:7H2O
|
||||
Mirabilite -2.55 -3.79 -1.24 Na2SO4:10H2O
|
||||
Melanterite -19.44 -21.65 -2.21 FeSO4:7H2O
|
||||
Mirabilite -2.96 -3.67 -0.71 Na2SO4:10H2O
|
||||
NH3(g) -8.87 -7.07 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
Pyrochroite -8.09 7.11 15.20 Mn(OH)2
|
||||
Pyrolusite 6.97 48.35 41.38 MnO2:H2O
|
||||
Pyrochroite -8.08 7.12 15.20 Mn(OH)2
|
||||
Pyrolusite 6.98 48.36 41.38 MnO2:H2O
|
||||
Quartz -0.09 -4.07 -3.98 SiO2
|
||||
Rhodochrosite -3.27 -14.40 -11.13 MnCO3
|
||||
Sepiolite 1.19 16.95 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.71 16.95 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Rhodochrosite -3.26 -14.39 -11.13 MnCO3
|
||||
Sepiolite 1.16 16.92 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.74 16.92 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Siderite -13.15 -24.04 -10.89 FeCO3
|
||||
SiO2(a) -1.36 -4.07 -2.71 SiO2
|
||||
SiO2(a) -1.35 -4.07 -2.71 SiO2
|
||||
Sylvite -3.54 -2.64 0.90 KCl
|
||||
Talc 6.09 27.49 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -3.41 -3.71 -0.30 Na2SO4
|
||||
Talc 6.06 27.46 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.23 -3.58 0.65 Na2SO4
|
||||
Uraninite -12.70 -16.19 -3.49 UO2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
|
||||
26
ex10.out
26
ex10.out
@ -161,8 +161,8 @@ Ca 3.932e-03
|
||||
CaOH+ 4.173e-08 3.742e-08 -7.380 -7.427 -0.047 (0)
|
||||
H(0) 1.674e-27
|
||||
H2 8.369e-28 8.391e-28 -27.077 -27.076 0.001 28.61
|
||||
O(0) 1.181e-38
|
||||
O2 5.903e-39 5.918e-39 -38.229 -38.228 0.001 30.40
|
||||
O(0) 1.229e-38
|
||||
O2 6.145e-39 6.161e-39 -38.212 -38.210 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -174,7 +174,7 @@ O(0) 1.181e-38
|
||||
CO2(g) -2.32 -3.78 -1.47 CO2
|
||||
H2(g) -23.98 -27.08 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
O2(g) -35.34 -38.23 -2.89 O2
|
||||
O2(g) -35.32 -38.21 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -206,7 +206,7 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.875e-02
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 6.058 Charge balance
|
||||
pe = 11.902 Adjusted to redox equilibrium
|
||||
pe = 11.900 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1684
|
||||
Density (g/cm³) = 0.99865
|
||||
Volume (L) = 1.00430
|
||||
@ -217,7 +217,7 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.875e-02
|
||||
Total alkalinity (eq/kg) = 1.986e-02
|
||||
Total CO2 (mol/kg) = 5.262e-02
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 1.002e-11
|
||||
Electrical balance (eq) = 1.000e-11
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 10
|
||||
Total H = 1.110200e+02
|
||||
@ -232,7 +232,7 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.875e-02
|
||||
OH- 1.365e-08 1.155e-08 -7.865 -7.937 -0.073 -3.95
|
||||
H2O 5.551e+01 9.989e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -120.774 -120.771 0.003 35.46
|
||||
CH4 0.000e+00 0.000e+00 -120.758 -120.755 0.003 35.46
|
||||
C(4) 5.262e-02
|
||||
CO2 3.273e-02 3.287e-02 -1.485 -1.483 0.002 34.43
|
||||
HCO3- 1.946e-02 1.669e-02 -1.711 -1.778 -0.067 24.73
|
||||
@ -245,10 +245,10 @@ Ca 9.930e-03
|
||||
CaHCO3+ 3.858e-04 3.321e-04 -3.414 -3.479 -0.065 9.76
|
||||
CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 -14.60
|
||||
CaOH+ 1.148e-09 9.773e-10 -8.940 -9.010 -0.070 (0)
|
||||
H(0) 1.692e-39
|
||||
H2 8.460e-40 8.517e-40 -39.073 -39.070 0.003 28.61
|
||||
O(0) 1.139e-14
|
||||
O2 5.697e-15 5.735e-15 -14.244 -14.241 0.003 30.40
|
||||
H(0) 1.708e-39
|
||||
H2 8.539e-40 8.596e-40 -39.069 -39.066 0.003 28.61
|
||||
O(0) 1.164e-14
|
||||
O2 5.822e-15 5.861e-15 -14.235 -14.232 0.003 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -256,11 +256,11 @@ O(0) 1.139e-14
|
||||
|
||||
Aragonite 0.00 -8.34 -8.34 CaCO3
|
||||
Calcite 0.14 -8.34 -8.48 CaCO3
|
||||
CH4(g) -117.97 -120.77 -2.80 CH4
|
||||
CH4(g) -117.95 -120.75 -2.80 CH4
|
||||
CO2(g) -0.01 -1.48 -1.47 CO2 Pressure 1.0 atm, phi 0.995
|
||||
H2(g) -35.97 -39.07 -3.10 H2
|
||||
H2(g) -35.96 -39.07 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
O2(g) -11.35 -14.24 -2.89 O2
|
||||
O2(g) -11.34 -14.23 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
|
||||
20
ex11.out
20
ex11.out
@ -60,7 +60,7 @@ Initial solution 0. CaCl2
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 6.995 Charge balance
|
||||
pe = 13.632 Equilibrium with O2(g)
|
||||
pe = 13.628 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 155
|
||||
Density (g/cm³) = 0.99710
|
||||
Volume (L) = 1.00298
|
||||
@ -68,9 +68,9 @@ Initial solution 0. CaCl2
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.800e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -1.854e-20
|
||||
Total alkalinity (eq/kg) = 1.017e-19
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.979e-18
|
||||
Electrical balance (eq) = 2.860e-18
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 4
|
||||
Total H = 1.110124e+02
|
||||
@ -91,7 +91,7 @@ Cl 1.200e-03
|
||||
Cl- 1.200e-03 1.144e-03 -2.921 -2.941 -0.021 18.08
|
||||
HCl 3.981e-11 3.988e-11 -10.400 -10.399 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.395 0.000 28.61
|
||||
O(0) 5.351e-04
|
||||
O2 2.675e-04 2.676e-04 -3.573 -3.572 0.000 30.40
|
||||
|
||||
@ -99,7 +99,7 @@ O(0) 5.351e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2(g) -41.29 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
|
||||
@ -119,7 +119,7 @@ Initial solution 1. Initial solution for column
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 6.997 Charge balance
|
||||
pe = 13.630 Equilibrium with O2(g)
|
||||
pe = 13.626 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 145
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -127,9 +127,9 @@ Initial solution 1. Initial solution for column
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.200e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -1.027e-18
|
||||
Total alkalinity (eq/kg) = -9.275e-19
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -9.088e-17
|
||||
Electrical balance (eq) = -9.115e-17
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 3 (7 overall)
|
||||
Total H = 1.110124e+02
|
||||
@ -144,7 +144,7 @@ Initial solution 1. Initial solution for column
|
||||
OH- 1.045e-07 1.005e-07 -6.981 -6.998 -0.017 -4.10
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.404 -44.404 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.395 0.000 28.61
|
||||
K 2.000e-04
|
||||
K+ 2.000e-04 1.923e-04 -3.699 -3.716 -0.017 9.01
|
||||
N(5) 1.200e-03
|
||||
@ -158,7 +158,7 @@ O(0) 5.351e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2(g) -41.29 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
O2(g) -0.68 -3.57 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
|
||||
|
||||
186
ex11trn.sel
186
ex11trn.sel
@ -7,96 +7,96 @@
|
||||
5 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.375000000000e-01
|
||||
6 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.625000000000e-01
|
||||
7 1.000000000001e-03 0.000000000000e+00 2.000000000001e-04 0.000000000000e+00 1.875000000000e-01
|
||||
8 1.000000000001e-03 3.099695935214e-22 2.000000000001e-04 0.000000000000e+00 2.125000000000e-01
|
||||
9 1.000000000001e-03 1.500942119489e-17 2.000000000001e-04 0.000000000000e+00 2.375000000000e-01
|
||||
10 1.000000000001e-03 6.337830597342e-15 2.000000000001e-04 0.000000000000e+00 2.625000000000e-01
|
||||
11 1.000000000001e-03 4.494808745371e-13 2.000000000001e-04 0.000000000000e+00 2.875000000000e-01
|
||||
12 1.000000000001e-03 1.148716249618e-11 2.000000000001e-04 0.000000000000e+00 3.125000000000e-01
|
||||
13 1.000000000001e-03 1.502206823478e-10 2.000000000001e-04 0.000000000000e+00 3.375000000000e-01
|
||||
14 1.000000000001e-03 1.222542814082e-09 2.000000000001e-04 0.000000000000e+00 3.625000000000e-01
|
||||
15 1.000000000001e-03 6.992469594648e-09 2.000000000001e-04 0.000000000000e+00 3.875000000000e-01
|
||||
16 1.000000000001e-03 3.048043444697e-08 2.000000000001e-04 0.000000000000e+00 4.125000000000e-01
|
||||
17 1.000000000000e-03 1.071736887963e-07 2.000000000002e-04 0.000000000000e+00 4.375000000000e-01
|
||||
18 1.000000000000e-03 3.167880513057e-07 2.000000000004e-04 0.000000000000e+00 4.625000000000e-01
|
||||
19 9.999999999996e-04 8.119152414853e-07 2.000000000010e-04 0.000000000000e+00 4.875000000000e-01
|
||||
20 9.999999999969e-04 1.847753785443e-06 2.000000000038e-04 0.000000000000e+00 5.125000000000e-01
|
||||
21 9.999999999827e-04 3.804229077195e-06 2.000000000179e-04 0.000000000000e+00 5.375000000000e-01
|
||||
22 9.999999999205e-04 7.191769368188e-06 2.000000000800e-04 0.000000000000e+00 5.625000000000e-01
|
||||
23 9.999999996780e-04 1.263506022590e-05 2.000000003226e-04 0.000000000000e+00 5.875000000000e-01
|
||||
24 9.999999988273e-04 2.083413717341e-05 2.000000011732e-04 0.000000000000e+00 6.125000000000e-01
|
||||
25 9.999999961127e-04 3.250742767801e-05 2.000000038882e-04 0.000000000000e+00 6.375000000000e-01
|
||||
26 9.999999881436e-04 4.832522920786e-05 2.000000118574e-04 0.000000000000e+00 6.625000000000e-01
|
||||
27 9.999999664326e-04 6.884373212029e-05 2.000000335677e-04 0.000000000000e+00 6.875000000000e-01
|
||||
28 9.999999111053e-04 9.444901160399e-05 2.000000888947e-04 0.000000000000e+00 7.125000000000e-01
|
||||
29 9.999997782999e-04 1.253179893826e-04 2.000002216984e-04 0.000000000000e+00 7.375000000000e-01
|
||||
30 9.999994762263e-04 1.614000573149e-04 2.000005237713e-04 0.000000000000e+00 7.625000000000e-01
|
||||
31 9.999988216501e-04 2.024196971846e-04 2.000011783465e-04 0.000000000000e+00 7.875000000000e-01
|
||||
32 9.999974639177e-04 2.478976466374e-04 2.000025360780e-04 0.000000000000e+00 8.125000000000e-01
|
||||
33 9.999947567695e-04 2.971862880219e-04 2.000052432252e-04 0.000000000000e+00 8.375000000000e-01
|
||||
34 9.999895484279e-04 3.495140484286e-04 2.000104515658e-04 0.000000000000e+00 8.625000000000e-01
|
||||
35 9.999798465390e-04 4.040335770972e-04 2.000201534538e-04 0.000000000000e+00 8.875000000000e-01
|
||||
36 9.999622949296e-04 4.598690859751e-04 2.000377050623e-04 0.000000000000e+00 9.125000000000e-01
|
||||
37 9.999313715129e-04 5.161592448424e-04 2.000686284782e-04 0.000000000000e+00 9.375000000000e-01
|
||||
38 9.998781779394e-04 5.720931802492e-04 2.001218220509e-04 0.000000000000e+00 9.625000000000e-01
|
||||
39 9.997886375328e-04 6.269382550211e-04 2.002113624569e-04 0.000000000000e+00 9.875000000000e-01
|
||||
40 9.996408433311e-04 6.800592808323e-04 2.003591566592e-04 0.000000000000e+00 1.012500000000e+00
|
||||
41 9.994011963772e-04 7.309295762325e-04 2.005988036124e-04 0.000000000000e+00 1.037500000000e+00
|
||||
42 9.990188398148e-04 7.791348087968e-04 2.009811601742e-04 0.000000000000e+00 1.062500000000e+00
|
||||
43 9.984177243185e-04 8.243708674758e-04 2.015822756708e-04 0.000000000000e+00 1.087500000000e+00
|
||||
44 9.974854440232e-04 8.664371340741e-04 2.025145559656e-04 0.000000000000e+00 1.112500000000e+00
|
||||
45 9.960577965326e-04 9.052265038233e-04 2.039422034560e-04 0.000000000000e+00 1.137500000000e+00
|
||||
46 9.938979448378e-04 9.407133877483e-04 2.061020551494e-04 0.000000000000e+00 1.162500000000e+00
|
||||
47 9.906693148732e-04 9.729407531498e-04 2.093306851137e-04 0.000000000000e+00 1.187500000000e+00
|
||||
48 9.859023902769e-04 1.002007055046e-03 2.140976097098e-04 0.000000000000e+00 1.212500000000e+00
|
||||
49 9.789581361256e-04 1.028053705197e-03 2.210418638608e-04 0.000000000000e+00 1.237500000000e+00
|
||||
50 9.689960048283e-04 1.051253532901e-03 2.310039951580e-04 0.000000000000e+00 1.262500000000e+00
|
||||
51 9.549633447242e-04 1.071800523379e-03 2.450366552618e-04 0.000000000000e+00 1.287500000000e+00
|
||||
52 9.356347670797e-04 1.089900980030e-03 2.643652329060e-04 0.000000000000e+00 1.312500000000e+00
|
||||
53 9.097384638237e-04 1.105766147280e-03 2.902615361617e-04 0.000000000000e+00 1.337500000000e+00
|
||||
54 8.761960899973e-04 1.119606249493e-03 3.238039099878e-04 0.000000000000e+00 1.362500000000e+00
|
||||
55 8.344533301406e-04 1.131625845338e-03 3.655466698441e-04 0.000000000000e+00 1.387500000000e+00
|
||||
56 7.847919650475e-04 1.142020362045e-03 4.152080349369e-04 0.000000000000e+00 1.412500000000e+00
|
||||
57 7.284538372959e-04 1.150973656035e-03 4.715461626881e-04 3.531139650213e-28 1.437500000000e+00
|
||||
58 6.674661295231e-04 1.158656441394e-03 5.325338704605e-04 4.216133178352e-26 1.462500000000e+00
|
||||
59 6.042301758578e-04 1.165225432017e-03 5.957698241254e-04 2.112623929847e-24 1.487500000000e+00
|
||||
60 5.410707042902e-04 1.170823053923e-03 6.589292956926e-04 9.154192241148e-23 1.512500000000e+00
|
||||
61 4.799177066706e-04 1.175577598779e-03 7.200822933118e-04 3.514353871102e-21 1.537500000000e+00
|
||||
62 4.221746364521e-04 1.179603706071e-03 7.778253635299e-04 1.207213754642e-19 1.562500000000e+00
|
||||
63 3.687296865690e-04 1.183003078326e-03 8.312703134126e-04 3.694071268301e-18 1.587500000000e+00
|
||||
64 3.200378094467e-04 1.185865350144e-03 8.799621905343e-04 1.035721724513e-16 1.612500000000e+00
|
||||
65 2.762284431584e-04 1.188269047043e-03 9.237715568171e-04 2.657316487700e-15 1.637500000000e+00
|
||||
66 2.371960440990e-04 1.190282583741e-03 9.628039557559e-04 6.272120678985e-14 1.662500000000e+00
|
||||
67 2.026802660677e-04 1.191965263410e-03 9.973197311041e-04 1.404108206640e-12 1.687500000000e+00
|
||||
68 1.723175379753e-04 1.193368249524e-03 1.027682402586e-03 2.970943178734e-11 1.712500000000e+00
|
||||
69 1.456986526365e-04 1.194535490349e-03 1.054300174205e-03 5.865691832666e-10 1.737500000000e+00
|
||||
70 1.223834694923e-04 1.195504582884e-03 1.077593516927e-03 1.150677988345e-08 1.762500000000e+00
|
||||
71 1.019262303182e-04 1.196307568531e-03 1.097657241059e-03 2.082643005567e-07 1.787500000000e+00
|
||||
72 8.381480436917e-05 1.196971656899e-03 1.109525476375e-03 3.329859617448e-06 1.812500000000e+00
|
||||
73 6.668225222783e-05 1.197519877322e-03 1.024937206784e-03 5.419027048446e-05 1.837500000000e+00
|
||||
74 5.053198367604e-05 1.197971659937e-03 7.350507107061e-04 2.072086528030e-04 1.862500000000e+00
|
||||
75 3.879701357395e-05 1.198343349753e-03 5.356918142767e-04 3.127555860708e-04 1.887500000000e+00
|
||||
76 3.007678322722e-05 1.198648658204e-03 4.021188008094e-04 3.839022079790e-04 1.912500000000e+00
|
||||
77 2.344463549483e-05 1.198899057198e-03 3.068522371411e-04 4.348515636801e-04 1.937500000000e+00
|
||||
78 1.834047972307e-05 1.199104120993e-03 2.366187847945e-04 4.725203677398e-04 1.962500000000e+00
|
||||
79 1.438416333582e-05 1.199271821253e-03 1.838015689086e-04 5.009071338768e-04 1.987500000000e+00
|
||||
80 1.130287552755e-05 1.199408780437e-03 1.435541337153e-04 5.225714953778e-04 2.012500000000e+00
|
||||
81 8.894854154099e-06 1.199520488471e-03 1.125953626079e-04 5.392548916185e-04 2.037500000000e+00
|
||||
82 7.008145850810e-06 1.199611487223e-03 8.861328635354e-05 5.521892838974e-04 2.062500000000e+00
|
||||
83 5.526939767886e-06 1.199685527005e-03 6.993373977306e-05 5.622696602292e-04 2.087500000000e+00
|
||||
84 4.362237388672e-06 1.199745698858e-03 5.532050326743e-05 5.701586296717e-04 2.112500000000e+00
|
||||
85 3.445231625616e-06 1.199794545990e-03 4.384740222256e-05 5.763536830758e-04 2.137500000000e+00
|
||||
86 2.722483623513e-06 1.199834157394e-03 3.481279241283e-05 5.812323619826e-04 2.162500000000e+00
|
||||
87 2.152343734153e-06 1.199866246232e-03 2.768046312193e-05 5.850835965725e-04 2.187500000000e+00
|
||||
88 1.702259902002e-06 1.199892215323e-03 2.203774543638e-05 5.881299973317e-04 2.212500000000e+00
|
||||
89 1.346733078607e-06 1.199913211686e-03 1.756522033724e-05 5.905440232928e-04 2.237500000000e+00
|
||||
90 1.065752199293e-06 1.199930171882e-03 1.401446577327e-05 5.924598910143e-04 2.262500000000e+00
|
||||
91 8.435890597776e-07 1.199943859609e-03 1.119149963194e-05 5.939824556550e-04 2.287500000000e+00
|
||||
92 6.678659094763e-07 1.199954896813e-03 8.944331673377e-06 5.951939012093e-04 2.312500000000e+00
|
||||
93 5.288312745990e-07 1.199963789378e-03 7.153523668294e-06 5.961588225292e-04 2.337500000000e+00
|
||||
94 4.187957414427e-07 1.199970948301e-03 5.724978921457e-06 5.969281126691e-04 2.362500000000e+00
|
||||
95 3.316912256408e-07 1.199976707113e-03 4.584400974714e-06 5.975419539002e-04 2.387500000000e+00
|
||||
96 2.627259549757e-07 1.199981336185e-03 3.673012861562e-06 5.980321305921e-04 2.412500000000e+00
|
||||
97 2.081138874134e-07 1.199985054462e-03 2.944235324406e-06 5.984238253944e-04 2.437500000000e+00
|
||||
98 1.648621779965e-07 1.199988039067e-03 2.361099157053e-06 5.987370193327e-04 2.462500000000e+00
|
||||
99 1.306040218716e-07 1.199990433149e-03 1.894222604012e-06 5.989875866872e-04 2.487500000000e+00
|
||||
100 1.034670378746e-07 1.199992352295e-03 1.520225735974e-06 5.991881536132e-04 2.512500000000e+00
|
||||
8 1.000000000001e-03 3.099695935216e-22 2.000000000001e-04 0.000000000000e+00 2.125000000000e-01
|
||||
9 1.000000000001e-03 1.500905973391e-17 2.000000000001e-04 0.000000000000e+00 2.375000000000e-01
|
||||
10 1.000000000001e-03 6.337810130194e-15 2.000000000001e-04 0.000000000000e+00 2.625000000000e-01
|
||||
11 1.000000000001e-03 4.494806174889e-13 2.000000000001e-04 0.000000000000e+00 2.875000000000e-01
|
||||
12 1.000000000001e-03 1.148716182625e-11 2.000000000001e-04 0.000000000000e+00 3.125000000000e-01
|
||||
13 1.000000000001e-03 1.502206811058e-10 2.000000000001e-04 0.000000000000e+00 3.375000000000e-01
|
||||
14 1.000000000001e-03 1.222542811910e-09 2.000000000001e-04 0.000000000000e+00 3.625000000000e-01
|
||||
15 1.000000000001e-03 6.992469583284e-09 2.000000000002e-04 0.000000000000e+00 3.875000000000e-01
|
||||
16 1.000000000000e-03 3.048043440204e-08 2.000000000003e-04 0.000000000000e+00 4.125000000000e-01
|
||||
17 1.000000000000e-03 1.071736884874e-07 2.000000000005e-04 0.000000000000e+00 4.375000000000e-01
|
||||
18 9.999999999997e-04 3.167880505857e-07 2.000000000010e-04 0.000000000000e+00 4.625000000000e-01
|
||||
19 9.999999999987e-04 8.119152403764e-07 2.000000000020e-04 0.000000000000e+00 4.875000000000e-01
|
||||
20 9.999999999961e-04 1.847753784000e-06 2.000000000046e-04 0.000000000000e+00 5.125000000000e-01
|
||||
21 9.999999999821e-04 3.804229075475e-06 2.000000000187e-04 0.000000000000e+00 5.375000000000e-01
|
||||
22 9.999999999200e-04 7.191769366246e-06 2.000000000808e-04 0.000000000000e+00 5.625000000000e-01
|
||||
23 9.999999996775e-04 1.263506022269e-05 2.000000003233e-04 0.000000000000e+00 5.875000000000e-01
|
||||
24 9.999999988269e-04 2.083413717053e-05 2.000000011739e-04 0.000000000000e+00 6.125000000000e-01
|
||||
25 9.999999961119e-04 3.250742767479e-05 2.000000038888e-04 0.000000000000e+00 6.375000000000e-01
|
||||
26 9.999999881427e-04 4.832522920503e-05 2.000000118579e-04 0.000000000000e+00 6.625000000000e-01
|
||||
27 9.999999664322e-04 6.884373211788e-05 2.000000335683e-04 0.000000000000e+00 6.875000000000e-01
|
||||
28 9.999999111049e-04 9.444901160173e-05 2.000000888954e-04 0.000000000000e+00 7.125000000000e-01
|
||||
29 9.999997783005e-04 1.253179893805e-04 2.000002216994e-04 0.000000000000e+00 7.375000000000e-01
|
||||
30 9.999994762268e-04 1.614000573129e-04 2.000005237726e-04 0.000000000000e+00 7.625000000000e-01
|
||||
31 9.999988216503e-04 2.024196971827e-04 2.000011783485e-04 0.000000000000e+00 7.875000000000e-01
|
||||
32 9.999974639172e-04 2.478976466357e-04 2.000025360800e-04 0.000000000000e+00 8.125000000000e-01
|
||||
33 9.999947567688e-04 2.971862880203e-04 2.000052432271e-04 0.000000000000e+00 8.375000000000e-01
|
||||
34 9.999895484269e-04 3.495140484272e-04 2.000104515676e-04 0.000000000000e+00 8.625000000000e-01
|
||||
35 9.999798465377e-04 4.040335770959e-04 2.000201534554e-04 0.000000000000e+00 8.875000000000e-01
|
||||
36 9.999622949280e-04 4.598690859739e-04 2.000377050639e-04 0.000000000000e+00 9.125000000000e-01
|
||||
37 9.999313715110e-04 5.161592448413e-04 2.000686284796e-04 0.000000000000e+00 9.375000000000e-01
|
||||
38 9.998781779370e-04 5.720931802482e-04 2.001218220523e-04 0.000000000000e+00 9.625000000000e-01
|
||||
39 9.997886375300e-04 6.269382550202e-04 2.002113624581e-04 0.000000000000e+00 9.875000000000e-01
|
||||
40 9.996408433268e-04 6.800592808307e-04 2.003591566602e-04 0.000000000000e+00 1.012500000000e+00
|
||||
41 9.994011963725e-04 7.309295762311e-04 2.005988036133e-04 0.000000000000e+00 1.037500000000e+00
|
||||
42 9.990188398097e-04 7.791348087955e-04 2.009811601751e-04 0.000000000000e+00 1.062500000000e+00
|
||||
43 9.984177243120e-04 8.243708674740e-04 2.015822756719e-04 0.000000000000e+00 1.087500000000e+00
|
||||
44 9.974854440159e-04 8.664371340724e-04 2.025145559672e-04 0.000000000000e+00 1.112500000000e+00
|
||||
45 9.960577965245e-04 9.052265038216e-04 2.039422034574e-04 0.000000000000e+00 1.137500000000e+00
|
||||
46 9.938979448300e-04 9.407133877476e-04 2.061020551507e-04 0.000000000000e+00 1.162500000000e+00
|
||||
47 9.906693148653e-04 9.729407531493e-04 2.093306851145e-04 0.000000000000e+00 1.187500000000e+00
|
||||
48 9.859023902690e-04 1.002007055046e-03 2.140976097102e-04 0.000000000000e+00 1.212500000000e+00
|
||||
49 9.789581361180e-04 1.028053705196e-03 2.210418638607e-04 0.000000000000e+00 1.237500000000e+00
|
||||
50 9.689960048214e-04 1.051253532901e-03 2.310039951572e-04 0.000000000000e+00 1.262500000000e+00
|
||||
51 9.549633447183e-04 1.071800523379e-03 2.450366552601e-04 0.000000000000e+00 1.287500000000e+00
|
||||
52 9.356347670752e-04 1.089900980030e-03 2.643652329033e-04 0.000000000000e+00 1.312500000000e+00
|
||||
53 9.097384638210e-04 1.105766147279e-03 2.902615361578e-04 0.000000000000e+00 1.337500000000e+00
|
||||
54 8.761960899965e-04 1.119606249493e-03 3.238039099829e-04 0.000000000000e+00 1.362500000000e+00
|
||||
55 8.344533301419e-04 1.131625845338e-03 3.655466698383e-04 0.000000000000e+00 1.387500000000e+00
|
||||
56 7.847919650505e-04 1.142020362045e-03 4.152080349307e-04 0.000000000000e+00 1.412500000000e+00
|
||||
57 7.284538373002e-04 1.150973656035e-03 4.715461626821e-04 3.527692751705e-28 1.437500000000e+00
|
||||
58 6.674661295281e-04 1.158656441394e-03 5.325338704552e-04 4.210831843280e-26 1.462500000000e+00
|
||||
59 6.042301758632e-04 1.165225432016e-03 5.957698241215e-04 2.111264378881e-24 1.487500000000e+00
|
||||
60 5.410707042956e-04 1.170823053923e-03 6.589292956904e-04 9.153155104822e-23 1.512500000000e+00
|
||||
61 4.799177066756e-04 1.175577598779e-03 7.200822933117e-04 3.514330827253e-21 1.537500000000e+00
|
||||
62 4.221746364565e-04 1.179603706072e-03 7.778253635321e-04 1.207213314352e-19 1.562500000000e+00
|
||||
63 3.687296865729e-04 1.183003078326e-03 8.312703134170e-04 3.694071124104e-18 1.587500000000e+00
|
||||
64 3.200378094500e-04 1.185865350144e-03 8.799621905409e-04 1.035721709812e-16 1.612500000000e+00
|
||||
65 2.762284431611e-04 1.188269047044e-03 9.237715568259e-04 2.657316467811e-15 1.637500000000e+00
|
||||
66 2.371960441011e-04 1.190282583742e-03 9.628039557667e-04 6.272120651918e-14 1.662500000000e+00
|
||||
67 2.026802660693e-04 1.191965263410e-03 9.973197311165e-04 1.404108203279e-12 1.687500000000e+00
|
||||
68 1.723175379765e-04 1.193368249524e-03 1.027682402599e-03 2.970943173885e-11 1.712500000000e+00
|
||||
69 1.456986526374e-04 1.194535490349e-03 1.054300174220e-03 5.865691827083e-10 1.737500000000e+00
|
||||
70 1.223834694930e-04 1.195504582884e-03 1.077593516943e-03 1.150677987322e-08 1.762500000000e+00
|
||||
71 1.019262303188e-04 1.196307568530e-03 1.097657241077e-03 2.082643003552e-07 1.787500000000e+00
|
||||
72 8.381480436988e-05 1.196971656898e-03 1.109525476398e-03 3.329859614474e-06 1.812500000000e+00
|
||||
73 6.668225222962e-05 1.197519877322e-03 1.024937206893e-03 5.419027043882e-05 1.837500000000e+00
|
||||
74 5.053198367741e-05 1.197971659937e-03 7.350507108179e-04 2.072086527560e-04 1.862500000000e+00
|
||||
75 3.879701357474e-05 1.198343349752e-03 5.356918143586e-04 3.127555860395e-04 1.887500000000e+00
|
||||
76 3.007678322769e-05 1.198648658204e-03 4.021188008750e-04 3.839022079564e-04 1.912500000000e+00
|
||||
77 2.344463549509e-05 1.198899057198e-03 3.068522371966e-04 4.348515636630e-04 1.937500000000e+00
|
||||
78 1.834047972320e-05 1.199104120993e-03 2.366187848432e-04 4.725203677266e-04 1.962500000000e+00
|
||||
79 1.438416333586e-05 1.199271821253e-03 1.838015689528e-04 5.009071338667e-04 1.987500000000e+00
|
||||
80 1.130287552753e-05 1.199408780438e-03 1.435541337563e-04 5.225714953698e-04 2.012500000000e+00
|
||||
81 8.894854154048e-06 1.199520488471e-03 1.125953626463e-04 5.392548916117e-04 2.037500000000e+00
|
||||
82 7.008145850738e-06 1.199611487223e-03 8.861328638935e-05 5.521892838915e-04 2.062500000000e+00
|
||||
83 5.526939767802e-06 1.199685527006e-03 6.993373980612e-05 5.622696602240e-04 2.087500000000e+00
|
||||
84 4.362237388583e-06 1.199745698858e-03 5.532050329786e-05 5.701586296671e-04 2.112500000000e+00
|
||||
85 3.445231625528e-06 1.199794545990e-03 4.384740225026e-05 5.763536830716e-04 2.137500000000e+00
|
||||
86 2.722483623426e-06 1.199834157394e-03 3.481279243709e-05 5.812323619783e-04 2.162500000000e+00
|
||||
87 2.152343734072e-06 1.199866246232e-03 2.768046314401e-05 5.850835965688e-04 2.187500000000e+00
|
||||
88 1.702259901924e-06 1.199892215323e-03 2.203774545530e-05 5.881299973283e-04 2.212500000000e+00
|
||||
89 1.346733078537e-06 1.199913211686e-03 1.756522035378e-05 5.905440232898e-04 2.237500000000e+00
|
||||
90 1.065752199229e-06 1.199930171882e-03 1.401446578768e-05 5.924598910117e-04 2.262500000000e+00
|
||||
91 8.435890597178e-07 1.199943859609e-03 1.119149964379e-05 5.939824556526e-04 2.287500000000e+00
|
||||
92 6.678659094228e-07 1.199954896813e-03 8.944331683465e-06 5.951939012073e-04 2.312500000000e+00
|
||||
93 5.288312745517e-07 1.199963789378e-03 7.153523676926e-06 5.961588225274e-04 2.337500000000e+00
|
||||
94 4.187957414013e-07 1.199970948301e-03 5.724978928847e-06 5.969281126675e-04 2.362500000000e+00
|
||||
95 3.316912256047e-07 1.199976707113e-03 4.584400981034e-06 5.975419538989e-04 2.387500000000e+00
|
||||
96 2.627259549445e-07 1.199981336185e-03 3.673012866959e-06 5.980321305909e-04 2.412500000000e+00
|
||||
97 2.081138873864e-07 1.199985054462e-03 2.944235329006e-06 5.984238253934e-04 2.437500000000e+00
|
||||
98 1.648621779734e-07 1.199988039067e-03 2.361099160966e-06 5.987370193318e-04 2.462500000000e+00
|
||||
99 1.306040218517e-07 1.199990433149e-03 1.894222607335e-06 5.989875866865e-04 2.487500000000e+00
|
||||
100 1.034670378576e-07 1.199992352295e-03 1.520225738791e-06 5.991881536126e-04 2.512500000000e+00
|
||||
|
||||
120
ex12.sel
120
ex12.sel
@ -64,63 +64,63 @@
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166666 2.173421535646e+01 2.173403615953e+01 2.265963837554e+00 2.269804797032e+01
|
||||
0.499999 1.732877881136e+01 1.732819001087e+01 6.671809981447e+00 2.011807085412e+01
|
||||
0.833333 1.328084086481e+01 1.327978568454e+01 1.072021430458e+01 1.760856603204e+01
|
||||
1.16667 9.764795284605e+00 9.763307030585e+00 1.423669295683e+01 1.521227157407e+01
|
||||
1.5 6.876991639258e+00 6.875215357913e+00 1.712478462908e+01 1.296595961051e+01
|
||||
1.83333 4.633455927868e+00 4.631602980060e+00 1.936839700747e+01 1.089879733963e+01
|
||||
2.16666 2.983966658160e+00 2.982242889576e+00 2.101775709910e+01 9.031344427781e+00
|
||||
2.5 1.835677067321e+00 1.834226374349e+00 2.216577361580e+01 7.375229710910e+00
|
||||
2.83333 1.078314727984e+00 1.077198297073e+00 2.292280169464e+01 5.933476222844e+00
|
||||
3.16666 6.047305559881e-01 6.039382767914e-01 2.339606171644e+01 4.701379781820e+00
|
||||
3.5 3.237709471477e-01 3.232490525632e-01 2.367675094204e+01 3.667800399953e+00
|
||||
3.83333 1.655104664919e-01 1.651896628002e-01 2.383481033299e+01 2.816701882844e+00
|
||||
4.16666 8.080257208790e-02 8.061777229753e-02 2.391938222449e+01 2.128773573946e+00
|
||||
4.5 3.768568648974e-02 3.758557520676e-02 2.396241442239e+01 1.582986272153e+00
|
||||
4.83333 1.679767757983e-02 1.674652868459e-02 2.398325346955e+01 1.157966472262e+00
|
||||
5.16666 7.158752068527e-03 7.134045500783e-03 2.399286595322e+01 8.331126368298e-01
|
||||
5.49999 2.918449216371e-03 2.907143229955e-03 2.399709285586e+01 5.894176946328e-01
|
||||
5.83333 1.138722696853e-03 1.133812460285e-03 2.399886618691e+01 4.099979928622e-01
|
||||
6.16666 4.254688739372e-04 4.234417524596e-04 2.399957655782e+01 2.803568840129e-01
|
||||
6.49999 1.523139983733e-04 1.515173752178e-04 2.399984848233e+01 1.884293356574e-01
|
||||
6.83333 5.227267561574e-05 5.197429168637e-05 2.399994802552e+01 1.244625136586e-01
|
||||
7.16666 1.720732481390e-05 1.710067686712e-05 2.399998289920e+01 8.078763518547e-02
|
||||
7.49999 5.436192377492e-06 5.399780020770e-06 2.399999460014e+01 5.153271367855e-02
|
||||
7.83333 1.649130960882e-06 1.637243353861e-06 2.399999836271e+01 3.231654723819e-02
|
||||
8.16666 4.806491384918e-07 4.769347036557e-07 2.399999952303e+01 1.995365519988e-02
|
||||
8.49999 1.346725367296e-07 1.335606226401e-07 2.399999986642e+01 1.218958904340e-02
|
||||
8.83332 3.634765900813e-08 3.602792250445e-08 2.399999996396e+01 7.477287156789e-03
|
||||
9.16666 9.688623041821e-09 9.597781456237e-09 2.399999999039e+01 4.798487471577e-03
|
||||
9.49999 3.521368977494e-09 3.486221174512e-09 2.399999999651e+01 3.529761278078e-03
|
||||
9.83332 5.266906602284e-09 5.215747970494e-09 2.399999999478e+01 3.350250042338e-03
|
||||
10.1667 1.826871464878e-08 1.810246493779e-08 2.399999998189e+01 4.187235209478e-03
|
||||
10.5 6.734356351424e-08 6.676736728859e-08 2.399999993322e+01 6.195716015130e-03
|
||||
10.8333 2.402639315261e-07 2.383343475339e-07 2.399999976165e+01 9.768664014259e-03
|
||||
11.1667 8.242843021403e-07 8.180891310115e-07 2.399999918189e+01 1.557505013666e-02
|
||||
11.5 2.716922550563e-06 2.697877300187e-06 2.399999730208e+01 2.462264894765e-02
|
||||
11.8333 8.598959195576e-06 8.542946913518e-06 2.399999145699e+01 3.834165440595e-02
|
||||
12.1667 2.611819664726e-05 2.596074280454e-05 2.399997403917e+01 5.868305693760e-02
|
||||
12.5 7.608967018345e-05 7.566701745618e-05 2.399992433285e+01 8.822247450201e-02
|
||||
12.8333 2.124941138848e-04 2.114118449125e-04 2.399978858795e+01 1.302558794738e-01
|
||||
13.1667 5.685367830447e-04 5.658959587685e-04 2.399943410375e+01 1.888688939345e-01
|
||||
13.5 1.456506511482e-03 1.450373187822e-03 2.399854962640e+01 2.689568433456e-01
|
||||
13.8333 3.570772370464e-03 3.557230846966e-03 2.399644276858e+01 3.761696764504e-01
|
||||
14.1667 8.372702448878e-03 8.344318209114e-03 2.399165568100e+01 5.167554989993e-01
|
||||
14.5 1.876668623866e-02 1.871028306262e-02 2.398128971588e+01 6.972801618698e-01
|
||||
14.8333 4.018855159260e-02 4.008246069532e-02 2.395991753791e+01 9.242091443387e-01
|
||||
15.1667 8.218587186998e-02 8.199729506180e-02 2.391800270313e+01 1.203352315083e+00
|
||||
15.5 1.604262489166e-01 1.601100284715e-01 2.383988996925e+01 1.539191520809e+00
|
||||
15.8333 2.987859018794e-01 2.982865097097e-01 2.370171348749e+01 1.934133647612e+00
|
||||
16.1667 5.307585250826e-01 5.300169112943e-01 2.346998308535e+01 2.387754908519e+00
|
||||
16.5 8.989956902585e-01 8.979611508074e-01 2.310203884528e+01 2.896121734266e+00
|
||||
16.8333 1.451582042860e+00 1.450226361452e+00 2.254977363414e+01 3.451285434102e+00
|
||||
17.1666 2.233972730531e+00 2.232300602876e+00 2.176769939234e+01 4.041047732562e+00
|
||||
17.5 3.276610345963e+00 3.274658958333e+00 2.072534103671e+01 4.649079608378e+00
|
||||
17.8333 4.580032364282e+00 4.577856581120e+00 1.942214341402e+01 5.255445898757e+00
|
||||
18.1666 6.101263068319e+00 6.098911107801e+00 1.790108888775e+01 5.837544906627e+00
|
||||
18.5 7.746550871479e+00 7.744044086582e+00 1.625595590970e+01 6.371420572385e+00
|
||||
18.8333 9.375124347455e+00 9.372456106636e+00 1.462754389061e+01 6.833351769771e+00
|
||||
19.1666 1.081616435426e+01 1.081332243663e+01 1.318667756164e+01 7.201577340319e+00
|
||||
19.5 1.189711476997e+01 1.189411416971e+01 1.210588582943e+01 7.457984760712e+00
|
||||
19.8333 1.247718192013e+01 1.247408415261e+01 1.152591584704e+01 7.589581188890e+00
|
||||
0.166666 2.173421535646e+01 2.173403615952e+01 2.265963837553e+00 2.269804797032e+01
|
||||
0.499999 1.732877881136e+01 1.732819001086e+01 6.671809981446e+00 2.011807085410e+01
|
||||
0.833333 1.328084086481e+01 1.327978568452e+01 1.072021430458e+01 1.760856603200e+01
|
||||
1.16667 9.764795284605e+00 9.763307030575e+00 1.423669295682e+01 1.521227157402e+01
|
||||
1.5 6.876991639258e+00 6.875215357908e+00 1.712478462907e+01 1.296595961048e+01
|
||||
1.83333 4.633455927868e+00 4.631602980059e+00 1.936839700746e+01 1.089879733960e+01
|
||||
2.16666 2.983966658160e+00 2.982242889579e+00 2.101775709909e+01 9.031344427757e+00
|
||||
2.5 1.835677067321e+00 1.834226374356e+00 2.216577361579e+01 7.375229710892e+00
|
||||
2.83333 1.078314727984e+00 1.077198297082e+00 2.292280169463e+01 5.933476222831e+00
|
||||
3.16666 6.047305559881e-01 6.039382768019e-01 2.339606171642e+01 4.701379781811e+00
|
||||
3.5 3.237709471477e-01 3.232490525737e-01 2.367675094202e+01 3.667800399947e+00
|
||||
3.83333 1.655104664919e-01 1.651896628094e-01 2.383481033297e+01 2.816701882840e+00
|
||||
4.16666 8.080257208790e-02 8.061777230439e-02 2.391938222446e+01 2.128773573943e+00
|
||||
4.5 3.768568648974e-02 3.758557521047e-02 2.396241442236e+01 1.582986272151e+00
|
||||
4.83333 1.679767757983e-02 1.674652868515e-02 2.398325346951e+01 1.157966472261e+00
|
||||
5.16666 7.158752068527e-03 7.134045498639e-03 2.399286595319e+01 8.331126368288e-01
|
||||
5.49999 2.918449216371e-03 2.907143228024e-03 2.399709285582e+01 5.894176946317e-01
|
||||
5.83333 1.138722696853e-03 1.133812458958e-03 2.399886618686e+01 4.099979928610e-01
|
||||
6.16666 4.254688739372e-04 4.234417516203e-04 2.399957655776e+01 2.803568840115e-01
|
||||
6.49999 1.523139983733e-04 1.515173747129e-04 2.399984848228e+01 1.884293356558e-01
|
||||
6.83333 5.227267561574e-05 5.197429139505e-05 2.399994802546e+01 1.244625136568e-01
|
||||
7.16666 1.720732481390e-05 1.710067670559e-05 2.399998289914e+01 8.078763518346e-02
|
||||
7.49999 5.436192377492e-06 5.399779934721e-06 2.399999460008e+01 5.153271367642e-02
|
||||
7.83333 1.649130960882e-06 1.637243309891e-06 2.399999836265e+01 3.231654723603e-02
|
||||
8.16666 4.806491384918e-07 4.769346821798e-07 2.399999952298e+01 1.995365519780e-02
|
||||
8.49999 1.346725367296e-07 1.335606127303e-07 2.399999986637e+01 1.218958904147e-02
|
||||
8.83332 3.634765900813e-08 3.602791839459e-08 2.399999996391e+01 7.477287155024e-03
|
||||
9.16666 9.688623041821e-09 9.597780290504e-09 2.399999999035e+01 4.798487469933e-03
|
||||
9.49999 3.521368977494e-09 3.486222293220e-09 2.399999999646e+01 3.529761276501e-03
|
||||
9.83332 5.266906602284e-09 5.215749226507e-09 2.399999999473e+01 3.350250040814e-03
|
||||
10.1667 1.826871464878e-08 1.810246324016e-08 2.399999998184e+01 4.187235208024e-03
|
||||
10.5 6.734356351424e-08 6.676736160418e-08 2.399999993318e+01 6.195716013747e-03
|
||||
10.8333 2.402639315261e-07 2.383343345219e-07 2.399999976160e+01 9.768664012917e-03
|
||||
11.1667 8.242843021403e-07 8.180891038829e-07 2.399999918184e+01 1.557505013534e-02
|
||||
11.5 2.716922550563e-06 2.697877246518e-06 2.399999730203e+01 2.462264894634e-02
|
||||
11.8333 8.598959195576e-06 8.542946811951e-06 2.399999145694e+01 3.834165440468e-02
|
||||
12.1667 2.611819664726e-05 2.596074262029e-05 2.399997403911e+01 5.868305693642e-02
|
||||
12.5 7.608967018345e-05 7.566701713579e-05 2.399992433280e+01 8.822247450093e-02
|
||||
12.8333 2.124941138848e-04 2.114118443810e-04 2.399978858791e+01 1.302558794728e-01
|
||||
13.1667 5.685367830447e-04 5.658959579464e-04 2.399943410371e+01 1.888688939337e-01
|
||||
13.5 1.456506511482e-03 1.450373186789e-03 2.399854962636e+01 2.689568433448e-01
|
||||
13.8333 3.570772370464e-03 3.557230846911e-03 2.399644276854e+01 3.761696764497e-01
|
||||
14.1667 8.372702448878e-03 8.344318210639e-03 2.399165568097e+01 5.167554989985e-01
|
||||
14.5 1.876668623866e-02 1.871028306587e-02 2.398128971585e+01 6.972801618690e-01
|
||||
14.8333 4.018855159260e-02 4.008246070012e-02 2.395991753788e+01 9.242091443376e-01
|
||||
15.1667 8.218587186998e-02 8.199729506765e-02 2.391800270312e+01 1.203352315082e+00
|
||||
15.5 1.604262489166e-01 1.601100284779e-01 2.383988996924e+01 1.539191520807e+00
|
||||
15.8333 2.987859018794e-01 2.982865097159e-01 2.370171348748e+01 1.934133647610e+00
|
||||
16.1667 5.307585250826e-01 5.300169113002e-01 2.346998308534e+01 2.387754908516e+00
|
||||
16.5 8.989956902585e-01 8.979611508127e-01 2.310203884528e+01 2.896121734263e+00
|
||||
16.8333 1.451582042860e+00 1.450226361457e+00 2.254977363414e+01 3.451285434098e+00
|
||||
17.1666 2.233972730531e+00 2.232300602882e+00 2.176769939234e+01 4.041047732557e+00
|
||||
17.5 3.276610345963e+00 3.274658958341e+00 2.072534103671e+01 4.649079608373e+00
|
||||
17.8333 4.580032364282e+00 4.577856581130e+00 1.942214341402e+01 5.255445898751e+00
|
||||
18.1666 6.101263068319e+00 6.098911107813e+00 1.790108888775e+01 5.837544906621e+00
|
||||
18.5 7.746550871479e+00 7.744044086595e+00 1.625595590970e+01 6.371420572379e+00
|
||||
18.8333 9.375124347455e+00 9.372456106649e+00 1.462754389060e+01 6.833351769764e+00
|
||||
19.1666 1.081616435426e+01 1.081332243664e+01 1.318667756164e+01 7.201577340311e+00
|
||||
19.5 1.189711476997e+01 1.189411416972e+01 1.210588582943e+01 7.457984760704e+00
|
||||
19.8333 1.247718192013e+01 1.247408415262e+01 1.152591584704e+01 7.589581188882e+00
|
||||
|
||||
198
ex12a.sel
198
ex12a.sel
@ -1,46 +1,46 @@
|
||||
dist_x temp Na_mmol K_mmol Cl_mmol error_Cl error_Na
|
||||
0 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
1.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
2.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
3.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
4.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
5.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
6.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
7.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
8.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
9.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
10.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
11.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
12.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
13.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
14.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
15.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
16.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
17.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000010e+01 0.000000000000e+00
|
||||
0.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
1.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
2.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
3.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
4.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
5.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
6.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
7.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
8.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
9.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
10.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
11.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
12.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
13.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
14.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
15.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
16.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
17.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
18.5 0.000000000000e+00 0.000000000000e+00 2.400000000012e+01 0.000000000000e+00
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01 -2.400000337355e-11 -2.400000684299e-11
|
||||
0.5 1.686181418171e+01 1.686133609177e+01 7.138663899854e+00 2.011377529319e+01 4.381717856952e-06 5.068336357464e-04
|
||||
1.5 6.421492325340e+00 6.419558988189e+00 1.758044099840e+01 1.294968671940e+01 1.730376476416e-05 5.127073405313e-04
|
||||
2.5 1.759908542190e+00 1.758534659759e+00 2.224146533044e+01 7.342808261286e+00 3.561257293540e-05 9.186006161036e-05
|
||||
3.5 3.571924633149e-01 3.567054178264e-01 2.364329457693e+01 3.623408283676e+00 4.959925524514e-05 -3.682506955347e-05
|
||||
4.5 5.490209784602e-02 5.479279662416e-02 2.394520720113e+01 1.538555967128e+00 5.006313596864e-05 -1.968447681416e-05
|
||||
5.5 6.484238384543e-03 6.467124486998e-03 2.399353287476e+01 5.556625533105e-01 3.820767165789e-05 -4.051252484614e-06
|
||||
6.5 5.926340099388e-04 5.906785140030e-04 2.399940932133e+01 1.684990632467e-01 2.262672987221e-05 -4.873052767777e-07
|
||||
7.5 4.190926759329e-05 4.174299654826e-05 2.399995825704e+01 4.224784404200e-02 1.054699173428e-05 -3.900783491551e-08
|
||||
8.5 2.276345752225e-06 2.265781717011e-06 2.399999773430e+01 8.664946370886e-03 3.823149392516e-06 -2.221207693063e-09
|
||||
9.5 1.396593678491e-07 1.389123928275e-07 2.399999986118e+01 2.055609847092e-03
|
||||
10.5 1.138869022165e-06 1.133447609651e-06 2.399999886664e+01 4.374443607422e-03
|
||||
11.5 2.090811414807e-05 2.082226931298e-05 2.399997917780e+01 2.044715368546e-02
|
||||
12.5 2.951795283095e-04 2.941575642002e-04 2.399970584241e+01 7.995922685932e-02
|
||||
13.5 3.221164571556e-03 3.212049565193e-03 2.399678795014e+01 2.567109777338e-01
|
||||
14.5 2.715473190776e-02 2.709461903675e-02 2.397290538002e+01 6.850286499837e-01
|
||||
15.5 1.753541124074e-01 1.750694114109e-01 2.382493058642e+01 1.533872870595e+00
|
||||
16.5 8.525032219987e-01 8.515834471049e-01 2.314841654903e+01 2.902126148036e+00
|
||||
17.5 3.032149930886e+00 3.030261194920e+00 2.096973880000e+01 4.663139220088e+00
|
||||
18.5 7.550952819370e+00 7.548456392624e+00 1.645154360352e+01 6.385483516912e+00
|
||||
19.5 1.235834674267e+01 1.235529368931e+01 1.164470631041e+01 7.468268986451e+00
|
||||
0.5 1.686181418171e+01 1.686133609177e+01 7.138663899857e+00 2.011377529319e+01 4.381717856911e-06 5.068336357465e-04
|
||||
1.5 6.421492325340e+00 6.419558988190e+00 1.758044099841e+01 1.294968671940e+01 1.730376476405e-05 5.127073405303e-04
|
||||
2.5 1.759908542190e+00 1.758534659760e+00 2.224146533045e+01 7.342808261286e+00 3.561257293522e-05 9.186006160950e-05
|
||||
3.5 3.571924633149e-01 3.567054178272e-01 2.364329457695e+01 3.623408283676e+00 4.959925524492e-05 -3.682506955420e-05
|
||||
4.5 5.490209784602e-02 5.479279662349e-02 2.394520720116e+01 1.538555967128e+00 5.006313596843e-05 -1.968447681349e-05
|
||||
5.5 6.484238384543e-03 6.467124486913e-03 2.399353287478e+01 5.556625533107e-01 3.820767165772e-05 -4.051252484529e-06
|
||||
6.5 5.926340099388e-04 5.906785139699e-04 2.399940932136e+01 1.684990632468e-01 2.262672987207e-05 -4.873052767447e-07
|
||||
7.5 4.190926759329e-05 4.174299653563e-05 2.399995825706e+01 4.224784404205e-02 1.054699173424e-05 -3.900783490287e-08
|
||||
8.5 2.276345752225e-06 2.265781715229e-06 2.399999773432e+01 8.664946370898e-03 3.823149392504e-06 -2.221207691281e-09
|
||||
9.5 1.396593678491e-07 1.389123927339e-07 2.399999986120e+01 2.055609847093e-03
|
||||
10.5 1.138869022165e-06 1.133447608928e-06 2.399999886666e+01 4.374443607424e-03
|
||||
11.5 2.090811414807e-05 2.082226930681e-05 2.399997917782e+01 2.044715368547e-02
|
||||
12.5 2.951795283095e-04 2.941575641842e-04 2.399970584244e+01 7.995922685934e-02
|
||||
13.5 3.221164571556e-03 3.212049565156e-03 2.399678795017e+01 2.567109777338e-01
|
||||
14.5 2.715473190776e-02 2.709461903648e-02 2.397290538005e+01 6.850286499837e-01
|
||||
15.5 1.753541124074e-01 1.750694114115e-01 2.382493058644e+01 1.533872870595e+00
|
||||
16.5 8.525032219987e-01 8.515834471066e-01 2.314841654904e+01 2.902126148036e+00
|
||||
17.5 3.032149930886e+00 3.030261194922e+00 2.096973880002e+01 4.663139220088e+00
|
||||
18.5 7.550952819370e+00 7.548456392627e+00 1.645154360353e+01 6.385483516912e+00
|
||||
19.5 1.235834674267e+01 1.235529368932e+01 1.164470631042e+01 7.468268986451e+00
|
||||
0.166667 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
0.5 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
0.833333 0.000000000000e+00 0.000000000000e+00 2.400000000000e+01 0.000000000000e+00
|
||||
@ -101,64 +101,64 @@
|
||||
19.1667 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.5 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
19.8333 2.400000000000e+01 2.400000000000e+01 0.000000000000e+00 2.400000000000e+01
|
||||
0.166667 2.173421305774e+01 2.173403386063e+01 2.265966136452e+00 2.269804666231e+01
|
||||
0.5 1.732877229921e+01 1.732818349806e+01 6.671816494265e+00 2.011806700218e+01 9.000885942481e-08 3.998622946025e-05
|
||||
0.833333 1.328083118520e+01 1.327977600374e+01 1.072022398538e+01 1.760855984595e+01
|
||||
1.16667 9.764783867926e+00 9.763295612551e+00 1.423670437487e+01 1.521226338238e+01
|
||||
1.5 6.876979953496e+00 6.875203671273e+00 1.712479631572e+01 1.296594983169e+01 1.040652470932e-06 5.706265744738e-05
|
||||
1.83333 4.633445178267e+00 4.631592230628e+00 1.936840775690e+01 1.089878644681e+01
|
||||
2.16667 2.983957613890e+00 2.982233846716e+00 2.101776614196e+01 9.031332911150e+00
|
||||
2.5 1.835670035543e+00 1.834219344984e+00 2.216578064517e+01 7.375218041922e+00 3.202792299458e-06 1.617537638523e-05
|
||||
2.83333 1.078309641974e+00 1.077193213980e+00 2.292280677773e+01 5.933464823767e+00
|
||||
3.16667 6.047271174932e-01 6.039348411906e-01 2.339606515204e+01 4.701369003156e+00
|
||||
3.5 3.237687664602e-01 3.232468743679e-01 2.367675312023e+01 3.667790507028e+00 5.217031892212e-06 -3.366526094922e-06
|
||||
3.83333 1.655091654568e-01 1.651883636811e-01 2.383481163211e+01 2.816693051604e+00
|
||||
4.16667 8.080184013938e-02 8.061704168687e-02 2.391938295510e+01 2.128765894911e+00
|
||||
4.5 3.768529740313e-02 3.758518697825e-02 2.396241481061e+01 1.582979760724e+00 5.639342372492e-06 -2.476867168244e-06
|
||||
4.83333 1.679748180460e-02 1.674633341902e-02 2.398325366481e+01 1.157961083143e+00
|
||||
5.16667 7.158658677381e-03 7.133952391644e-03 2.399286604633e+01 8.331082803354e-01
|
||||
5.5 2.918406918575e-03 2.907101078212e-03 2.399709289802e+01 5.894142528789e-01 4.455972089512e-06 -4.912290758281e-07
|
||||
5.83333 1.138704484326e-03 1.133794318823e-03 2.399886620505e+01 4.099953343114e-01
|
||||
6.16667 4.254614095066e-04 4.234343206137e-04 2.399957656525e+01 2.803548753976e-01
|
||||
6.5 1.523110829998e-04 1.515144739607e-04 2.399984848524e+01 1.884278508358e-01 2.697942283073e-06 -4.814123673548e-08
|
||||
6.83333 5.227158937090e-05 5.197321123247e-05 2.399994802660e+01 1.244614394110e-01
|
||||
7.16667 1.720693832796e-05 1.710029263504e-05 2.399998289958e+01 8.078687428981e-02
|
||||
7.5 5.436060938942e-06 5.399649415898e-06 2.399999460027e+01 5.153218579103e-02 1.262649985252e-06 -2.664487783141e-09
|
||||
7.83333 1.649088196500e-06 1.637200882995e-06 2.399999836275e+01 3.231618817631e-02
|
||||
8.16667 4.806358161413e-07 4.769214798035e-07 2.399999952305e+01 1.995341519604e-02
|
||||
8.5 1.346685591699e-07 1.335566766312e-07 2.399999986642e+01 1.218943044882e-02 2.986653145795e-07 -8.898265268248e-11
|
||||
8.83333 3.634651795932e-08 3.602679113545e-08 2.399999996396e+01 7.477181955864e-03
|
||||
9.16667 9.688299811041e-09 9.597461159246e-09 2.399999999039e+01 4.798414843917e-03
|
||||
9.5 3.521245211305e-09 3.486098607351e-09 2.399999999651e+01 3.529705336616e-03
|
||||
9.83333 5.266729327194e-09 5.215572366278e-09 2.399999999478e+01 3.350197792357e-03
|
||||
10.1667 1.826814043527e-08 1.810189577526e-08 2.399999998189e+01 4.187174719459e-03
|
||||
10.5 6.734157443551e-08 6.676539459886e-08 2.399999993322e+01 6.195634766519e-03
|
||||
10.8333 2.402572726978e-07 2.383277400061e-07 2.399999976166e+01 9.768547401637e-03
|
||||
11.1667 8.242629303642e-07 8.180679126566e-07 2.399999918191e+01 1.557488011882e-02
|
||||
11.5 2.716856872536e-06 2.697812059732e-06 2.399999730215e+01 2.462240289906e-02
|
||||
11.8333 8.598766108992e-06 8.542755015543e-06 2.399999145719e+01 3.834130428025e-02
|
||||
12.1667 2.611765409409e-05 2.596020332213e-05 2.399997403971e+01 5.868256892109e-02
|
||||
12.5 7.608821448518e-05 7.566556929143e-05 2.399992433429e+01 8.822180939210e-02
|
||||
12.8333 2.124903883306e-04 2.114081368791e-04 2.399978859166e+01 1.302549940497e-01
|
||||
13.1667 5.685276981636e-04 5.658869124423e-04 2.399943411280e+01 1.888677435760e-01
|
||||
13.5 1.456485428304e-03 1.450352184743e-03 2.399854964740e+01 2.689553860821e-01
|
||||
13.8333 3.570725868134e-03 3.557184501357e-03 2.399644281492e+01 3.761678784769e-01
|
||||
14.1667 8.372605104386e-03 8.344221152564e-03 2.399165577806e+01 5.167533414733e-01
|
||||
14.5 1.876649315304e-02 1.871009047208e-02 2.398128990847e+01 6.972776485204e-01
|
||||
14.8333 4.018818935056e-02 4.008209924661e-02 2.395991789935e+01 9.242063091066e-01
|
||||
15.1667 8.218523045868e-02 8.199665482934e-02 2.391800334337e+01 1.203349228728e+00
|
||||
15.5 1.604251797218e-01 1.601089608909e-01 2.383989103683e+01 1.539188295218e+00
|
||||
15.8333 2.987842293275e-01 2.982848391787e-01 2.370171515802e+01 1.934130436525e+00
|
||||
16.1667 5.307560799654e-01 5.300144684670e-01 2.346998552817e+01 2.387751903539e+00
|
||||
16.5 8.989923689127e-01 8.979578317801e-01 2.310204216431e+01 2.896119155486e+00
|
||||
16.8333 1.451577886699e+00 1.450222207355e+00 2.254977778824e+01 3.451283515303e+00
|
||||
17.1667 2.233968006248e+00 2.232295880177e+00 2.176770411504e+01 4.041046701772e+00
|
||||
17.5 3.276605593426e+00 3.274654206826e+00 2.072534578822e+01 4.649079665430e+00
|
||||
17.8333 4.580028375190e+00 4.577852592597e+00 1.942214740254e+01 5.255447192243e+00
|
||||
18.1667 6.101260771518e+00 6.098908811274e+00 1.790109118428e+01 5.837547513122e+00
|
||||
18.5 7.746551131291e+00 7.744044346459e+00 1.625595564982e+01 6.371424480909e+00
|
||||
18.8333 9.375127720227e+00 9.372459479193e+00 1.462754051805e+01 6.833356874077e+00
|
||||
19.1667 1.081617087842e+01 1.081332896013e+01 1.318667103814e+01 7.201583440738e+00
|
||||
19.5 1.189712386893e+01 1.189412326748e+01 1.210587673167e+01 7.457991576092e+00
|
||||
19.8333 1.247719246828e+01 1.247409469920e+01 1.152590530045e+01 7.589588377780e+00
|
||||
0.166667 2.173421305774e+01 2.173403386062e+01 2.265966136452e+00 2.269804666230e+01
|
||||
0.5 1.732877229921e+01 1.732818349805e+01 6.671816494264e+00 2.011806700216e+01 9.000888655936e-08 3.998622946965e-05
|
||||
0.833333 1.328083118520e+01 1.327977600372e+01 1.072022398538e+01 1.760855984591e+01
|
||||
1.16667 9.764783867926e+00 9.763295612541e+00 1.423670437486e+01 1.521226338233e+01
|
||||
1.5 6.876979953496e+00 6.875203671269e+00 1.712479631571e+01 1.296594983166e+01 1.040652508347e-06 5.706265745151e-05
|
||||
1.83333 4.633445178267e+00 4.631592230628e+00 1.936840775689e+01 1.089878644678e+01
|
||||
2.16667 2.983957613890e+00 2.982233846720e+00 2.101776614195e+01 9.031332911126e+00
|
||||
2.5 1.835670035543e+00 1.834219344991e+00 2.216578064515e+01 7.375218041904e+00 3.202792317384e-06 1.617537637820e-05
|
||||
2.83333 1.078309641974e+00 1.077193213990e+00 2.292280677772e+01 5.933464823754e+00
|
||||
3.16667 6.047271174932e-01 6.039348412011e-01 2.339606515202e+01 4.701369003147e+00
|
||||
3.5 3.237687664602e-01 3.232468743784e-01 2.367675312021e+01 3.667790507022e+00 5.217031898322e-06 -3.366526105468e-06
|
||||
3.83333 1.655091654568e-01 1.651883636903e-01 2.383481163209e+01 2.816693051599e+00
|
||||
4.16667 8.080184013938e-02 8.061704169374e-02 2.391938295507e+01 2.128765894909e+00
|
||||
4.5 3.768529740313e-02 3.758518698196e-02 2.396241481059e+01 1.582979760722e+00 5.639342374260e-06 -2.476867171957e-06
|
||||
4.83333 1.679748180460e-02 1.674633341958e-02 2.398325366478e+01 1.157961083142e+00
|
||||
5.16667 7.158658677381e-03 7.133952389501e-03 2.399286604629e+01 8.331082803344e-01
|
||||
5.5 2.918406918575e-03 2.907101076281e-03 2.399709289797e+01 5.894142528778e-01 4.455972090574e-06 -4.912290738971e-07
|
||||
5.83333 1.138704484326e-03 1.133794317495e-03 2.399886620500e+01 4.099953343102e-01
|
||||
6.16667 4.254614095066e-04 4.234343197745e-04 2.399957656520e+01 2.803548753963e-01
|
||||
6.5 1.523110829998e-04 1.515144734559e-04 2.399984848518e+01 1.884278508342e-01 2.697942284667e-06 -4.814123623066e-08
|
||||
6.83333 5.227158937090e-05 5.197321094117e-05 2.399994802654e+01 1.244614394092e-01
|
||||
7.16667 1.720693832796e-05 1.710029247352e-05 2.399998289953e+01 8.078687428780e-02
|
||||
7.5 5.436060938942e-06 5.399649329853e-06 2.399999460021e+01 5.153218578890e-02 1.262649987381e-06 -2.664487697096e-09
|
||||
7.83333 1.649088196500e-06 1.637200839026e-06 2.399999836269e+01 3.231618817415e-02
|
||||
8.16667 4.806358161413e-07 4.769214583283e-07 2.399999952299e+01 1.995341519396e-02
|
||||
8.5 1.346685591699e-07 1.335566667217e-07 2.399999986637e+01 1.218943044689e-02 2.986653165113e-07 -8.898264277299e-11
|
||||
8.83333 3.634651795932e-08 3.602678702572e-08 2.399999996391e+01 7.477181954098e-03
|
||||
9.16667 9.688299811041e-09 9.597459993551e-09 2.399999999035e+01 4.798414842273e-03
|
||||
9.5 3.521245211305e-09 3.486099726033e-09 2.399999999646e+01 3.529705335038e-03
|
||||
9.83333 5.266729327194e-09 5.215573622272e-09 2.399999999473e+01 3.350197790833e-03
|
||||
10.1667 1.826814043527e-08 1.810189407769e-08 2.399999998184e+01 4.187174718005e-03
|
||||
10.5 6.734157443551e-08 6.676538891465e-08 2.399999993318e+01 6.195634765137e-03
|
||||
10.8333 2.402572726978e-07 2.383277269947e-07 2.399999976161e+01 9.768547400295e-03
|
||||
11.1667 8.242629303642e-07 8.180678855293e-07 2.399999918186e+01 1.557488011750e-02
|
||||
11.5 2.716856872536e-06 2.697812006066e-06 2.399999730210e+01 2.462240289775e-02
|
||||
11.8333 8.598766108992e-06 8.542754913983e-06 2.399999145713e+01 3.834130427899e-02
|
||||
12.1667 2.611765409409e-05 2.596020313789e-05 2.399997403965e+01 5.868256891991e-02
|
||||
12.5 7.608821448518e-05 7.566556897109e-05 2.399992433424e+01 8.822180939102e-02
|
||||
12.8333 2.124903883306e-04 2.114081363477e-04 2.399978859161e+01 1.302549940488e-01
|
||||
13.1667 5.685276981636e-04 5.658869116205e-04 2.399943411275e+01 1.888677435751e-01
|
||||
13.5 1.456485428304e-03 1.450352183710e-03 2.399854964736e+01 2.689553860813e-01
|
||||
13.8333 3.570725868134e-03 3.557184501303e-03 2.399644281489e+01 3.761678784761e-01
|
||||
14.1667 8.372605104386e-03 8.344221154090e-03 2.399165577803e+01 5.167533414725e-01
|
||||
14.5 1.876649315304e-02 1.871009047534e-02 2.398128990844e+01 6.972776485195e-01
|
||||
14.8333 4.018818935056e-02 4.008209925142e-02 2.395991789933e+01 9.242063091055e-01
|
||||
15.1667 8.218523045868e-02 8.199665483520e-02 2.391800334335e+01 1.203349228726e+00
|
||||
15.5 1.604251797218e-01 1.601089608972e-01 2.383989103682e+01 1.539188295216e+00
|
||||
15.8333 2.987842293275e-01 2.982848391849e-01 2.370171515801e+01 1.934130436523e+00
|
||||
16.1667 5.307560799654e-01 5.300144684729e-01 2.346998552817e+01 2.387751903536e+00
|
||||
16.5 8.989923689127e-01 8.979578317854e-01 2.310204216430e+01 2.896119155483e+00
|
||||
16.8333 1.451577886699e+00 1.450222207360e+00 2.254977778823e+01 3.451283515299e+00
|
||||
17.1667 2.233968006248e+00 2.232295880183e+00 2.176770411504e+01 4.041046701768e+00
|
||||
17.5 3.276605593426e+00 3.274654206834e+00 2.072534578821e+01 4.649079665426e+00
|
||||
17.8333 4.580028375190e+00 4.577852592607e+00 1.942214740254e+01 5.255447192237e+00
|
||||
18.1667 6.101260771518e+00 6.098908811286e+00 1.790109118428e+01 5.837547513116e+00
|
||||
18.5 7.746551131291e+00 7.744044346473e+00 1.625595564982e+01 6.371424480902e+00
|
||||
18.8333 9.375127720227e+00 9.372459479205e+00 1.462754051805e+01 6.833356874070e+00
|
||||
19.1667 1.081617087842e+01 1.081332896014e+01 1.318667103814e+01 7.201583440730e+00
|
||||
19.5 1.189712386893e+01 1.189412326749e+01 1.210587673166e+01 7.457991576084e+00
|
||||
19.8333 1.247719246828e+01 1.247409469920e+01 1.152590530045e+01 7.589588377772e+00
|
||||
-99 2.500000000000e+01 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00
|
||||
|
||||
36
ex13a.out
36
ex13a.out
@ -55,7 +55,7 @@ Initial solution 0.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
pe = 13.618 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
@ -83,7 +83,7 @@ Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 18.08
|
||||
HCl 3.294e-11 3.299e-11 -10.482 -10.482 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50
|
||||
Na 1.000e-03
|
||||
@ -95,7 +95,7 @@ O(0) 5.110e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -7.61 -6.04 1.57 NaCl
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -141,7 +141,7 @@ Initial solution 1.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
pe = 13.618 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 141
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -166,7 +166,7 @@ Initial solution 1.
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
|
||||
N(5) 1.000e-03
|
||||
@ -178,7 +178,7 @@ O(0) 5.111e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
|
||||
@ -215,7 +215,7 @@ X 1.000e-03 mol
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
KX 1.000e-03 1.000e-03 1.000e+00 -0.016
|
||||
NH4X 5.034e-63 5.034e-63 5.034e-60 -0.016
|
||||
NH4X 5.455e-63 5.455e-63 5.455e-60 -0.016
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -227,7 +227,7 @@ X 1.000e-03 mol
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
pe = 13.618 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 141
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -252,16 +252,16 @@ X 1.000e-03 mol
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.89
|
||||
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.42
|
||||
N(0) 1.351e-19
|
||||
N2 6.757e-20 6.759e-20 -19.170 -19.170 0.000 29.29
|
||||
N(3) 2.120e-16
|
||||
NO2- 2.120e-16 2.045e-16 -15.674 -15.689 -0.016 24.97
|
||||
NH4+ 0.000e+00 0.000e+00 -62.863 -62.879 -0.016 17.89
|
||||
NH3 0.000e+00 0.000e+00 -65.123 -65.123 0.000 24.42
|
||||
N(0) 1.494e-19
|
||||
N2 7.471e-20 7.473e-20 -19.127 -19.127 0.000 29.29
|
||||
N(3) 2.163e-16
|
||||
NO2- 2.163e-16 2.086e-16 -15.665 -15.681 -0.016 24.97
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.49
|
||||
O(0) 5.111e-04
|
||||
@ -271,10 +271,10 @@ O(0) 5.111e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -15.99 -19.17 -3.18 N2
|
||||
NH3(g) -66.95 -65.16 1.80 NH3
|
||||
N2(g) -15.95 -19.13 -3.18 N2
|
||||
NH3(g) -66.92 -65.12 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
|
||||
36
ex13ac.out
36
ex13ac.out
@ -55,7 +55,7 @@ Initial solution 0.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
pe = 13.618 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
@ -83,7 +83,7 @@ Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 18.08
|
||||
HCl 3.294e-11 3.299e-11 -10.482 -10.482 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50
|
||||
Na 1.000e-03
|
||||
@ -95,7 +95,7 @@ O(0) 5.110e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -7.61 -6.04 1.57 NaCl
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -141,7 +141,7 @@ Initial solution 1.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
pe = 13.618 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 141
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -166,7 +166,7 @@ Initial solution 1.
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
|
||||
N(5) 1.000e-03
|
||||
@ -178,7 +178,7 @@ O(0) 5.111e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
|
||||
@ -215,7 +215,7 @@ X 1.000e-03 mol
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
KX 1.000e-03 1.000e-03 1.000e+00 -0.016
|
||||
NH4X 5.034e-63 5.034e-63 5.034e-60 -0.016
|
||||
NH4X 5.455e-63 5.455e-63 5.455e-60 -0.016
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -227,7 +227,7 @@ X 1.000e-03 mol
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
pe = 13.618 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 141
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -252,16 +252,16 @@ X 1.000e-03 mol
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.89
|
||||
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.42
|
||||
N(0) 1.351e-19
|
||||
N2 6.757e-20 6.759e-20 -19.170 -19.170 0.000 29.29
|
||||
N(3) 2.120e-16
|
||||
NO2- 2.120e-16 2.045e-16 -15.674 -15.689 -0.016 24.97
|
||||
NH4+ 0.000e+00 0.000e+00 -62.863 -62.879 -0.016 17.89
|
||||
NH3 0.000e+00 0.000e+00 -65.123 -65.123 0.000 24.42
|
||||
N(0) 1.494e-19
|
||||
N2 7.471e-20 7.473e-20 -19.127 -19.127 0.000 29.29
|
||||
N(3) 2.163e-16
|
||||
NO2- 2.163e-16 2.086e-16 -15.665 -15.681 -0.016 24.97
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.49
|
||||
O(0) 5.111e-04
|
||||
@ -271,10 +271,10 @@ O(0) 5.111e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -15.99 -19.17 -3.18 N2
|
||||
NH3(g) -66.95 -65.16 1.80 NH3
|
||||
N2(g) -15.95 -19.13 -3.18 N2
|
||||
NH3(g) -66.92 -65.12 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
|
||||
36
ex13b.out
36
ex13b.out
@ -55,7 +55,7 @@ Initial solution 0.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
pe = 13.618 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
@ -83,7 +83,7 @@ Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 18.08
|
||||
HCl 3.294e-11 3.299e-11 -10.482 -10.482 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50
|
||||
Na 1.000e-03
|
||||
@ -95,7 +95,7 @@ O(0) 5.110e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -7.61 -6.04 1.57 NaCl
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -141,7 +141,7 @@ Initial solution 1.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
pe = 13.618 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 141
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -166,7 +166,7 @@ Initial solution 1.
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
|
||||
N(5) 1.000e-03
|
||||
@ -178,7 +178,7 @@ O(0) 5.111e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
|
||||
@ -215,7 +215,7 @@ X 1.000e-03 mol
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
KX 1.000e-03 1.000e-03 1.000e+00 -0.016
|
||||
NH4X 5.034e-63 5.034e-63 5.034e-60 -0.016
|
||||
NH4X 5.455e-63 5.455e-63 5.455e-60 -0.016
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -227,7 +227,7 @@ X 1.000e-03 mol
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
pe = 13.618 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 141
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -252,16 +252,16 @@ X 1.000e-03 mol
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.89
|
||||
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.42
|
||||
N(0) 1.351e-19
|
||||
N2 6.757e-20 6.759e-20 -19.170 -19.170 0.000 29.29
|
||||
N(3) 2.120e-16
|
||||
NO2- 2.120e-16 2.045e-16 -15.674 -15.689 -0.016 24.97
|
||||
NH4+ 0.000e+00 0.000e+00 -62.863 -62.879 -0.016 17.89
|
||||
NH3 0.000e+00 0.000e+00 -65.123 -65.123 0.000 24.42
|
||||
N(0) 1.494e-19
|
||||
N2 7.471e-20 7.473e-20 -19.127 -19.127 0.000 29.29
|
||||
N(3) 2.163e-16
|
||||
NO2- 2.163e-16 2.086e-16 -15.665 -15.681 -0.016 24.97
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.49
|
||||
O(0) 5.111e-04
|
||||
@ -271,10 +271,10 @@ O(0) 5.111e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -15.99 -19.17 -3.18 N2
|
||||
NH3(g) -66.95 -65.16 1.80 NH3
|
||||
N2(g) -15.95 -19.13 -3.18 N2
|
||||
NH3(g) -66.92 -65.12 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
|
||||
36
ex13c.out
36
ex13c.out
@ -55,7 +55,7 @@ Initial solution 0.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
pe = 13.618 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 191
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00302
|
||||
@ -83,7 +83,7 @@ Cl 1.000e-03
|
||||
Cl- 1.000e-03 9.576e-04 -3.000 -3.019 -0.019 18.08
|
||||
HCl 3.294e-11 3.299e-11 -10.482 -10.482 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.572e-04 -3.000 -3.019 -0.019 29.50
|
||||
Na 1.000e-03
|
||||
@ -95,7 +95,7 @@ O(0) 5.110e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -7.61 -6.04 1.57 NaCl
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -141,7 +141,7 @@ Initial solution 1.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.622 Equilibrium with O2(g)
|
||||
pe = 13.618 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 141
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -166,7 +166,7 @@ Initial solution 1.
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
|
||||
N(5) 1.000e-03
|
||||
@ -178,7 +178,7 @@ O(0) 5.111e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
|
||||
@ -215,7 +215,7 @@ X 1.000e-03 mol
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
KX 1.000e-03 1.000e-03 1.000e+00 -0.016
|
||||
NH4X 5.034e-63 5.034e-63 5.034e-60 -0.016
|
||||
NH4X 5.455e-63 5.455e-63 5.455e-60 -0.016
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -227,7 +227,7 @@ X 1.000e-03 mol
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000 Charge balance
|
||||
pe = 13.622 Adjusted to redox equilibrium
|
||||
pe = 13.618 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 141
|
||||
Density (g/cm³) = 0.99711
|
||||
Volume (L) = 1.00301
|
||||
@ -252,16 +252,16 @@ X 1.000e-03 mol
|
||||
H+ 1.035e-07 1.000e-07 -6.985 -7.000 -0.015 0.00
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
K 1.000e-03
|
||||
K+ 1.000e-03 9.649e-04 -3.000 -3.016 -0.016 9.01
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -62.898 -62.914 -0.016 17.89
|
||||
NH3 0.000e+00 0.000e+00 -65.158 -65.158 0.000 24.42
|
||||
N(0) 1.351e-19
|
||||
N2 6.757e-20 6.759e-20 -19.170 -19.170 0.000 29.29
|
||||
N(3) 2.120e-16
|
||||
NO2- 2.120e-16 2.045e-16 -15.674 -15.689 -0.016 24.97
|
||||
NH4+ 0.000e+00 0.000e+00 -62.863 -62.879 -0.016 17.89
|
||||
NH3 0.000e+00 0.000e+00 -65.123 -65.123 0.000 24.42
|
||||
N(0) 1.494e-19
|
||||
N2 7.471e-20 7.473e-20 -19.127 -19.127 0.000 29.29
|
||||
N(3) 2.163e-16
|
||||
NO2- 2.163e-16 2.086e-16 -15.665 -15.681 -0.016 24.97
|
||||
N(5) 1.000e-03
|
||||
NO3- 1.000e-03 9.647e-04 -3.000 -3.016 -0.016 29.49
|
||||
O(0) 5.111e-04
|
||||
@ -271,10 +271,10 @@ O(0) 5.111e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -15.99 -19.17 -3.18 N2
|
||||
NH3(g) -66.95 -65.16 1.80 NH3
|
||||
N2(g) -15.95 -19.13 -3.18 N2
|
||||
NH3(g) -66.92 -65.12 1.80 NH3
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
|
||||
688
ex14.out
688
ex14.out
@ -88,20 +88,20 @@ Initial solution 1. Brine
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.713
|
||||
pe = 14.962 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 243037
|
||||
Density (g/cm³) = 1.21639
|
||||
Volume (L) = 1.13690
|
||||
Viscosity (mPa s) = 1.95446
|
||||
pe = 14.957 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 243334
|
||||
Density (g/cm³) = 1.21644
|
||||
Volume (L) = 1.13686
|
||||
Viscosity (mPa s) = 1.95122
|
||||
Activity of water = 0.785
|
||||
Ionic strength (mol/kgw) = 7.270e+00
|
||||
Ionic strength (mol/kgw) = 7.267e+00
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.608e-03
|
||||
Total alkalinity (eq/kg) = 3.607e-03
|
||||
Total CO2 (mol/kg) = 3.960e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = -3.249e-13
|
||||
Electrical balance (eq) = -1.687e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 14
|
||||
Iterations = 11
|
||||
Total H = 1.110160e+02
|
||||
Total O = 5.553674e+01
|
||||
|
||||
@ -111,86 +111,88 @@ Initial solution 1. Brine
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 2.756e-06 1.936e-06 -5.560 -5.713 -0.153 0.00
|
||||
OH- 8.878e-09 4.101e-09 -8.052 -8.387 -0.335 6.33
|
||||
OH- 8.877e-09 4.101e-09 -8.052 -8.387 -0.335 6.33
|
||||
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
|
||||
As 2.500e-08
|
||||
H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0)
|
||||
H3AsO4 8.669e-12 4.623e-11 -11.062 -10.335 0.727 (0)
|
||||
HAsO4-2 8.507e-12 7.779e-09 -11.070 -8.109 2.961 (0)
|
||||
AsO4-3 2.763e-21 1.270e-14 -20.559 -13.896 6.663 (0)
|
||||
H2AsO4- 2.498e-08 1.373e-07 -7.602 -6.862 0.740 (0)
|
||||
H3AsO4 8.666e-12 4.619e-11 -11.062 -10.335 0.727 (0)
|
||||
HAsO4-2 8.529e-12 7.772e-09 -11.069 -8.109 2.960 (0)
|
||||
AsO4-3 2.782e-21 1.269e-14 -20.556 -13.896 6.659 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -144.496 -143.769 0.727 35.46
|
||||
CH4 0.000e+00 0.000e+00 -144.460 -143.734 0.727 35.46
|
||||
C(4) 3.960e-03
|
||||
MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01
|
||||
CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 10.08
|
||||
CO2 3.518e-04 1.062e-03 -3.454 -2.974 0.480 34.43
|
||||
HCO3- 3.309e-04 1.914e-04 -3.480 -3.718 -0.238 37.32
|
||||
NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73
|
||||
CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60
|
||||
MgCO3 4.324e-07 2.306e-06 -6.364 -5.637 0.727 -17.09
|
||||
CO3-2 4.143e-08 4.635e-09 -7.383 -8.334 -0.951 10.19
|
||||
(CO2)2 3.882e-09 2.070e-08 -8.411 -7.684 0.727 68.87
|
||||
MgHCO3+ 2.344e-03 1.168e-03 -2.630 -2.933 -0.303 6.01
|
||||
CaHCO3+ 8.668e-04 5.250e-04 -3.062 -3.280 -0.218 10.08
|
||||
CO2 3.528e-04 1.064e-03 -3.453 -2.973 0.480 34.43
|
||||
HCO3- 3.317e-04 1.918e-04 -3.479 -3.717 -0.238 37.31
|
||||
NaHCO3 6.306e-05 1.791e-03 -4.200 -2.747 1.453 31.73
|
||||
CaCO3 1.039e-06 5.537e-06 -5.983 -5.257 0.727 -14.60
|
||||
MgCO3 4.327e-07 2.306e-06 -6.364 -5.637 0.727 -17.09
|
||||
CO3-2 4.152e-08 4.646e-09 -7.382 -8.333 -0.951 10.19
|
||||
(CO2)2 3.902e-09 2.080e-08 -8.409 -7.682 0.727 68.87
|
||||
Ca 4.655e-01
|
||||
Ca+2 4.643e-01 7.129e-01 -0.333 -0.147 0.186 -13.79
|
||||
CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 10.08
|
||||
CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50
|
||||
CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60
|
||||
CaOH+ 8.717e-09 4.794e-08 -8.060 -7.319 0.740 (0)
|
||||
CaHSO4+ 3.984e-09 2.191e-08 -8.400 -7.659 0.740 (0)
|
||||
Ca+2 4.625e-01 7.095e-01 -0.335 -0.149 0.186 -13.79
|
||||
CaSO4 2.094e-03 4.409e-03 -2.679 -2.356 0.323 7.22
|
||||
CaHCO3+ 8.668e-04 5.250e-04 -3.062 -3.280 -0.218 10.08
|
||||
CaCO3 1.039e-06 5.537e-06 -5.983 -5.257 0.727 -14.60
|
||||
CaHSO4+ 1.302e-08 7.155e-08 -7.885 -7.145 0.740 (0)
|
||||
CaOH+ 8.684e-09 4.771e-08 -8.061 -7.321 0.740 (0)
|
||||
Cl 6.642e+00
|
||||
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
|
||||
HCl 2.238e-09 2.778e-06 -8.650 -5.556 3.094 (0)
|
||||
HCl 2.243e-09 2.778e-06 -8.649 -5.556 3.093 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
|
||||
H2 0.000e+00 0.000e+00 -45.217 -44.490 0.727 28.61
|
||||
Mg 1.609e-01
|
||||
Mg+2 1.585e-01 5.213e-01 -0.800 -0.283 0.517 -17.22
|
||||
MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01
|
||||
MgSO4 6.515e-05 1.853e-03 -4.186 -2.732 1.454 -7.92
|
||||
MgOH+ 1.225e-06 7.669e-07 -5.912 -6.115 -0.204 (0)
|
||||
MgCO3 4.324e-07 2.306e-06 -6.364 -5.637 0.727 -17.09
|
||||
Mg(SO4)2-2 2.191e-07 8.286e-08 -6.659 -7.082 -0.422 54.97
|
||||
Mg+2 1.583e-01 5.202e-01 -0.800 -0.284 0.517 -17.22
|
||||
MgHCO3+ 2.344e-03 1.168e-03 -2.630 -2.933 -0.303 6.01
|
||||
MgSO4 2.136e-04 6.068e-03 -3.670 -2.217 1.453 -0.40
|
||||
Mg(SO4)2-2 2.355e-06 8.904e-07 -5.628 -6.050 -0.422 56.94
|
||||
MgOH+ 1.223e-06 7.653e-07 -5.913 -6.116 -0.204 (0)
|
||||
MgCO3 4.327e-07 2.306e-06 -6.364 -5.637 0.727 -17.09
|
||||
Na 5.402e+00
|
||||
Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73
|
||||
O(0) 9.585e-05
|
||||
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
Na+ 5.400e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 1.511e-03 4.196e-03 -2.821 -2.377 0.444 35.63
|
||||
NaHCO3 6.306e-05 1.791e-03 -4.200 -2.747 1.453 31.73
|
||||
Na2SO4 4.989e-06 2.194e-05 -5.302 -4.659 0.643 47.96
|
||||
O(0) 9.591e-05
|
||||
O2 4.796e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -141.404 -140.677 0.727 36.27
|
||||
HS- 0.000e+00 0.000e+00 -141.570 -141.905 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -283.359 -282.632 0.727 30.09
|
||||
H2S 0.000e+00 0.000e+00 -140.852 -140.126 0.727 36.27
|
||||
HS- 0.000e+00 0.000e+00 -141.019 -141.354 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -147.546 -148.559 -1.013 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -282.256 -281.530 0.727 30.09
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50
|
||||
SO4-2 2.734e-04 1.358e-05 -3.563 -4.867 -1.304 85.83
|
||||
MgSO4 6.515e-05 1.853e-03 -4.186 -2.732 1.454 -7.92
|
||||
Mg(SO4)2-2 2.191e-07 8.286e-08 -6.659 -7.082 -0.422 54.97
|
||||
CaHSO4+ 3.984e-09 2.191e-08 -8.400 -7.659 0.740 (0)
|
||||
HSO4- 4.648e-10 2.556e-09 -9.333 -8.592 0.740 42.16
|
||||
CaSO4 2.094e-03 4.409e-03 -2.679 -2.356 0.323 7.22
|
||||
NaSO4- 1.511e-03 4.196e-03 -2.821 -2.377 0.444 35.63
|
||||
SO4-2 8.970e-04 4.455e-05 -3.047 -4.351 -1.304 35.42
|
||||
MgSO4 2.136e-04 6.068e-03 -3.670 -2.217 1.453 -0.40
|
||||
Na2SO4 4.989e-06 2.194e-05 -5.302 -4.659 0.643 47.96
|
||||
Mg(SO4)2-2 2.355e-06 8.904e-07 -5.628 -6.050 -0.422 56.94
|
||||
CaHSO4+ 1.302e-08 7.155e-08 -7.885 -7.145 0.740 (0)
|
||||
HSO4- 1.527e-09 8.387e-09 -8.816 -8.076 0.740 42.16
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.74 -5.01 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Anhydrite -0.19 -4.50 -4.31 CaSO4
|
||||
Aragonite -0.15 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -140.97 -143.77 -2.80 CH4
|
||||
CO2(g) -1.51 -2.97 -1.47 CO2
|
||||
CH4(g) -140.93 -143.73 -2.80 CH4
|
||||
CO2(g) -1.50 -2.97 -1.47 CO2
|
||||
Dolomite -0.01 -17.10 -17.08 CaMg(CO3)2
|
||||
Epsomite -4.15 -5.89 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.40 -44.50 -3.10 H2
|
||||
Epsomite -3.63 -5.37 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.16 -4.71 -4.55 CaSO4:2H2O
|
||||
H2(g) -41.39 -44.49 -3.10 H2
|
||||
H2O(g) -1.61 -0.11 1.50 H2O
|
||||
H2S(g) -139.68 -147.62 -7.94 H2S
|
||||
H2S(g) -139.13 -147.07 -7.94 H2S
|
||||
Halite 0.08 1.65 1.57 NaCl
|
||||
Hexahydrite -4.22 -5.78 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.09 -5.26 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O
|
||||
Hexahydrite -3.70 -5.27 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.58 -4.74 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.64 -3.34 -0.71 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
Sulfur -104.21 -99.33 4.88 S
|
||||
Thenardite -2.51 -2.81 -0.30 Na2SO4
|
||||
Sulfur -103.67 -98.79 4.88 S
|
||||
Thenardite -2.94 -2.29 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -230,8 +232,8 @@ 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 1.065e-01 6.536e-03
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 1.059e-01 5.898e-03
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -2.953e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -239,27 +241,27 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03
|
||||
|
||||
As 2.500e-08 2.500e-08
|
||||
C 3.968e-03 3.968e-03
|
||||
Ca 4.622e-01 4.622e-01
|
||||
Ca 4.626e-01 4.626e-01
|
||||
Cl 6.642e+00 6.642e+00
|
||||
Mg 1.642e-01 1.642e-01
|
||||
Mg 1.639e-01 1.639e-01
|
||||
Na 5.402e+00 5.402e+00
|
||||
S 4.725e-03 4.725e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.720 Charge balance
|
||||
pe = 14.955 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 242973
|
||||
Density (g/cm³) = 1.21636
|
||||
Volume (L) = 1.13689
|
||||
Viscosity (mPa s) = 1.95495
|
||||
pe = 14.950 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 243276
|
||||
Density (g/cm³) = 1.21641
|
||||
Volume (L) = 1.13685
|
||||
Viscosity (mPa s) = 1.95167
|
||||
Activity of water = 0.785
|
||||
Ionic strength (mol/kgw) = 7.270e+00
|
||||
Ionic strength (mol/kgw) = 7.267e+00
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.625e-03
|
||||
Total alkalinity (eq/kg) = 3.623e-03
|
||||
Total CO2 (mol/kg) = 3.968e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 3.117e-09
|
||||
Electrical balance (eq) = 2.017e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 2
|
||||
Total H = 1.110160e+02
|
||||
@ -270,87 +272,89 @@ Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 2.712e-06 1.905e-06 -5.567 -5.720 -0.153 0.00
|
||||
OH- 9.023e-09 4.168e-09 -8.045 -8.380 -0.335 6.33
|
||||
H+ 2.710e-06 1.904e-06 -5.567 -5.720 -0.153 0.00
|
||||
OH- 9.029e-09 4.171e-09 -8.044 -8.380 -0.335 6.33
|
||||
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
|
||||
As 2.500e-08
|
||||
H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0)
|
||||
HAsO4-2 8.646e-12 7.906e-09 -11.063 -8.102 2.961 (0)
|
||||
H3AsO4 8.529e-12 4.549e-11 -11.069 -10.342 0.727 (0)
|
||||
AsO4-3 2.854e-21 1.312e-14 -20.545 -13.882 6.663 (0)
|
||||
H2AsO4- 2.498e-08 1.373e-07 -7.602 -6.862 0.740 (0)
|
||||
HAsO4-2 8.675e-12 7.905e-09 -11.062 -8.102 2.960 (0)
|
||||
H3AsO4 8.520e-12 4.541e-11 -11.070 -10.343 0.727 (0)
|
||||
AsO4-3 2.878e-21 1.313e-14 -20.541 -13.882 6.659 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -144.506 -143.780 0.727 35.46
|
||||
CH4 0.000e+00 0.000e+00 -144.470 -143.744 0.727 35.46
|
||||
C(4) 3.968e-03
|
||||
MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01
|
||||
CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 10.08
|
||||
CO2 3.437e-04 1.038e-03 -3.464 -2.984 0.480 34.43
|
||||
HCO3- 3.286e-04 1.901e-04 -3.483 -3.721 -0.238 37.32
|
||||
NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73
|
||||
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
|
||||
MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
|
||||
CO3-2 4.181e-08 4.678e-09 -7.379 -8.330 -0.951 10.19
|
||||
(CO2)2 3.706e-09 1.976e-08 -8.431 -7.704 0.727 68.87
|
||||
Ca 4.622e-01
|
||||
Ca+2 4.611e-01 7.079e-01 -0.336 -0.150 0.186 -13.79
|
||||
CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 10.08
|
||||
CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50
|
||||
CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60
|
||||
CaOH+ 8.798e-09 4.838e-08 -8.056 -7.315 0.740 (0)
|
||||
CaHSO4+ 3.893e-09 2.141e-08 -8.410 -7.669 0.740 (0)
|
||||
MgHCO3+ 2.373e-03 1.182e-03 -2.625 -2.927 -0.303 6.01
|
||||
CaHCO3+ 8.562e-04 5.186e-04 -3.067 -3.285 -0.218 10.08
|
||||
CO2 3.448e-04 1.040e-03 -3.462 -2.983 0.480 34.43
|
||||
HCO3- 3.297e-04 1.907e-04 -3.482 -3.720 -0.238 37.31
|
||||
NaHCO3 6.268e-05 1.781e-03 -4.203 -2.749 1.453 31.73
|
||||
CaCO3 1.044e-06 5.563e-06 -5.981 -5.255 0.727 -14.60
|
||||
MgCO3 4.455e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
|
||||
CO3-2 4.198e-08 4.697e-09 -7.377 -8.328 -0.951 10.19
|
||||
(CO2)2 3.727e-09 1.986e-08 -8.429 -7.702 0.727 68.87
|
||||
Ca 4.626e-01
|
||||
Ca+2 4.596e-01 7.050e-01 -0.338 -0.152 0.186 -13.79
|
||||
CaSO4 2.085e-03 4.390e-03 -2.681 -2.358 0.323 7.22
|
||||
CaHCO3+ 8.562e-04 5.186e-04 -3.067 -3.285 -0.218 10.08
|
||||
CaCO3 1.044e-06 5.563e-06 -5.981 -5.255 0.727 -14.60
|
||||
CaHSO4+ 1.275e-08 7.003e-08 -7.895 -7.155 0.740 (0)
|
||||
CaOH+ 8.776e-09 4.822e-08 -8.057 -7.317 0.740 (0)
|
||||
Cl 6.642e+00
|
||||
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
|
||||
HCl 2.202e-09 2.734e-06 -8.657 -5.563 3.094 (0)
|
||||
HCl 2.205e-09 2.731e-06 -8.657 -5.564 3.093 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
|
||||
Mg 1.642e-01
|
||||
Mg+2 1.617e-01 5.320e-01 -0.791 -0.274 0.517 -17.22
|
||||
MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01
|
||||
MgSO4 6.650e-05 1.891e-03 -4.177 -2.723 1.454 -7.92
|
||||
MgOH+ 1.271e-06 7.954e-07 -5.896 -6.099 -0.204 (0)
|
||||
MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
|
||||
Mg(SO4)2-2 2.237e-07 8.458e-08 -6.650 -7.073 -0.422 54.97
|
||||
H2 0.000e+00 0.000e+00 -45.217 -44.490 0.727 28.61
|
||||
Mg 1.639e-01
|
||||
Mg+2 1.613e-01 5.298e-01 -0.792 -0.276 0.517 -17.22
|
||||
MgHCO3+ 2.373e-03 1.182e-03 -2.625 -2.927 -0.303 6.01
|
||||
MgSO4 2.180e-04 6.192e-03 -3.662 -2.208 1.453 -0.40
|
||||
Mg(SO4)2-2 2.408e-06 9.104e-07 -5.618 -6.041 -0.422 56.94
|
||||
MgOH+ 1.267e-06 7.927e-07 -5.897 -6.101 -0.204 (0)
|
||||
MgCO3 4.455e-07 2.375e-06 -6.351 -5.624 0.727 -17.09
|
||||
Na 5.402e+00
|
||||
Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73
|
||||
O(0) 9.585e-05
|
||||
O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
Na+ 5.400e+00 1.072e+01 0.732 1.030 0.298 1.52
|
||||
NaSO4- 1.514e-03 4.204e-03 -2.820 -2.376 0.444 35.63
|
||||
NaHCO3 6.268e-05 1.781e-03 -4.203 -2.749 1.453 31.73
|
||||
Na2SO4 4.999e-06 2.198e-05 -5.301 -4.658 0.643 47.96
|
||||
O(0) 9.591e-05
|
||||
O2 4.796e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -141.418 -140.691 0.727 36.27
|
||||
HS- 0.000e+00 0.000e+00 -141.577 -141.912 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -283.387 -282.660 0.727 30.09
|
||||
H2S 0.000e+00 0.000e+00 -140.866 -140.140 0.727 36.27
|
||||
HS- 0.000e+00 0.000e+00 -141.026 -141.361 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -147.545 -148.559 -1.013 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -282.284 -281.557 0.727 30.09
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76
|
||||
CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50
|
||||
SO4-2 2.735e-04 1.358e-05 -3.563 -4.867 -1.304 85.83
|
||||
MgSO4 6.650e-05 1.891e-03 -4.177 -2.723 1.454 -7.92
|
||||
Mg(SO4)2-2 2.237e-07 8.458e-08 -6.650 -7.073 -0.422 54.97
|
||||
CaHSO4+ 3.893e-09 2.141e-08 -8.410 -7.669 0.740 (0)
|
||||
HSO4- 4.574e-10 2.515e-09 -9.340 -8.599 0.740 42.16
|
||||
CaSO4 2.085e-03 4.390e-03 -2.681 -2.358 0.323 7.22
|
||||
NaSO4- 1.514e-03 4.204e-03 -2.820 -2.376 0.444 35.63
|
||||
SO4-2 8.987e-04 4.464e-05 -3.046 -4.350 -1.304 35.42
|
||||
MgSO4 2.180e-04 6.192e-03 -3.662 -2.208 1.453 -0.40
|
||||
Na2SO4 4.999e-06 2.198e-05 -5.301 -4.658 0.643 47.96
|
||||
Mg(SO4)2-2 2.408e-06 9.104e-07 -5.618 -6.041 -0.422 56.94
|
||||
CaHSO4+ 1.275e-08 7.003e-08 -7.895 -7.155 0.740 (0)
|
||||
HSO4- 1.504e-09 8.262e-09 -8.823 -8.083 0.740 42.16
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.74 -5.02 -4.28 CaSO4
|
||||
Anhydrite -0.19 -4.50 -4.31 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -140.98 -143.78 -2.80 CH4
|
||||
CO2(g) -1.52 -2.98 -1.47 CO2
|
||||
CH4(g) -140.94 -143.74 -2.80 CH4
|
||||
CO2(g) -1.51 -2.98 -1.47 CO2
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -4.14 -5.88 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.65 -5.23 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.40 -44.50 -3.10 H2
|
||||
Epsomite -3.63 -5.36 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.16 -4.71 -4.55 CaSO4:2H2O
|
||||
H2(g) -41.39 -44.49 -3.10 H2
|
||||
H2O(g) -1.61 -0.11 1.50 H2O
|
||||
H2S(g) -139.70 -147.63 -7.94 H2S
|
||||
H2S(g) -139.15 -147.08 -7.94 H2S
|
||||
Halite 0.08 1.65 1.57 NaCl
|
||||
Hexahydrite -4.21 -5.77 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.09 -5.25 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O
|
||||
Hexahydrite -3.69 -5.26 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.57 -4.73 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.64 -3.34 -0.71 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -104.22 -99.34 4.88 S
|
||||
Thenardite -2.51 -2.81 -0.30 Na2SO4
|
||||
Sulfur -103.68 -98.80 4.88 S
|
||||
Thenardite -2.94 -2.29 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -383,9 +387,9 @@ X 1.000e+00 mol
|
||||
Equiv- Equivalent Log
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
NaX 9.010e-01 9.010e-01 9.010e-01 0.298
|
||||
CaX2 4.053e-02 8.105e-02 8.105e-02 0.186
|
||||
MgX2 8.970e-03 1.794e-02 1.794e-02 0.517
|
||||
NaX 9.013e-01 9.013e-01 9.013e-01 0.298
|
||||
CaX2 4.039e-02 8.078e-02 8.078e-02 0.186
|
||||
MgX2 8.941e-03 1.788e-02 1.788e-02 0.517
|
||||
|
||||
------------------------------------------------------
|
||||
Beginning of initial surface-composition calculations.
|
||||
@ -396,7 +400,7 @@ Surface 1.
|
||||
Diffuse Double Layer Surface-Complexation Model
|
||||
|
||||
Surf
|
||||
5.630e-02 Surface charge, eq
|
||||
5.629e-02 Surface charge, eq
|
||||
3.018e-01 sigma, C/m²
|
||||
4.360e-02 psi, V
|
||||
-1.697e+00 -F*psi/RT
|
||||
@ -411,11 +415,11 @@ Surf
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
SurfOH2+ 5.939e-02 0.848 5.939e-02 -1.226
|
||||
SurfOH 8.727e-03 0.125 8.727e-03 -2.059
|
||||
SurfHAsO4- 9.359e-04 0.013 9.359e-04 -3.029
|
||||
SurfOHAsO4-3 7.082e-04 0.010 7.082e-04 -3.150
|
||||
SurfH2AsO4 2.061e-04 0.003 2.061e-04 -3.686
|
||||
SurfO- 2.938e-05 0.000 2.938e-05 -4.532
|
||||
SurfOH 8.733e-03 0.125 8.733e-03 -2.059
|
||||
SurfHAsO4- 9.358e-04 0.013 9.358e-04 -3.029
|
||||
SurfOHAsO4-3 7.091e-04 0.010 7.091e-04 -3.149
|
||||
SurfH2AsO4 2.059e-04 0.003 2.059e-04 -3.686
|
||||
SurfO- 2.942e-05 0.000 2.942e-05 -4.531
|
||||
|
||||
------------------
|
||||
End of simulation.
|
||||
@ -462,18 +466,18 @@ Initial solution 0. 20 x precipitation
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 4.600
|
||||
pe = 16.022 Equilibrium with O2(g)
|
||||
pe = 16.018 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 81
|
||||
Density (g/cm³) = 0.99708
|
||||
Volume (L) = 1.00298
|
||||
Viscosity (mPa s) = 0.89051
|
||||
Viscosity (mPa s) = 0.89049
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.036e-03
|
||||
Ionic strength (mol/kgw) = 1.041e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -2.630e-05
|
||||
Total alkalinity (eq/kg) = -2.631e-05
|
||||
Total CO2 (mol/kg) = 1.096e-05
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 1.978e-16
|
||||
Electrical balance (eq) = 1.884e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
@ -488,78 +492,80 @@ 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 35.46
|
||||
CH4 0.000e+00 0.000e+00 -145.518 -145.518 0.000 35.46
|
||||
C(4) 1.096e-05
|
||||
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 24.58
|
||||
CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 9.67
|
||||
MgHCO3+ 6.872e-11 6.627e-11 -10.163 -10.179 -0.016 5.48
|
||||
NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73
|
||||
CaHCO3+ 1.235e-10 1.192e-10 -9.908 -9.924 -0.015 9.67
|
||||
MgHCO3+ 6.869e-11 6.624e-11 -10.163 -10.179 -0.016 5.48
|
||||
NaHCO3 1.960e-11 1.961e-11 -10.708 -10.708 0.000 31.73
|
||||
(CO2)2 2.126e-12 2.127e-12 -11.672 -11.672 0.000 68.87
|
||||
CO3-2 4.105e-13 3.558e-13 -12.387 -12.449 -0.062 -3.93
|
||||
CaCO3 9.632e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
|
||||
MgCO3 1.009e-14 1.009e-14 -13.996 -13.996 0.000 -17.09
|
||||
CO3-2 4.107e-13 3.558e-13 -12.386 -12.449 -0.062 -3.93
|
||||
CaCO3 9.689e-14 9.691e-14 -13.014 -13.014 0.000 -14.60
|
||||
MgCO3 1.008e-14 1.009e-14 -13.996 -13.996 0.000 -17.09
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.860e-04 1.612e-04 -3.731 -3.793 -0.062 -18.14
|
||||
CaSO4 5.634e-06 5.635e-06 -5.249 -5.249 0.000 7.50
|
||||
CaHSO4+ 9.648e-10 9.304e-10 -9.016 -9.031 -0.016 (0)
|
||||
CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 9.67
|
||||
CaOH+ 1.104e-12 1.065e-12 -11.957 -11.973 -0.016 (0)
|
||||
CaCO3 9.632e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
|
||||
Ca+2 1.872e-04 1.621e-04 -3.728 -3.790 -0.062 -18.14
|
||||
CaSO4 4.471e-06 4.471e-06 -5.350 -5.350 0.000 7.22
|
||||
CaHSO4+ 9.760e-10 9.411e-10 -9.011 -9.026 -0.016 (0)
|
||||
CaHCO3+ 1.235e-10 1.192e-10 -9.908 -9.924 -0.015 9.67
|
||||
CaOH+ 1.111e-12 1.071e-12 -11.954 -11.970 -0.016 (0)
|
||||
CaCO3 9.689e-14 9.691e-14 -13.014 -13.014 0.000 -14.60
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.289e-04 -3.874 -3.890 -0.016 18.08
|
||||
HCl 1.114e-09 1.116e-09 -8.953 -8.952 0.000 (0)
|
||||
HCl 1.114e-09 1.116e-09 -8.953 -8.953 0.000 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.394 -44.394 0.000 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.385 -44.385 0.000 28.61
|
||||
Mg 3.580e-05
|
||||
Mg+2 3.427e-05 2.972e-05 -4.465 -4.527 -0.062 -21.82
|
||||
MgSO4 1.529e-06 1.530e-06 -5.816 -5.815 0.000 -7.92
|
||||
Mg(SO4)2-2 1.140e-09 9.908e-10 -8.943 -9.004 -0.061 -4.49
|
||||
MgHCO3+ 6.872e-11 6.627e-11 -10.163 -10.179 -0.016 5.48
|
||||
MgOH+ 4.450e-12 4.296e-12 -11.352 -11.367 -0.015 (0)
|
||||
MgCO3 1.009e-14 1.009e-14 -13.996 -13.996 0.000 -17.09
|
||||
Mg+2 3.426e-05 2.970e-05 -4.465 -4.527 -0.062 -21.82
|
||||
MgSO4 1.537e-06 1.538e-06 -5.813 -5.813 0.000 -0.40
|
||||
Mg(SO4)2-2 1.153e-09 1.001e-09 -8.938 -8.999 -0.061 33.95
|
||||
MgHCO3+ 6.869e-11 6.624e-11 -10.163 -10.179 -0.016 5.48
|
||||
MgOH+ 4.448e-12 4.293e-12 -11.352 -11.367 -0.015 (0)
|
||||
MgCO3 1.008e-14 1.009e-14 -13.996 -13.996 0.000 -17.09
|
||||
Na 1.227e-04
|
||||
Na+ 1.223e-04 1.179e-04 -3.913 -3.928 -0.016 -1.48
|
||||
NaSO4- 3.912e-07 3.775e-07 -6.408 -6.423 -0.016 -20.88
|
||||
NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73
|
||||
Na+ 1.225e-04 1.181e-04 -3.912 -3.928 -0.016 -1.48
|
||||
NaSO4- 2.127e-07 2.051e-07 -6.672 -6.688 -0.016 16.59
|
||||
NaHCO3 1.960e-11 1.961e-11 -10.708 -10.708 0.000 31.73
|
||||
Na2SO4 1.181e-14 1.181e-14 -13.928 -13.928 0.000 47.96
|
||||
O(0) 5.111e-04
|
||||
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -137.290 -137.290 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -139.616 -139.632 -0.016 20.60
|
||||
S-2 0.000e+00 0.000e+00 -147.887 -147.950 -0.062 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -275.858 -275.858 0.000 30.09
|
||||
H2S 0.000e+00 0.000e+00 -137.253 -137.253 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -139.578 -139.594 -0.016 20.60
|
||||
S-2 0.000e+00 0.000e+00 -147.850 -147.912 -0.063 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -275.783 -275.783 0.000 30.09
|
||||
S(6) 2.351e-04
|
||||
SO4-2 2.270e-04 1.966e-04 -3.644 -3.706 -0.062 15.61
|
||||
CaSO4 5.634e-06 5.635e-06 -5.249 -5.249 0.000 7.50
|
||||
MgSO4 1.529e-06 1.530e-06 -5.816 -5.815 0.000 -7.92
|
||||
HSO4- 4.979e-07 4.802e-07 -6.303 -6.319 -0.016 40.28
|
||||
NaSO4- 3.912e-07 3.775e-07 -6.408 -6.423 -0.016 -20.88
|
||||
Mg(SO4)2-2 1.140e-09 9.908e-10 -8.943 -9.004 -0.061 -4.49
|
||||
CaHSO4+ 9.648e-10 9.304e-10 -9.016 -9.031 -0.016 (0)
|
||||
SO4-2 2.283e-04 1.977e-04 -3.641 -3.704 -0.063 14.53
|
||||
CaSO4 4.471e-06 4.471e-06 -5.350 -5.350 0.000 7.22
|
||||
MgSO4 1.537e-06 1.538e-06 -5.813 -5.813 0.000 -0.40
|
||||
HSO4- 5.007e-07 4.828e-07 -6.300 -6.316 -0.016 40.28
|
||||
NaSO4- 2.127e-07 2.051e-07 -6.672 -6.688 -0.016 16.59
|
||||
Mg(SO4)2-2 1.153e-09 1.001e-09 -8.938 -8.999 -0.061 33.95
|
||||
CaHSO4+ 9.760e-10 9.411e-10 -9.011 -9.026 -0.016 (0)
|
||||
Na2SO4 1.181e-14 1.181e-14 -13.928 -13.928 0.000 47.96
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -3.22 -7.50 -4.28 CaSO4
|
||||
Aragonite -7.91 -16.24 -8.34 CaCO3
|
||||
Anhydrite -3.18 -7.49 -4.31 CaSO4
|
||||
Aragonite -7.90 -16.24 -8.34 CaCO3
|
||||
Calcite -7.76 -16.24 -8.48 CaCO3
|
||||
CH4(g) -142.75 -145.55 -2.80 CH4
|
||||
CH4(g) -142.72 -145.52 -2.80 CH4
|
||||
CO2(g) -3.50 -4.97 -1.47 CO2
|
||||
Dolomite -16.13 -33.22 -17.08 CaMg(CO3)2
|
||||
Dolomite -16.13 -33.21 -17.08 CaMg(CO3)2
|
||||
Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.92 -7.50 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
Gypsum -2.95 -7.49 -4.55 CaSO4:2H2O
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -136.30 -144.23 -7.94 H2S
|
||||
H2S(g) -136.26 -144.19 -7.94 H2S
|
||||
Halite -9.39 -7.82 1.57 NaCl
|
||||
Hexahydrite -6.67 -8.23 -1.57 MgSO4:6H2O
|
||||
Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.07 -8.23 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.32 -11.56 -1.24 Na2SO4:10H2O
|
||||
Mirabilite -10.85 -11.56 -0.71 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
Sulfur -100.93 -96.05 4.88 S
|
||||
Thenardite -11.26 -11.56 -0.30 Na2SO4
|
||||
Sulfur -100.90 -96.02 4.88 S
|
||||
Thenardite -12.21 -11.56 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -578,122 +584,124 @@ Using pure phase assemblage 0.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.032e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 9.974e-02 -2.569e-04
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.375e-03
|
||||
CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.031e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 9.975e-02 -2.516e-04
|
||||
Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.377e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 7.051e-03 7.051e-03
|
||||
Ca 1.824e-03 1.824e-03
|
||||
C 7.049e-03 7.049e-03
|
||||
Ca 1.821e-03 1.821e-03
|
||||
Cl 1.337e-04 1.337e-04
|
||||
Mg 1.411e-03 1.411e-03
|
||||
Mg 1.413e-03 1.413e-03
|
||||
Na 1.227e-04 1.227e-04
|
||||
S 2.351e-04 2.351e-04
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.047 Charge balance
|
||||
pe = 13.576 Adjusted to redox equilibrium
|
||||
pH = 7.046 Charge balance
|
||||
pe = 13.571 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 602
|
||||
Density (g/cm³) = 0.99746
|
||||
Volume (L) = 1.00305
|
||||
Viscosity (mPa s) = 0.89550
|
||||
Viscosity (mPa s) = 0.89566
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 9.649e-03
|
||||
Ionic strength (mol/kgw) = 9.663e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 5.989e-03
|
||||
Total CO2 (mol/kg) = 7.051e-03
|
||||
Total alkalinity (eq/kg) = 5.987e-03
|
||||
Total CO2 (mol/kg) = 7.049e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.051e-15
|
||||
Electrical balance (eq) = 1.893e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
Total O = 5.552478e+01
|
||||
Total O = 5.552477e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.250e-07 1.126e-07 -6.903 -6.948 -0.045 -4.04
|
||||
H+ 9.823e-08 8.983e-08 -7.008 -7.047 -0.039 0.00
|
||||
OH- 1.249e-07 1.126e-07 -6.903 -6.948 -0.045 -4.04
|
||||
H+ 9.828e-08 8.987e-08 -7.008 -7.046 -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 -143.556 -143.555 0.001 35.46
|
||||
C(4) 7.051e-03
|
||||
HCO3- 5.875e-03 5.326e-03 -2.231 -2.274 -0.043 24.65
|
||||
CH4 0.000e+00 0.000e+00 -143.521 -143.520 0.001 35.46
|
||||
C(4) 7.049e-03
|
||||
HCO3- 5.873e-03 5.324e-03 -2.231 -2.274 -0.043 24.65
|
||||
CO2 1.074e-03 1.076e-03 -2.969 -2.968 0.001 34.43
|
||||
MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53
|
||||
CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 9.72
|
||||
MgHCO3+ 6.180e-05 5.580e-05 -4.209 -4.253 -0.044 5.53
|
||||
CaHCO3+ 2.696e-05 2.448e-05 -4.569 -4.611 -0.042 9.72
|
||||
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
|
||||
CO3-2 4.119e-06 2.780e-06 -5.385 -5.556 -0.171 -3.67
|
||||
CO3-2 4.116e-06 2.778e-06 -5.386 -5.556 -0.171 -3.67
|
||||
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
|
||||
NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73
|
||||
NaHCO3 5.096e-07 5.119e-07 -6.293 -6.291 0.002 31.73
|
||||
(CO2)2 2.120e-08 2.125e-08 -7.674 -7.673 0.001 68.87
|
||||
Ca 1.824e-03
|
||||
Ca+2 1.766e-03 1.191e-03 -2.753 -2.924 -0.171 -17.93
|
||||
CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 9.72
|
||||
CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50
|
||||
Ca 1.821e-03
|
||||
Ca+2 1.768e-03 1.192e-03 -2.753 -2.924 -0.171 -17.93
|
||||
CaHCO3+ 2.696e-05 2.448e-05 -4.569 -4.611 -0.042 9.72
|
||||
CaSO4 2.065e-05 2.068e-05 -4.685 -4.685 0.000 7.22
|
||||
CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60
|
||||
CaOH+ 2.435e-09 2.200e-09 -8.613 -8.658 -0.044 (0)
|
||||
CaHSO4+ 1.681e-11 1.519e-11 -10.774 -10.819 -0.044 (0)
|
||||
CaOH+ 2.437e-09 2.201e-09 -8.613 -8.657 -0.044 (0)
|
||||
CaHSO4+ 1.724e-11 1.557e-11 -10.764 -10.808 -0.044 (0)
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
|
||||
HCl 3.698e-12 3.733e-12 -11.432 -11.428 0.004 (0)
|
||||
HCl 3.699e-12 3.735e-12 -11.432 -11.428 0.004 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
|
||||
Mg 1.411e-03
|
||||
Mg+2 1.319e-03 8.951e-04 -2.880 -3.048 -0.168 -21.62
|
||||
MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53
|
||||
MgSO4 2.833e-05 2.845e-05 -4.548 -4.546 0.002 -7.92
|
||||
H2 0.000e+00 0.000e+00 -44.387 -44.386 0.001 28.61
|
||||
Mg 1.413e-03
|
||||
Mg+2 1.320e-03 8.958e-04 -2.879 -3.048 -0.168 -21.62
|
||||
MgHCO3+ 6.180e-05 5.580e-05 -4.209 -4.253 -0.044 5.53
|
||||
MgSO4 2.903e-05 2.916e-05 -4.537 -4.535 0.002 -0.40
|
||||
MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09
|
||||
MgOH+ 3.979e-08 3.617e-08 -7.400 -7.442 -0.041 (0)
|
||||
Mg(SO4)2-2 1.656e-08 1.138e-08 -7.781 -7.944 -0.163 6.69
|
||||
MgOH+ 3.981e-08 3.618e-08 -7.400 -7.441 -0.041 (0)
|
||||
Mg(SO4)2-2 1.739e-08 1.194e-08 -7.760 -7.923 -0.163 37.85
|
||||
Na 1.227e-04
|
||||
Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
|
||||
NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73
|
||||
NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
|
||||
Na+ 1.220e-04 1.104e-04 -3.914 -3.957 -0.044 -1.38
|
||||
NaHCO3 5.096e-07 5.119e-07 -6.293 -6.291 0.002 31.73
|
||||
NaSO4- 1.334e-07 1.206e-07 -6.875 -6.919 -0.044 16.98
|
||||
Na2SO4 6.478e-15 6.491e-15 -14.189 -14.188 0.001 47.96
|
||||
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 -142.244 -142.289 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.395 -142.394 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.988 -148.161 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -286.067 -286.066 0.001 30.09
|
||||
HS- 0.000e+00 0.000e+00 -142.199 -142.244 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.349 -142.348 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.943 -148.115 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -285.976 -285.975 0.001 30.09
|
||||
S(6) 2.351e-04
|
||||
SO4-2 1.808e-04 1.214e-04 -3.743 -3.916 -0.173 17.83
|
||||
MgSO4 2.833e-05 2.845e-05 -4.548 -4.546 0.002 -7.92
|
||||
CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50
|
||||
NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
|
||||
Mg(SO4)2-2 1.656e-08 1.138e-08 -7.781 -7.944 -0.163 6.69
|
||||
HSO4- 1.174e-09 1.060e-09 -8.930 -8.975 -0.044 40.34
|
||||
CaHSO4+ 1.681e-11 1.519e-11 -10.774 -10.819 -0.044 (0)
|
||||
SO4-2 1.852e-04 1.243e-04 -3.732 -3.905 -0.173 14.68
|
||||
MgSO4 2.903e-05 2.916e-05 -4.537 -4.535 0.002 -0.40
|
||||
CaSO4 2.065e-05 2.068e-05 -4.685 -4.685 0.000 7.22
|
||||
NaSO4- 1.334e-07 1.206e-07 -6.875 -6.919 -0.044 16.98
|
||||
Mg(SO4)2-2 1.739e-08 1.194e-08 -7.760 -7.923 -0.163 37.85
|
||||
HSO4- 1.203e-09 1.086e-09 -8.920 -8.964 -0.044 40.34
|
||||
CaHSO4+ 1.724e-11 1.557e-11 -10.764 -10.808 -0.044 (0)
|
||||
Na2SO4 6.478e-15 6.491e-15 -14.189 -14.188 0.001 47.96
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -2.56 -6.84 -4.28 CaSO4
|
||||
Anhydrite -2.51 -6.83 -4.31 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -140.75 -143.56 -2.80 CH4
|
||||
CH4(g) -140.72 -143.52 -2.80 CH4
|
||||
CO2(g) -1.50 -2.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -5.23 -6.96 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
Epsomite -5.22 -6.95 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.28 -6.83 -4.55 CaSO4:2H2O
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -141.40 -149.34 -7.94 H2S
|
||||
H2S(g) -141.35 -149.29 -7.94 H2S
|
||||
Halite -9.45 -7.88 1.57 NaCl
|
||||
Hexahydrite -5.40 -6.96 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.80 -6.96 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O
|
||||
Hexahydrite -5.39 -6.95 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.79 -6.95 -1.16 MgSO4:H2O
|
||||
Mirabilite -11.11 -11.82 -0.71 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -106.03 -101.15 4.88 S
|
||||
Thenardite -11.53 -11.83 -0.30 Na2SO4
|
||||
Sulfur -105.99 -101.11 4.88 S
|
||||
Thenardite -12.47 -11.82 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -941,16 +949,16 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00
|
||||
Dolomite 0.00 -17.08 -17.08 1.567e+00 1.567e+00 3.988e-07
|
||||
Dolomite 0.00 -17.08 -17.08 1.567e+00 1.567e+00 4.124e-07
|
||||
|
||||
------------------------------Surface composition------------------------------
|
||||
|
||||
Diffuse Double Layer Surface-Complexation Model
|
||||
|
||||
Surf
|
||||
2.452e-03 Surface charge, eq
|
||||
1.314e-02 sigma, C/m²
|
||||
5.022e-02 psi, V
|
||||
2.454e-03 Surface charge, eq
|
||||
1.315e-02 sigma, C/m²
|
||||
5.023e-02 psi, V
|
||||
-1.955e+00 -F*psi/RT
|
||||
1.416e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m²/g
|
||||
@ -962,12 +970,12 @@ Surf
|
||||
Mole Log
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
SurfOH 5.085e-02 0.726 5.086e-02 -1.294
|
||||
SurfOH 5.085e-02 0.726 5.085e-02 -1.294
|
||||
SurfOH2+ 1.263e-02 0.180 1.263e-02 -1.899
|
||||
SurfO- 4.692e-03 0.067 4.693e-03 -2.329
|
||||
SurfOHAsO4-3 1.826e-03 0.026 1.826e-03 -2.738
|
||||
SurfHAsO4- 2.521e-06 0.000 2.521e-06 -5.598
|
||||
SurfH2AsO4 2.025e-08 0.000 2.025e-08 -7.694
|
||||
SurfO- 4.691e-03 0.067 4.691e-03 -2.329
|
||||
SurfOHAsO4-3 1.827e-03 0.026 1.827e-03 -2.738
|
||||
SurfHAsO4- 2.523e-06 0.000 2.523e-06 -5.598
|
||||
SurfH2AsO4 2.027e-08 0.000 2.027e-08 -7.693
|
||||
|
||||
-----------------------------Exchange composition------------------------------
|
||||
|
||||
@ -976,37 +984,37 @@ X 1.000e+00 mol
|
||||
Equiv- Equivalent Log
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
CaX2 3.368e-01 6.735e-01 6.735e-01 -0.171
|
||||
MgX2 1.628e-01 3.255e-01 3.255e-01 -0.168
|
||||
NaX 9.536e-04 9.536e-04 9.536e-04 -0.043
|
||||
CaX2 3.366e-01 6.733e-01 6.733e-01 -0.171
|
||||
MgX2 1.629e-01 3.258e-01 3.258e-01 -0.168
|
||||
NaX 9.540e-04 9.540e-04 9.540e-04 -0.043
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
As 1.837e-10 1.837e-10
|
||||
C 7.050e-03 7.050e-03
|
||||
Ca 1.803e-03 1.803e-03
|
||||
As 1.838e-10 1.838e-10
|
||||
C 7.048e-03 7.048e-03
|
||||
Ca 1.799e-03 1.799e-03
|
||||
Cl 1.337e-04 1.337e-04
|
||||
Mg 1.431e-03 1.431e-03
|
||||
Mg 1.434e-03 1.434e-03
|
||||
Na 1.227e-04 1.227e-04
|
||||
S 2.351e-04 2.351e-04
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.046 Charge balance
|
||||
pe = 13.576 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 602
|
||||
pe = 13.572 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 601
|
||||
Density (g/cm³) = 0.99746
|
||||
Volume (L) = 1.00305
|
||||
Viscosity (mPa s) = 0.89550
|
||||
Viscosity (mPa s) = 0.89566
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 9.645e-03
|
||||
Ionic strength (mol/kgw) = 9.659e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 5.987e-03
|
||||
Total CO2 (mol/kg) = 7.050e-03
|
||||
Total alkalinity (eq/kg) = 5.985e-03
|
||||
Total CO2 (mol/kg) = 7.048e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.167e-09
|
||||
Electrical balance (eq) = 7.192e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 11
|
||||
Total H = 1.110125e+02
|
||||
@ -1018,86 +1026,88 @@ X 1.000e+00 mol
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.248e-07 1.125e-07 -6.904 -6.949 -0.045 -4.04
|
||||
H+ 9.833e-08 8.993e-08 -7.007 -7.046 -0.039 0.00
|
||||
H+ 9.838e-08 8.997e-08 -7.007 -7.046 -0.039 0.00
|
||||
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
|
||||
As 1.837e-10
|
||||
HAsO4-2 1.145e-10 7.625e-11 -9.941 -10.118 -0.177 (0)
|
||||
H2AsO4- 6.923e-11 6.254e-11 -10.160 -10.204 -0.044 (0)
|
||||
AsO4-3 6.692e-15 2.681e-15 -14.174 -14.572 -0.397 (0)
|
||||
H3AsO4 9.752e-16 9.773e-16 -15.011 -15.010 0.001 (0)
|
||||
As 1.838e-10
|
||||
HAsO4-2 1.145e-10 7.627e-11 -9.941 -10.118 -0.177 (0)
|
||||
H2AsO4- 6.927e-11 6.258e-11 -10.159 -10.204 -0.044 (0)
|
||||
AsO4-3 6.694e-15 2.681e-15 -14.174 -14.572 -0.397 (0)
|
||||
H3AsO4 9.762e-16 9.783e-16 -15.010 -15.010 0.001 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46
|
||||
C(4) 7.050e-03
|
||||
HCO3- 5.873e-03 5.324e-03 -2.231 -2.274 -0.043 24.65
|
||||
CH4 0.000e+00 0.000e+00 -143.521 -143.520 0.001 35.46
|
||||
C(4) 7.048e-03
|
||||
HCO3- 5.871e-03 5.322e-03 -2.231 -2.274 -0.043 24.65
|
||||
CO2 1.075e-03 1.077e-03 -2.969 -2.968 0.001 34.43
|
||||
MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53
|
||||
CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 9.72
|
||||
CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60
|
||||
CO3-2 4.113e-06 2.776e-06 -5.386 -5.557 -0.171 -3.67
|
||||
MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09
|
||||
NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73
|
||||
MgHCO3+ 6.270e-05 5.660e-05 -4.203 -4.247 -0.044 5.53
|
||||
CaHCO3+ 2.664e-05 2.418e-05 -4.575 -4.617 -0.042 9.72
|
||||
CaCO3 5.478e-06 5.490e-06 -5.261 -5.260 0.001 -14.60
|
||||
CO3-2 4.110e-06 2.774e-06 -5.386 -5.557 -0.171 -3.67
|
||||
MgCO3 2.401e-06 2.406e-06 -5.620 -5.619 0.001 -17.09
|
||||
NaHCO3 5.095e-07 5.118e-07 -6.293 -6.291 0.002 31.73
|
||||
(CO2)2 2.123e-08 2.128e-08 -7.673 -7.672 0.001 68.87
|
||||
Ca 1.803e-03
|
||||
Ca+2 1.746e-03 1.178e-03 -2.758 -2.929 -0.171 -17.93
|
||||
CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 9.72
|
||||
CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50
|
||||
CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60
|
||||
Ca 1.799e-03
|
||||
Ca+2 1.747e-03 1.178e-03 -2.758 -2.929 -0.171 -17.93
|
||||
CaHCO3+ 2.664e-05 2.418e-05 -4.575 -4.617 -0.042 9.72
|
||||
CaSO4 2.040e-05 2.042e-05 -4.690 -4.690 0.000 7.22
|
||||
CaCO3 5.478e-06 5.490e-06 -5.261 -5.260 0.001 -14.60
|
||||
CaOH+ 2.405e-09 2.173e-09 -8.619 -8.663 -0.044 (0)
|
||||
CaHSO4+ 1.663e-11 1.502e-11 -10.779 -10.823 -0.044 (0)
|
||||
CaHSO4+ 1.704e-11 1.539e-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
|
||||
HCl 3.702e-12 3.737e-12 -11.432 -11.427 0.004 (0)
|
||||
HCl 3.703e-12 3.739e-12 -11.431 -11.427 0.004 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
|
||||
Mg 1.431e-03
|
||||
Mg+2 1.337e-03 9.078e-04 -2.874 -3.042 -0.168 -21.62
|
||||
MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53
|
||||
MgSO4 2.872e-05 2.885e-05 -4.542 -4.540 0.002 -7.92
|
||||
MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09
|
||||
MgOH+ 4.031e-08 3.664e-08 -7.395 -7.436 -0.041 (0)
|
||||
Mg(SO4)2-2 1.678e-08 1.153e-08 -7.775 -7.938 -0.163 6.68
|
||||
H2 0.000e+00 0.000e+00 -44.387 -44.386 0.001 28.61
|
||||
Mg 1.434e-03
|
||||
Mg+2 1.339e-03 9.091e-04 -2.873 -3.041 -0.168 -21.62
|
||||
MgHCO3+ 6.270e-05 5.660e-05 -4.203 -4.247 -0.044 5.53
|
||||
MgSO4 2.944e-05 2.957e-05 -4.531 -4.529 0.002 -0.40
|
||||
MgCO3 2.401e-06 2.406e-06 -5.620 -5.619 0.001 -17.09
|
||||
MgOH+ 4.035e-08 3.668e-08 -7.394 -7.436 -0.041 (0)
|
||||
Mg(SO4)2-2 1.762e-08 1.210e-08 -7.754 -7.917 -0.163 37.85
|
||||
Na 1.227e-04
|
||||
Na+ 1.220e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38
|
||||
NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73
|
||||
NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
|
||||
Na+ 1.221e-04 1.104e-04 -3.913 -3.957 -0.043 -1.38
|
||||
NaHCO3 5.095e-07 5.118e-07 -6.293 -6.291 0.002 31.73
|
||||
NaSO4- 1.334e-07 1.205e-07 -6.875 -6.919 -0.044 16.98
|
||||
Na2SO4 6.477e-15 6.489e-15 -14.189 -14.188 0.001 47.96
|
||||
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 -142.244 -142.289 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.394 -142.393 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.988 -148.161 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -286.066 -286.065 0.001 30.09
|
||||
HS- 0.000e+00 0.000e+00 -142.199 -142.244 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.349 -142.348 0.001 36.27
|
||||
S-2 0.000e+00 0.000e+00 -147.943 -148.116 -0.173 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -285.975 -285.974 0.001 30.09
|
||||
S(6) 2.351e-04
|
||||
SO4-2 1.807e-04 1.214e-04 -3.743 -3.916 -0.173 17.83
|
||||
MgSO4 2.872e-05 2.885e-05 -4.542 -4.540 0.002 -7.92
|
||||
CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50
|
||||
NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24
|
||||
Mg(SO4)2-2 1.678e-08 1.153e-08 -7.775 -7.938 -0.163 6.68
|
||||
HSO4- 1.175e-09 1.061e-09 -8.930 -8.974 -0.044 40.34
|
||||
CaHSO4+ 1.663e-11 1.502e-11 -10.779 -10.823 -0.044 (0)
|
||||
SO4-2 1.851e-04 1.243e-04 -3.733 -3.906 -0.173 14.68
|
||||
MgSO4 2.944e-05 2.957e-05 -4.531 -4.529 0.002 -0.40
|
||||
CaSO4 2.040e-05 2.042e-05 -4.690 -4.690 0.000 7.22
|
||||
NaSO4- 1.334e-07 1.205e-07 -6.875 -6.919 -0.044 16.98
|
||||
Mg(SO4)2-2 1.762e-08 1.210e-08 -7.754 -7.917 -0.163 37.85
|
||||
HSO4- 1.203e-09 1.087e-09 -8.920 -8.964 -0.044 40.34
|
||||
CaHSO4+ 1.704e-11 1.539e-11 -10.769 -10.813 -0.044 (0)
|
||||
Na2SO4 6.477e-15 6.489e-15 -14.189 -14.188 0.001 47.96
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -2.57 -6.84 -4.28 CaSO4
|
||||
Anhydrite -2.52 -6.83 -4.31 CaSO4
|
||||
Aragonite -0.15 -8.49 -8.34 CaCO3
|
||||
Calcite -0.01 -8.49 -8.48 CaCO3
|
||||
CH4(g) -140.75 -143.55 -2.80 CH4
|
||||
CH4(g) -140.72 -143.52 -2.80 CH4
|
||||
CO2(g) -1.50 -2.97 -1.47 CO2
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -5.22 -6.96 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.26 -6.85 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
Epsomite -5.21 -6.95 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.29 -6.83 -4.55 CaSO4:2H2O
|
||||
H2(g) -41.28 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -141.40 -149.34 -7.94 H2S
|
||||
H2S(g) -141.35 -149.29 -7.94 H2S
|
||||
Halite -9.45 -7.88 1.57 NaCl
|
||||
Hexahydrite -5.39 -6.96 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.80 -6.96 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O
|
||||
Hexahydrite -5.38 -6.95 -1.57 MgSO4:6H2O
|
||||
Kieserite -5.79 -6.95 -1.16 MgSO4:H2O
|
||||
Mirabilite -11.11 -11.82 -0.71 Na2SO4:10H2O
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -106.03 -101.15 4.88 S
|
||||
Thenardite -11.53 -11.83 -0.30 Na2SO4
|
||||
Sulfur -105.99 -101.11 4.88 S
|
||||
Thenardite -12.47 -11.82 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
|
||||
402
ex14.sel
402
ex14.sel
@ -1,202 +1,202 @@
|
||||
step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs
|
||||
1 4.6224e-01 1.6417e-01 5.4020e+00 2.5000e-02 5.7200e+00 0.0000e+00
|
||||
1 3.4012e-04 2.8376e-04 9.8893e-02 6.9061e-04 7.1604e+00 1.8502e+00
|
||||
2 2.8798e-05 2.0914e-05 2.4017e-02 7.7563e-02 8.6169e+00 1.8501e+00
|
||||
3 1.4730e-05 9.6045e-06 1.4376e-02 6.0687e-01 9.1600e+00 1.8495e+00
|
||||
4 1.2797e-05 8.0657e-06 1.2262e-02 1.0664e+00 9.3111e+00 1.8485e+00
|
||||
5 1.2388e-05 7.7402e-06 1.1473e-02 1.2555e+00 9.3547e+00 1.8472e+00
|
||||
6 1.2412e-05 7.7568e-06 1.1090e-02 1.2842e+00 9.3600e+00 1.8459e+00
|
||||
7 1.2606e-05 7.9080e-06 1.0866e-02 1.2413e+00 9.3499e+00 1.8447e+00
|
||||
8 1.2879e-05 8.1219e-06 1.0710e-02 1.1714e+00 9.3334e+00 1.8435e+00
|
||||
9 1.3195e-05 8.3693e-06 1.0588e-02 1.0944e+00 9.3143e+00 1.8424e+00
|
||||
10 1.3537e-05 8.6376e-06 1.0483e-02 1.0181e+00 9.2942e+00 1.8414e+00
|
||||
11 1.3899e-05 8.9215e-06 1.0388e-02 9.4559e-01 9.2738e+00 1.8405e+00
|
||||
12 1.4278e-05 9.2189e-06 1.0300e-02 8.7770e-01 9.2533e+00 1.8396e+00
|
||||
13 1.4674e-05 9.5292e-06 1.0218e-02 8.1456e-01 9.2330e+00 1.8388e+00
|
||||
14 1.5086e-05 9.8526e-06 1.0139e-02 7.5594e-01 9.2127e+00 1.8380e+00
|
||||
15 1.5516e-05 1.0190e-05 1.0065e-02 7.0154e-01 9.1925e+00 1.8373e+00
|
||||
16 1.5964e-05 1.0541e-05 9.9941e-03 6.5104e-01 9.1725e+00 1.8367e+00
|
||||
17 1.6431e-05 1.0908e-05 9.9263e-03 6.0413e-01 9.1525e+00 1.8361e+00
|
||||
18 1.6919e-05 1.1291e-05 9.8615e-03 5.6054e-01 9.1325e+00 1.8355e+00
|
||||
19 1.7429e-05 1.1691e-05 9.7994e-03 5.2000e-01 9.1127e+00 1.8350e+00
|
||||
20 1.7963e-05 1.2109e-05 9.7399e-03 4.8229e-01 9.0928e+00 1.8345e+00
|
||||
21 1.8521e-05 1.2547e-05 9.6827e-03 4.4720e-01 9.0729e+00 1.8340e+00
|
||||
22 1.9106e-05 1.3006e-05 9.6278e-03 4.1452e-01 9.0531e+00 1.8336e+00
|
||||
23 1.9719e-05 1.3487e-05 9.5749e-03 3.8410e-01 9.0332e+00 1.8332e+00
|
||||
24 2.0362e-05 1.3991e-05 9.5240e-03 3.5576e-01 9.0133e+00 1.8329e+00
|
||||
25 2.1037e-05 1.4521e-05 9.4749e-03 3.2937e-01 8.9934e+00 1.8326e+00
|
||||
26 2.1746e-05 1.5077e-05 9.4275e-03 3.0479e-01 8.9733e+00 1.8323e+00
|
||||
27 2.2492e-05 1.5662e-05 9.3817e-03 2.8190e-01 8.9533e+00 1.8320e+00
|
||||
28 2.3276e-05 1.6277e-05 9.3374e-03 2.6057e-01 8.9331e+00 1.8317e+00
|
||||
29 2.4102e-05 1.6925e-05 9.2944e-03 2.4072e-01 8.9128e+00 1.8315e+00
|
||||
30 2.4972e-05 1.7607e-05 9.2528e-03 2.2224e-01 8.8925e+00 1.8313e+00
|
||||
31 2.5890e-05 1.8327e-05 9.2123e-03 2.0503e-01 8.8720e+00 1.8310e+00
|
||||
32 2.6858e-05 1.9087e-05 9.1730e-03 1.8903e-01 8.8514e+00 1.8309e+00
|
||||
33 2.7881e-05 1.9889e-05 9.1347e-03 1.7414e-01 8.8307e+00 1.8307e+00
|
||||
34 2.8963e-05 2.0738e-05 9.0973e-03 1.6030e-01 8.8098e+00 1.8305e+00
|
||||
35 3.0107e-05 2.1635e-05 9.0608e-03 1.4744e-01 8.7887e+00 1.8304e+00
|
||||
36 3.1318e-05 2.2585e-05 9.0251e-03 1.3549e-01 8.7675e+00 1.8302e+00
|
||||
37 3.2602e-05 2.3592e-05 8.9902e-03 1.2440e-01 8.7461e+00 1.8301e+00
|
||||
38 3.3964e-05 2.4659e-05 8.9558e-03 1.1412e-01 8.7246e+00 1.8300e+00
|
||||
39 3.5409e-05 2.5793e-05 8.9221e-03 1.0458e-01 8.7028e+00 1.8299e+00
|
||||
40 3.6945e-05 2.6997e-05 8.8888e-03 9.5744e-02 8.6808e+00 1.8298e+00
|
||||
41 3.8578e-05 2.8278e-05 8.8559e-03 8.7564e-02 8.6586e+00 1.8297e+00
|
||||
42 4.0316e-05 2.9641e-05 8.8234e-03 7.9998e-02 8.6362e+00 1.8296e+00
|
||||
43 4.2168e-05 3.1093e-05 8.7911e-03 7.3004e-02 8.6136e+00 1.8296e+00
|
||||
44 4.4143e-05 3.2641e-05 8.7589e-03 6.6546e-02 8.5907e+00 1.8295e+00
|
||||
45 4.6251e-05 3.4294e-05 8.7268e-03 6.0588e-02 8.5675e+00 1.8294e+00
|
||||
46 4.8503e-05 3.6060e-05 8.6947e-03 5.5097e-02 8.5441e+00 1.8294e+00
|
||||
47 5.0912e-05 3.7949e-05 8.6625e-03 5.0041e-02 8.5204e+00 1.8293e+00
|
||||
48 5.3491e-05 3.9971e-05 8.6300e-03 4.5392e-02 8.4964e+00 1.8293e+00
|
||||
49 5.6256e-05 4.2138e-05 8.5972e-03 4.1120e-02 8.4721e+00 1.8292e+00
|
||||
50 5.9221e-05 4.4462e-05 8.5640e-03 3.7201e-02 8.4475e+00 1.8292e+00
|
||||
51 6.2406e-05 4.6958e-05 8.5301e-03 3.3609e-02 8.4226e+00 1.8292e+00
|
||||
52 6.5830e-05 4.9642e-05 8.4956e-03 3.0322e-02 8.3973e+00 1.8291e+00
|
||||
53 6.9514e-05 5.2529e-05 8.4602e-03 2.7317e-02 8.3718e+00 1.8291e+00
|
||||
54 7.3485e-05 5.5640e-05 8.4238e-03 2.4574e-02 8.3459e+00 1.8291e+00
|
||||
55 7.7766e-05 5.8996e-05 8.3863e-03 2.2075e-02 8.3196e+00 1.8291e+00
|
||||
56 8.2389e-05 6.2618e-05 8.3474e-03 1.9801e-02 8.2930e+00 1.8290e+00
|
||||
57 8.7386e-05 6.6532e-05 8.3070e-03 1.7734e-02 8.2660e+00 1.8290e+00
|
||||
58 9.2793e-05 7.0768e-05 8.2648e-03 1.5859e-02 8.2386e+00 1.8290e+00
|
||||
59 9.8649e-05 7.5354e-05 8.2207e-03 1.4162e-02 8.2109e+00 1.8290e+00
|
||||
60 1.0500e-04 8.0327e-05 8.1743e-03 1.2627e-02 8.1828e+00 1.8290e+00
|
||||
61 1.1189e-04 8.5723e-05 8.1255e-03 1.1242e-02 8.1543e+00 1.8290e+00
|
||||
62 1.1938e-04 9.1584e-05 8.0738e-03 9.9950e-03 8.1254e+00 1.8290e+00
|
||||
63 1.2751e-04 9.7956e-05 8.0191e-03 8.8736e-03 8.0962e+00 1.8290e+00
|
||||
64 1.3637e-04 1.0489e-04 7.9610e-03 7.8674e-03 8.0666e+00 1.8289e+00
|
||||
65 1.4602e-04 1.1244e-04 7.8991e-03 6.9663e-03 8.0366e+00 1.8289e+00
|
||||
66 1.5653e-04 1.2066e-04 7.8330e-03 6.1611e-03 8.0062e+00 1.8289e+00
|
||||
67 1.6799e-04 1.2963e-04 7.7623e-03 5.4429e-03 7.9756e+00 1.8289e+00
|
||||
68 1.8049e-04 1.3940e-04 7.6865e-03 4.8037e-03 7.9446e+00 1.8289e+00
|
||||
69 1.9413e-04 1.5007e-04 7.6053e-03 4.2361e-03 7.9133e+00 1.8289e+00
|
||||
70 2.0902e-04 1.6170e-04 7.5180e-03 3.7330e-03 7.8817e+00 1.8289e+00
|
||||
71 2.2526e-04 1.7439e-04 7.4242e-03 3.2880e-03 7.8499e+00 1.8289e+00
|
||||
72 2.4297e-04 1.8823e-04 7.3235e-03 2.8954e-03 7.8180e+00 1.8289e+00
|
||||
73 2.6228e-04 2.0331e-04 7.2151e-03 2.5496e-03 7.7859e+00 1.8289e+00
|
||||
74 2.8331e-04 2.1973e-04 7.0987e-03 2.2456e-03 7.7537e+00 1.8289e+00
|
||||
75 3.0619e-04 2.3759e-04 6.9737e-03 1.9790e-03 7.7214e+00 1.8289e+00
|
||||
76 3.3104e-04 2.5698e-04 6.8397e-03 1.7456e-03 7.6893e+00 1.8289e+00
|
||||
77 3.5798e-04 2.7798e-04 6.6963e-03 1.5416e-03 7.6572e+00 1.8289e+00
|
||||
78 3.8711e-04 3.0069e-04 6.5431e-03 1.3636e-03 7.6254e+00 1.8289e+00
|
||||
79 4.1854e-04 3.2518e-04 6.3799e-03 1.2085e-03 7.5938e+00 1.8289e+00
|
||||
80 4.5223e-04 3.5158e-04 6.2066e-03 1.0736e-03 7.5627e+00 1.8289e+00
|
||||
81 4.8765e-04 3.8060e-04 6.0223e-03 9.5591e-04 7.5319e+00 1.8289e+00
|
||||
82 5.2542e-04 4.1158e-04 5.8285e-03 8.5381e-04 7.5017e+00 1.8289e+00
|
||||
83 5.6547e-04 4.4448e-04 5.6253e-03 7.6535e-04 7.4722e+00 1.8289e+00
|
||||
84 6.0773e-04 4.7922e-04 5.4134e-03 6.8877e-04 7.4435e+00 1.8289e+00
|
||||
85 6.5205e-04 5.1570e-04 5.1935e-03 6.2251e-04 7.4157e+00 1.8289e+00
|
||||
86 6.9826e-04 5.5377e-04 4.9668e-03 5.6518e-04 7.3888e+00 1.8289e+00
|
||||
87 7.4613e-04 5.9324e-04 4.7345e-03 5.1559e-04 7.3631e+00 1.8289e+00
|
||||
88 7.9538e-04 6.3387e-04 4.4979e-03 4.7268e-04 7.3385e+00 1.8289e+00
|
||||
89 8.4568e-04 6.7540e-04 4.2586e-03 4.3553e-04 7.3150e+00 1.8289e+00
|
||||
90 8.9670e-04 7.1753e-04 4.0183e-03 4.0336e-04 7.2928e+00 1.8289e+00
|
||||
91 9.4805e-04 7.5995e-04 3.7788e-03 3.7548e-04 7.2719e+00 1.8289e+00
|
||||
92 9.9935e-04 8.0234e-04 3.5416e-03 3.5130e-04 7.2522e+00 1.8289e+00
|
||||
93 1.0502e-03 8.4437e-04 3.3084e-03 3.3030e-04 7.2338e+00 1.8289e+00
|
||||
94 1.1003e-03 8.8573e-04 3.0808e-03 3.1206e-04 7.2167e+00 1.8289e+00
|
||||
95 1.1492e-03 9.2613e-04 2.8602e-03 2.9619e-04 7.2008e+00 1.8289e+00
|
||||
96 1.1966e-03 9.6531e-04 2.6478e-03 2.8237e-04 7.1861e+00 1.8289e+00
|
||||
97 1.2423e-03 1.0030e-03 2.4445e-03 2.7032e-04 7.1726e+00 1.8289e+00
|
||||
98 1.2860e-03 1.0391e-03 2.2513e-03 2.5980e-04 7.1602e+00 1.8289e+00
|
||||
99 1.3276e-03 1.0734e-03 2.0686e-03 2.5061e-04 7.1488e+00 1.8289e+00
|
||||
100 1.3669e-03 1.1058e-03 1.8968e-03 2.4257e-04 7.1384e+00 1.8289e+00
|
||||
101 1.4039e-03 1.1362e-03 1.7362e-03 2.3553e-04 7.1290e+00 1.8289e+00
|
||||
102 1.4385e-03 1.1646e-03 1.5868e-03 2.2936e-04 7.1204e+00 1.8289e+00
|
||||
103 1.4707e-03 1.1910e-03 1.4483e-03 2.2395e-04 7.1126e+00 1.8289e+00
|
||||
104 1.5005e-03 1.2155e-03 1.3205e-03 2.1920e-04 7.1056e+00 1.8289e+00
|
||||
105 1.5280e-03 1.2380e-03 1.2031e-03 2.1502e-04 7.0993e+00 1.8289e+00
|
||||
106 1.5533e-03 1.2586e-03 1.0956e-03 2.1134e-04 7.0936e+00 1.8289e+00
|
||||
107 1.5765e-03 1.2775e-03 9.9741e-04 2.0810e-04 7.0885e+00 1.8289e+00
|
||||
108 1.5977e-03 1.2947e-03 9.0805e-04 2.0525e-04 7.0839e+00 1.8289e+00
|
||||
109 1.6170e-03 1.3104e-03 8.2693e-04 2.0274e-04 7.0797e+00 1.8289e+00
|
||||
110 1.6345e-03 1.3245e-03 7.5347e-04 2.0052e-04 7.0760e+00 1.8289e+00
|
||||
111 1.6505e-03 1.3373e-03 6.8709e-04 1.9857e-04 7.0727e+00 1.8289e+00
|
||||
112 1.6648e-03 1.3488e-03 6.2722e-04 1.9684e-04 7.0698e+00 1.8289e+00
|
||||
113 1.6779e-03 1.3592e-03 5.7333e-04 1.9531e-04 7.0671e+00 1.8289e+00
|
||||
114 1.6896e-03 1.3685e-03 5.2489e-04 1.9396e-04 7.0648e+00 1.8289e+00
|
||||
115 1.7002e-03 1.3768e-03 4.8141e-04 1.9277e-04 7.0627e+00 1.8289e+00
|
||||
116 1.7097e-03 1.3843e-03 4.4244e-04 1.9172e-04 7.0608e+00 1.8289e+00
|
||||
117 1.7182e-03 1.3909e-03 4.0755e-04 1.9079e-04 7.0591e+00 1.8289e+00
|
||||
118 1.7259e-03 1.3968e-03 3.7634e-04 1.8996e-04 7.0577e+00 1.8289e+00
|
||||
119 1.7328e-03 1.4021e-03 3.4845e-04 1.8923e-04 7.0563e+00 1.8289e+00
|
||||
120 1.7390e-03 1.4068e-03 3.2355e-04 1.8859e-04 7.0552e+00 1.8289e+00
|
||||
121 1.7445e-03 1.4109e-03 3.0134e-04 1.8802e-04 7.0541e+00 1.8289e+00
|
||||
122 1.7495e-03 1.4146e-03 2.8153e-04 1.8751e-04 7.0532e+00 1.8289e+00
|
||||
123 1.7540e-03 1.4179e-03 2.6388e-04 1.8706e-04 7.0524e+00 1.8289e+00
|
||||
124 1.7580e-03 1.4207e-03 2.4816e-04 1.8667e-04 7.0516e+00 1.8289e+00
|
||||
125 1.7616e-03 1.4233e-03 2.3417e-04 1.8632e-04 7.0510e+00 1.8289e+00
|
||||
126 1.7648e-03 1.4255e-03 2.2171e-04 1.8600e-04 7.0504e+00 1.8289e+00
|
||||
127 1.7677e-03 1.4274e-03 2.1064e-04 1.8573e-04 7.0499e+00 1.8289e+00
|
||||
128 1.7703e-03 1.4292e-03 2.0079e-04 1.8549e-04 7.0494e+00 1.8289e+00
|
||||
129 1.7727e-03 1.4307e-03 1.9203e-04 1.8527e-04 7.0490e+00 1.8289e+00
|
||||
130 1.7748e-03 1.4320e-03 1.8425e-04 1.8508e-04 7.0487e+00 1.8289e+00
|
||||
131 1.7767e-03 1.4331e-03 1.7733e-04 1.8491e-04 7.0484e+00 1.8289e+00
|
||||
132 1.7784e-03 1.4341e-03 1.7119e-04 1.8476e-04 7.0481e+00 1.8289e+00
|
||||
133 1.7799e-03 1.4349e-03 1.6574e-04 1.8463e-04 7.0478e+00 1.8289e+00
|
||||
134 1.7813e-03 1.4357e-03 1.6089e-04 1.8451e-04 7.0476e+00 1.8289e+00
|
||||
135 1.7826e-03 1.4363e-03 1.5659e-04 1.8441e-04 7.0474e+00 1.8289e+00
|
||||
136 1.7838e-03 1.4368e-03 1.5277e-04 1.8432e-04 7.0473e+00 1.8289e+00
|
||||
137 1.7848e-03 1.4373e-03 1.4938e-04 1.8424e-04 7.0471e+00 1.8289e+00
|
||||
138 1.7858e-03 1.4376e-03 1.4637e-04 1.8417e-04 7.0470e+00 1.8289e+00
|
||||
139 1.7866e-03 1.4379e-03 1.4370e-04 1.8411e-04 7.0468e+00 1.8289e+00
|
||||
140 1.7874e-03 1.4382e-03 1.4133e-04 1.8405e-04 7.0467e+00 1.8289e+00
|
||||
141 1.7882e-03 1.4384e-03 1.3922e-04 1.8400e-04 7.0467e+00 1.8289e+00
|
||||
142 1.7888e-03 1.4385e-03 1.3736e-04 1.8396e-04 7.0466e+00 1.8289e+00
|
||||
143 1.7895e-03 1.4386e-03 1.3570e-04 1.8392e-04 7.0465e+00 1.8289e+00
|
||||
144 1.7900e-03 1.4387e-03 1.3423e-04 1.8389e-04 7.0464e+00 1.8289e+00
|
||||
145 1.7906e-03 1.4388e-03 1.3293e-04 1.8386e-04 7.0464e+00 1.8289e+00
|
||||
146 1.7911e-03 1.4388e-03 1.3177e-04 1.8383e-04 7.0463e+00 1.8289e+00
|
||||
147 1.7915e-03 1.4388e-03 1.3075e-04 1.8381e-04 7.0463e+00 1.8289e+00
|
||||
148 1.7920e-03 1.4387e-03 1.2983e-04 1.8379e-04 7.0462e+00 1.8289e+00
|
||||
149 1.7924e-03 1.4387e-03 1.2903e-04 1.8377e-04 7.0462e+00 1.8289e+00
|
||||
150 1.7928e-03 1.4386e-03 1.2831e-04 1.8376e-04 7.0462e+00 1.8289e+00
|
||||
151 1.7931e-03 1.4385e-03 1.2768e-04 1.8375e-04 7.0462e+00 1.8289e+00
|
||||
152 1.7935e-03 1.4384e-03 1.2711e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
153 1.7938e-03 1.4383e-03 1.2661e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
154 1.7941e-03 1.4382e-03 1.2617e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
155 1.7944e-03 1.4381e-03 1.2578e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
156 1.7947e-03 1.4380e-03 1.2543e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
157 1.7950e-03 1.4378e-03 1.2512e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
158 1.7953e-03 1.4377e-03 1.2484e-04 1.8369e-04 7.0461e+00 1.8289e+00
|
||||
159 1.7955e-03 1.4376e-03 1.2460e-04 1.8369e-04 7.0461e+00 1.8289e+00
|
||||
160 1.7958e-03 1.4374e-03 1.2438e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
161 1.7960e-03 1.4372e-03 1.2419e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
162 1.7963e-03 1.4371e-03 1.2402e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
163 1.7965e-03 1.4369e-03 1.2387e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
164 1.7967e-03 1.4368e-03 1.2374e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
165 1.7970e-03 1.4366e-03 1.2362e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
166 1.7972e-03 1.4364e-03 1.2351e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
167 1.7974e-03 1.4363e-03 1.2342e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
168 1.7976e-03 1.4361e-03 1.2334e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
169 1.7978e-03 1.4359e-03 1.2326e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
170 1.7980e-03 1.4358e-03 1.2320e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
171 1.7982e-03 1.4356e-03 1.2314e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
172 1.7984e-03 1.4354e-03 1.2309e-04 1.8368e-04 7.0460e+00 1.8289e+00
|
||||
173 1.7986e-03 1.4353e-03 1.2304e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
174 1.7988e-03 1.4351e-03 1.2300e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
175 1.7990e-03 1.4349e-03 1.2297e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
176 1.7992e-03 1.4348e-03 1.2294e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
177 1.7993e-03 1.4346e-03 1.2291e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
178 1.7995e-03 1.4344e-03 1.2288e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
179 1.7997e-03 1.4343e-03 1.2286e-04 1.8369e-04 7.0460e+00 1.8289e+00
|
||||
180 1.7999e-03 1.4341e-03 1.2284e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
181 1.8001e-03 1.4339e-03 1.2282e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
182 1.8002e-03 1.4338e-03 1.2281e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
183 1.8004e-03 1.4336e-03 1.2279e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
184 1.8006e-03 1.4335e-03 1.2278e-04 1.8370e-04 7.0461e+00 1.8289e+00
|
||||
185 1.8008e-03 1.4333e-03 1.2277e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
186 1.8009e-03 1.4331e-03 1.2276e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
187 1.8011e-03 1.4330e-03 1.2275e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
188 1.8013e-03 1.4328e-03 1.2275e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
189 1.8014e-03 1.4327e-03 1.2274e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
190 1.8016e-03 1.4325e-03 1.2273e-04 1.8371e-04 7.0461e+00 1.8289e+00
|
||||
191 1.8018e-03 1.4324e-03 1.2273e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
192 1.8019e-03 1.4322e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
193 1.8021e-03 1.4321e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
194 1.8022e-03 1.4319e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
195 1.8024e-03 1.4318e-03 1.2271e-04 1.8372e-04 7.0461e+00 1.8289e+00
|
||||
196 1.8025e-03 1.4316e-03 1.2271e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
197 1.8027e-03 1.4315e-03 1.2271e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
198 1.8028e-03 1.4313e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
199 1.8030e-03 1.4312e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
200 1.8032e-03 1.4310e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00
|
||||
1 4.6256e-01 1.6385e-01 5.4020e+00 2.5000e-02 5.7204e+00 0.0000e+00
|
||||
1 3.3952e-04 2.8361e-04 9.8901e-02 6.9283e-04 7.1612e+00 1.8508e+00
|
||||
2 2.8743e-05 2.0924e-05 2.4018e-02 7.7786e-02 8.6174e+00 1.8507e+00
|
||||
3 1.4707e-05 9.6112e-06 1.4378e-02 6.0780e-01 9.1603e+00 1.8501e+00
|
||||
4 1.2777e-05 8.0708e-06 1.2262e-02 1.0679e+00 9.3114e+00 1.8491e+00
|
||||
5 1.2370e-05 7.7447e-06 1.1473e-02 1.2573e+00 9.3550e+00 1.8478e+00
|
||||
6 1.2393e-05 7.7613e-06 1.1090e-02 1.2861e+00 9.3603e+00 1.8465e+00
|
||||
7 1.2586e-05 7.9125e-06 1.0865e-02 1.2432e+00 9.3502e+00 1.8453e+00
|
||||
8 1.2858e-05 8.1266e-06 1.0710e-02 1.1733e+00 9.3338e+00 1.8441e+00
|
||||
9 1.3173e-05 8.3742e-06 1.0588e-02 1.0961e+00 9.3147e+00 1.8430e+00
|
||||
10 1.3514e-05 8.6428e-06 1.0483e-02 1.0197e+00 9.2945e+00 1.8420e+00
|
||||
11 1.3875e-05 8.9269e-06 1.0388e-02 9.4708e-01 9.2741e+00 1.8410e+00
|
||||
12 1.4253e-05 9.2246e-06 1.0300e-02 8.7909e-01 9.2537e+00 1.8402e+00
|
||||
13 1.4647e-05 9.5351e-06 1.0217e-02 8.1586e-01 9.2333e+00 1.8393e+00
|
||||
14 1.5058e-05 9.8588e-06 1.0139e-02 7.5715e-01 9.2130e+00 1.8386e+00
|
||||
15 1.5486e-05 1.0196e-05 1.0064e-02 7.0268e-01 9.1929e+00 1.8379e+00
|
||||
16 1.5933e-05 1.0548e-05 9.9931e-03 6.5211e-01 9.1728e+00 1.8372e+00
|
||||
17 1.6399e-05 1.0915e-05 9.9253e-03 6.0514e-01 9.1528e+00 1.8366e+00
|
||||
18 1.6885e-05 1.1298e-05 9.8605e-03 5.6148e-01 9.1329e+00 1.8361e+00
|
||||
19 1.7394e-05 1.1698e-05 9.7984e-03 5.2089e-01 9.1130e+00 1.8355e+00
|
||||
20 1.7925e-05 1.2117e-05 9.7388e-03 4.8313e-01 9.0931e+00 1.8351e+00
|
||||
21 1.8482e-05 1.2555e-05 9.6816e-03 4.4798e-01 9.0733e+00 1.8346e+00
|
||||
22 1.9064e-05 1.3014e-05 9.6267e-03 4.1527e-01 9.0534e+00 1.8342e+00
|
||||
23 1.9675e-05 1.3496e-05 9.5738e-03 3.8480e-01 9.0336e+00 1.8338e+00
|
||||
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|
||||
181 1.7959e-03 1.4371e-03 1.2283e-04 1.8379e-04 7.0459e+00 1.8294e+00
|
||||
182 1.7961e-03 1.4369e-03 1.2281e-04 1.8379e-04 7.0459e+00 1.8294e+00
|
||||
183 1.7963e-03 1.4368e-03 1.2280e-04 1.8379e-04 7.0459e+00 1.8294e+00
|
||||
184 1.7964e-03 1.4366e-03 1.2278e-04 1.8380e-04 7.0459e+00 1.8294e+00
|
||||
185 1.7966e-03 1.4364e-03 1.2277e-04 1.8380e-04 7.0459e+00 1.8294e+00
|
||||
186 1.7968e-03 1.4363e-03 1.2276e-04 1.8380e-04 7.0459e+00 1.8294e+00
|
||||
187 1.7970e-03 1.4361e-03 1.2275e-04 1.8380e-04 7.0459e+00 1.8294e+00
|
||||
188 1.7971e-03 1.4359e-03 1.2275e-04 1.8380e-04 7.0459e+00 1.8294e+00
|
||||
189 1.7973e-03 1.4358e-03 1.2274e-04 1.8380e-04 7.0459e+00 1.8294e+00
|
||||
190 1.7975e-03 1.4356e-03 1.2273e-04 1.8381e-04 7.0459e+00 1.8294e+00
|
||||
191 1.7977e-03 1.4354e-03 1.2273e-04 1.8381e-04 7.0459e+00 1.8294e+00
|
||||
192 1.7978e-03 1.4353e-03 1.2272e-04 1.8381e-04 7.0459e+00 1.8294e+00
|
||||
193 1.7980e-03 1.4351e-03 1.2272e-04 1.8381e-04 7.0459e+00 1.8294e+00
|
||||
194 1.7982e-03 1.4350e-03 1.2272e-04 1.8381e-04 7.0459e+00 1.8294e+00
|
||||
195 1.7983e-03 1.4348e-03 1.2271e-04 1.8382e-04 7.0459e+00 1.8294e+00
|
||||
196 1.7985e-03 1.4347e-03 1.2271e-04 1.8382e-04 7.0459e+00 1.8294e+00
|
||||
197 1.7986e-03 1.4345e-03 1.2271e-04 1.8382e-04 7.0459e+00 1.8294e+00
|
||||
198 1.7988e-03 1.4343e-03 1.2270e-04 1.8382e-04 7.0459e+00 1.8294e+00
|
||||
199 1.7990e-03 1.4342e-03 1.2270e-04 1.8382e-04 7.0459e+00 1.8294e+00
|
||||
200 1.7991e-03 1.4340e-03 1.2270e-04 1.8383e-04 7.0459e+00 1.8294e+00
|
||||
|
||||
2
ex15.sel
2
ex15.sel
@ -4,7 +4,7 @@
|
||||
1 transp 10 9.5 7200 2 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.5000e+00 0.0000e+00 0.0000e+00 1.3544e-04
|
||||
1 transp 10 9.5 10800 3 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.5000e+00 0.0000e+00 0.0000e+00 1.3515e-04
|
||||
1 transp 10 9.5 14400 4 6 14.3937 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 4.5000e+00 0.0000e+00 0.0000e+00 1.3487e-04
|
||||
1 transp 10 9.5 18000 5 6 14.3937 4.1637e-17 4.8356e-19 8.3076e-13 2.3172e-14 5.5000e+00 6.1781e-18 1.4377e-22 1.3459e-04
|
||||
1 transp 10 9.5 18000 5 6 14.3937 4.1637e-17 4.8355e-19 8.3076e-13 2.3172e-14 5.5000e+00 6.1781e-18 1.4377e-22 1.3459e-04
|
||||
1 transp 10 9.5 21600 6 6.00019 14.3935 5.3587e-15 7.6672e-15 1.0687e-10 2.8548e-12 6.5000e+00 1.0994e-15 2.6066e-18 1.3431e-04
|
||||
1 transp 10 9.5 25200 7 6.00441 14.3893 1.1039e-13 3.4338e-12 2.1803e-09 6.2065e-11 7.5000e+00 2.2731e-14 9.7754e-16 1.3406e-04
|
||||
1 transp 10 9.5 28800 8 6.03587 14.3576 8.7248e-13 1.8088e-10 1.6028e-08 4.1366e-10 8.5000e+00 1.5703e-13 4.8045e-14 1.3399e-04
|
||||
|
||||
148
ex16.out
148
ex16.out
@ -85,7 +85,7 @@ Initial solution 1.
|
||||
Volume (L) = 1.00300
|
||||
Viscosity (mPa s) = 0.89070
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 4.855e-04
|
||||
Ionic strength (mol/kgw) = 4.856e-04
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 7.828e-04
|
||||
Total CO2 (mol/kg) = 7.828e-04
|
||||
@ -108,20 +108,20 @@ C(4) 7.828e-04
|
||||
CO2 4.542e-04 4.543e-04 -3.343 -3.343 0.000 34.43
|
||||
HCO3- 3.283e-04 3.202e-04 -3.484 -3.495 -0.011 24.57
|
||||
MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47
|
||||
CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 9.66
|
||||
NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73
|
||||
CaHCO3+ 8.919e-08 8.700e-08 -7.050 -7.060 -0.011 9.66
|
||||
NaHCO3 3.643e-08 3.644e-08 -7.439 -7.438 0.000 31.73
|
||||
CO3-2 2.629e-08 2.380e-08 -7.580 -7.623 -0.043 -3.97
|
||||
KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03
|
||||
(CO2)2 3.787e-09 3.788e-09 -8.422 -8.422 0.000 68.87
|
||||
CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60
|
||||
CaCO3 2.816e-09 2.816e-09 -8.550 -8.550 0.000 -14.60
|
||||
MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09
|
||||
Ca 7.800e-05
|
||||
Ca+2 7.780e-05 7.042e-05 -4.109 -4.152 -0.043 -18.17
|
||||
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 9.66
|
||||
CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60
|
||||
CaOH+ 1.899e-11 1.852e-11 -10.721 -10.732 -0.011 (0)
|
||||
CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0)
|
||||
Ca+2 7.782e-05 7.044e-05 -4.109 -4.152 -0.043 -18.17
|
||||
CaHCO3+ 8.919e-08 8.700e-08 -7.050 -7.060 -0.011 9.66
|
||||
CaSO4 8.745e-08 8.746e-08 -7.058 -7.058 0.000 7.22
|
||||
CaCO3 2.816e-09 2.816e-09 -8.550 -8.550 0.000 -14.60
|
||||
CaOH+ 1.900e-11 1.853e-11 -10.721 -10.732 -0.011 (0)
|
||||
CaHSO4+ 4.742e-13 4.624e-13 -12.324 -12.335 -0.011 (0)
|
||||
Cl 1.400e-05
|
||||
Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07
|
||||
HCl 2.966e-12 2.967e-12 -11.528 -11.528 0.000 (0)
|
||||
@ -130,29 +130,31 @@ H(0) 5.636e-24
|
||||
K 2.800e-05
|
||||
K+ 2.799e-05 2.730e-05 -4.553 -4.564 -0.011 9.00
|
||||
KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03
|
||||
KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13
|
||||
KSO4- 3.790e-09 3.697e-09 -8.421 -8.432 -0.011 17.92
|
||||
Mg 2.900e-05
|
||||
Mg+2 2.884e-05 2.611e-05 -4.540 -4.583 -0.043 -21.86
|
||||
MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47
|
||||
MgSO4 6.065e-08 6.066e-08 -7.217 -7.217 0.000 -7.92
|
||||
MgSO4 6.085e-08 6.086e-08 -7.216 -7.216 0.000 -0.40
|
||||
MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09
|
||||
MgOH+ 1.540e-10 1.503e-10 -9.812 -9.823 -0.011 (0)
|
||||
Mg(SO4)2-2 1.956e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
|
||||
Mg(SO4)2-2 1.969e-12 1.784e-12 -11.706 -11.749 -0.043 32.82
|
||||
Na 1.340e-04
|
||||
Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49
|
||||
NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73
|
||||
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
|
||||
Na+ 1.340e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49
|
||||
NaHCO3 3.643e-08 3.644e-08 -7.439 -7.438 0.000 31.73
|
||||
NaSO4- 1.048e-08 1.022e-08 -7.980 -7.991 -0.011 16.53
|
||||
Na2SO4 6.507e-16 6.508e-16 -15.187 -15.187 0.000 47.96
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -45.263 -45.263 0.000 30.40
|
||||
S(6) 1.000e-05
|
||||
SO4-2 9.805e-06 8.872e-06 -5.009 -5.052 -0.043 15.25
|
||||
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
MgSO4 6.065e-08 6.066e-08 -7.217 -7.217 0.000 -7.92
|
||||
NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22
|
||||
KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13
|
||||
HSO4- 5.581e-10 5.443e-10 -9.253 -9.264 -0.011 40.27
|
||||
Mg(SO4)2-2 1.956e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04
|
||||
CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0)
|
||||
SO4-2 9.837e-06 8.902e-06 -5.007 -5.051 -0.043 14.51
|
||||
CaSO4 8.745e-08 8.746e-08 -7.058 -7.058 0.000 7.22
|
||||
MgSO4 6.085e-08 6.086e-08 -7.216 -7.216 0.000 -0.40
|
||||
NaSO4- 1.048e-08 1.022e-08 -7.980 -7.991 -0.011 16.53
|
||||
KSO4- 3.790e-09 3.697e-09 -8.421 -8.432 -0.011 17.92
|
||||
HSO4- 5.600e-10 5.461e-10 -9.252 -9.263 -0.011 40.27
|
||||
Mg(SO4)2-2 1.969e-12 1.784e-12 -11.706 -11.749 -0.043 32.82
|
||||
CaHSO4+ 4.742e-13 4.624e-13 -12.324 -12.335 -0.011 (0)
|
||||
Na2SO4 6.507e-16 6.508e-16 -15.187 -15.187 0.000 47.96
|
||||
Si 2.730e-04
|
||||
H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 52.08
|
||||
H3SiO4- 6.542e-08 6.379e-08 -7.184 -7.195 -0.011 27.96
|
||||
@ -162,7 +164,7 @@ Si 2.730e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -4.93 -9.20 -4.28 CaSO4
|
||||
Anhydrite -4.89 -9.20 -4.31 CaSO4
|
||||
Aragonite -3.44 -11.78 -8.34 CaCO3
|
||||
Arcanite -12.30 -14.18 -1.88 K2SO4
|
||||
Calcite -3.30 -11.78 -8.48 CaCO3
|
||||
@ -170,22 +172,22 @@ Si 2.730e-04
|
||||
Chrysotile -15.88 16.32 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.87 -3.34 -1.47 CO2
|
||||
Dolomite -6.90 -23.98 -17.08 CaMg(CO3)2
|
||||
Epsomite -7.90 -9.64 -1.74 MgSO4:7H2O
|
||||
Gypsum -4.62 -9.20 -4.58 CaSO4:2H2O
|
||||
Epsomite -7.90 -9.63 -1.74 MgSO4:7H2O
|
||||
Gypsum -4.65 -9.20 -4.55 CaSO4:2H2O
|
||||
H2(g) -20.45 -23.55 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -10.32 -8.75 1.57 NaCl
|
||||
Hexahydrite -8.07 -9.64 -1.57 MgSO4:6H2O
|
||||
Kieserite -8.47 -9.64 -1.16 MgSO4:H2O
|
||||
Mirabilite -11.58 -12.82 -1.24 Na2SO4:10H2O
|
||||
O2(g) -42.39 -45.28 -2.89 O2
|
||||
Hexahydrite -8.07 -9.63 -1.57 MgSO4:6H2O
|
||||
Kieserite -8.47 -9.63 -1.16 MgSO4:H2O
|
||||
Mirabilite -12.11 -12.82 -0.71 Na2SO4:10H2O
|
||||
O2(g) -42.37 -45.26 -2.89 O2
|
||||
Quartz 0.42 -3.56 -3.98 SiO2
|
||||
Sepiolite -10.82 4.94 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -13.72 4.94 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -0.85 -3.56 -2.71 SiO2
|
||||
Sylvite -10.33 -9.43 0.90 KCl
|
||||
Talc -12.20 9.20 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -12.52 -12.82 -0.30 Na2SO4
|
||||
Thenardite -13.47 -12.82 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -212,7 +214,7 @@ Initial solution 2.
|
||||
Specific Conductance (µS/cm, 25°C) = 97
|
||||
Density (g/cm³) = 0.99712
|
||||
Volume (L) = 1.00301
|
||||
Viscosity (mPa s) = 0.89116
|
||||
Viscosity (mPa s) = 0.89117
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.317e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
@ -236,21 +238,21 @@ Initial solution 2.
|
||||
C(4) 1.200e-03
|
||||
HCO3- 8.924e-04 8.574e-04 -3.049 -3.067 -0.017 24.58
|
||||
CO2 3.055e-04 3.055e-04 -3.515 -3.515 0.000 34.43
|
||||
CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 9.67
|
||||
MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
|
||||
CaHCO3+ 7.579e-07 7.283e-07 -6.120 -6.138 -0.017 9.67
|
||||
MgHCO3+ 6.240e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
|
||||
CO3-2 2.978e-07 2.537e-07 -6.526 -6.596 -0.070 -3.92
|
||||
NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73
|
||||
CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60
|
||||
CaCO3 9.383e-08 9.386e-08 -7.028 -7.028 0.000 -14.60
|
||||
KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03
|
||||
MgCO3 1.446e-08 1.446e-08 -7.840 -7.840 0.000 -17.09
|
||||
MgCO3 1.445e-08 1.446e-08 -7.840 -7.840 0.000 -17.09
|
||||
(CO2)2 1.713e-09 1.713e-09 -8.766 -8.766 0.000 68.87
|
||||
Ca 2.600e-04
|
||||
Ca+2 2.584e-04 2.201e-04 -3.588 -3.657 -0.070 -18.13
|
||||
CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50
|
||||
CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 9.67
|
||||
CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60
|
||||
CaOH+ 2.400e-10 2.305e-10 -9.620 -9.637 -0.018 (0)
|
||||
CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0)
|
||||
Ca+2 2.585e-04 2.202e-04 -3.587 -3.657 -0.070 -18.13
|
||||
CaHCO3+ 7.579e-07 7.283e-07 -6.120 -6.138 -0.017 9.67
|
||||
CaSO4 6.274e-07 6.275e-07 -6.202 -6.202 0.000 7.22
|
||||
CaCO3 9.383e-08 9.386e-08 -7.028 -7.028 0.000 -14.60
|
||||
CaOH+ 2.402e-10 2.306e-10 -9.619 -9.637 -0.018 (0)
|
||||
CaHSO4+ 8.680e-13 8.334e-13 -12.061 -12.079 -0.018 (0)
|
||||
Cl 3.000e-05
|
||||
Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.08
|
||||
HCl 1.571e-12 1.573e-12 -11.804 -11.803 0.001 (0)
|
||||
@ -259,62 +261,64 @@ H(0) 3.555e-25
|
||||
K 4.000e-05
|
||||
K+ 3.998e-05 3.838e-05 -4.398 -4.416 -0.018 9.01
|
||||
KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03
|
||||
KSO4- 1.230e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
|
||||
KSO4- 1.241e-08 1.193e-08 -7.906 -7.923 -0.017 18.52
|
||||
Mg 7.101e-05
|
||||
Mg+2 7.005e-05 5.973e-05 -4.155 -4.224 -0.069 -21.81
|
||||
MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
|
||||
MgSO4 3.166e-07 3.168e-07 -6.499 -6.499 0.000 -7.92
|
||||
MgCO3 1.446e-08 1.446e-08 -7.840 -7.840 0.000 -17.09
|
||||
MgOH+ 1.424e-09 1.368e-09 -8.847 -8.864 -0.017 (0)
|
||||
Mg(SO4)2-2 2.474e-11 2.114e-11 -10.607 -10.675 -0.068 -3.35
|
||||
MgHCO3+ 6.240e-07 5.992e-07 -6.205 -6.222 -0.018 5.48
|
||||
MgSO4 3.193e-07 3.194e-07 -6.496 -6.496 0.000 -0.40
|
||||
MgCO3 1.445e-08 1.446e-08 -7.840 -7.840 0.000 -17.09
|
||||
MgOH+ 1.423e-09 1.368e-09 -8.847 -8.864 -0.017 (0)
|
||||
Mg(SO4)2-2 2.515e-11 2.149e-11 -10.599 -10.668 -0.068 34.32
|
||||
Na 2.590e-04
|
||||
Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47
|
||||
NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73
|
||||
NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40
|
||||
NaSO4- 4.645e-08 4.460e-08 -7.333 -7.351 -0.018 16.62
|
||||
Na2SO4 5.404e-15 5.405e-15 -14.267 -14.267 0.000 47.96
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -42.863 -42.863 0.000 30.40
|
||||
S(6) 2.500e-05
|
||||
SO4-2 2.380e-05 2.026e-05 -4.624 -4.693 -0.070 15.76
|
||||
CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50
|
||||
MgSO4 3.166e-07 3.168e-07 -6.499 -6.499 0.000 -7.92
|
||||
NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40
|
||||
KSO4- 1.230e-08 1.183e-08 -7.910 -7.927 -0.017 14.15
|
||||
HSO4- 3.251e-10 3.121e-10 -9.488 -9.506 -0.018 40.28
|
||||
Mg(SO4)2-2 2.474e-11 2.114e-11 -10.607 -10.675 -0.068 -3.35
|
||||
CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0)
|
||||
SO4-2 2.400e-05 2.043e-05 -4.620 -4.690 -0.070 14.54
|
||||
CaSO4 6.274e-07 6.275e-07 -6.202 -6.202 0.000 7.22
|
||||
MgSO4 3.193e-07 3.194e-07 -6.496 -6.496 0.000 -0.40
|
||||
NaSO4- 4.645e-08 4.460e-08 -7.333 -7.351 -0.018 16.62
|
||||
KSO4- 1.241e-08 1.193e-08 -7.906 -7.923 -0.017 18.52
|
||||
HSO4- 3.278e-10 3.148e-10 -9.484 -9.502 -0.018 40.28
|
||||
Mg(SO4)2-2 2.515e-11 2.149e-11 -10.599 -10.668 -0.068 34.32
|
||||
CaHSO4+ 8.680e-13 8.334e-13 -12.061 -12.079 -0.018 (0)
|
||||
Na2SO4 5.404e-15 5.405e-15 -14.267 -14.267 0.000 47.96
|
||||
Si 4.100e-04
|
||||
H4SiO4 4.096e-04 4.098e-04 -3.388 -3.387 0.000 52.08
|
||||
H3SiO4- 3.970e-07 3.812e-07 -6.401 -6.419 -0.018 27.98
|
||||
H3SiO4- 3.971e-07 3.812e-07 -6.401 -6.419 -0.018 27.98
|
||||
H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.070 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -4.07 -8.35 -4.28 CaSO4
|
||||
Anhydrite -4.03 -8.35 -4.31 CaSO4
|
||||
Aragonite -1.92 -10.25 -8.34 CaCO3
|
||||
Arcanite -11.65 -13.53 -1.88 K2SO4
|
||||
Arcanite -11.64 -13.52 -1.88 K2SO4
|
||||
Calcite -1.77 -10.25 -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 -3.51 -1.47 CO2
|
||||
Dolomite -3.99 -21.07 -17.08 CaMg(CO3)2
|
||||
Epsomite -7.18 -8.92 -1.74 MgSO4:7H2O
|
||||
Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O
|
||||
Epsomite -7.18 -8.91 -1.74 MgSO4:7H2O
|
||||
Gypsum -3.80 -8.35 -4.55 CaSO4:2H2O
|
||||
H2(g) -21.65 -24.75 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -9.72 -8.15 1.57 NaCl
|
||||
Hexahydrite -7.35 -8.92 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.76 -8.92 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.66 -11.90 -1.24 Na2SO4:10H2O
|
||||
O2(g) -39.99 -42.88 -2.89 O2
|
||||
Hexahydrite -7.35 -8.91 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.75 -8.91 -1.16 MgSO4:H2O
|
||||
Mirabilite -11.19 -11.90 -0.71 Na2SO4:10H2O
|
||||
O2(g) -39.97 -42.86 -2.89 O2
|
||||
Quartz 0.59 -3.39 -3.98 SiO2
|
||||
Sepiolite -7.17 8.59 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -10.07 8.59 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -0.68 -3.39 -2.71 SiO2
|
||||
Sylvite -9.86 -8.96 0.90 KCl
|
||||
Talc -6.82 14.58 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -11.60 -11.90 -0.30 Na2SO4
|
||||
Thenardite -12.55 -11.90 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -369,7 +373,7 @@ Solution fractions: Minimum Maximum
|
||||
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm)
|
||||
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72)
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.65, -3.80)
|
||||
Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4 ( , )
|
||||
Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH ( , )
|
||||
CO2(g) 3.009e-04 2.365e-04 3.659e-04 CO2 ( -1.87, -2.05)
|
||||
@ -431,7 +435,7 @@ Solution fractions: Minimum Maximum
|
||||
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 298 K, 1 atm)
|
||||
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72)
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77)
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.65, -3.80)
|
||||
Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4 ( , )
|
||||
CO2(g) 3.143e-04 2.493e-04 3.798e-04 CO2 ( -1.87, -2.05)
|
||||
Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.77)
|
||||
|
||||
18
ex17b.out
18
ex17b.out
@ -3100,7 +3100,7 @@ Gypsum 0.00 -4.60 -4.60 1.033e-03 1.058e-03 2.566e-05
|
||||
Halite 0.00 1.58 1.58 2.218e-01 2.253e-01 3.499e-03
|
||||
Hexahydrite -0.49 -2.06 -1.57 0.000e+00 0 0.000e+00
|
||||
Kieserite -0.95 -1.21 -0.27 0.000e+00 0 0.000e+00
|
||||
Polyhalite 0.00 -13.74 -13.74 7.008e-04 9.425e-04 2.417e-04
|
||||
Polyhalite -0.00 -13.74 -13.74 7.008e-04 9.425e-04 2.417e-04
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -3212,7 +3212,7 @@ S(6) 4.989e-01
|
||||
Nesquehonite -0.53 -5.70 -5.17 MgCO3:3H2O
|
||||
Pentahydrite -0.61 -1.89 -1.28 MgSO4:5H2O
|
||||
Pirssonite -4.75 -13.98 -9.23 Na2Ca(CO3)2:2H2O
|
||||
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
|
||||
Schoenite -1.57 -5.90 -4.33 K2Mg(SO4)2:6H2O
|
||||
Sylvite -0.69 0.21 0.90 KCl
|
||||
@ -3259,7 +3259,7 @@ Gypsum 0.00 -4.60 -4.60 1.058e-03 1.112e-03 5.332e-05
|
||||
Halite 0.00 1.58 1.58 2.253e-01 2.288e-01 3.484e-03
|
||||
Hexahydrite -0.45 -2.01 -1.57 0.000e+00 0 0.000e+00
|
||||
Kieserite -0.88 -1.15 -0.27 0.000e+00 0 0.000e+00
|
||||
Polyhalite 0.00 -13.74 -13.74 9.425e-04 1.172e-03 2.296e-04
|
||||
Polyhalite -0.00 -13.74 -13.74 9.425e-04 1.172e-03 2.296e-04
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
@ -3371,7 +3371,7 @@ S(6) 5.286e-01
|
||||
Nesquehonite -0.48 -5.65 -5.17 MgCO3:3H2O
|
||||
Pentahydrite -0.56 -1.84 -1.28 MgSO4:5H2O
|
||||
Pirssonite -4.76 -14.00 -9.23 Na2Ca(CO3)2:2H2O
|
||||
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
|
||||
Portlandite -9.73 -14.92 -5.19 Ca(OH)2
|
||||
Schoenite -1.60 -5.93 -4.33 K2Mg(SO4)2:6H2O
|
||||
Sylvite -0.73 0.17 0.90 KCl
|
||||
@ -3413,7 +3413,7 @@ CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 4.567e-07
|
||||
Calcite 0.00 -8.41 -8.41 2.942e-04 2.856e-04 -8.634e-06
|
||||
Carnallite -1.98 2.44 4.42 0.000e+00 0 0.000e+00
|
||||
Epsomite -0.29 -2.14 -1.85 0.000e+00 0 0.000e+00
|
||||
Glauberite -0.00 -5.35 -5.35 2.040e-03 1.544e-03 -4.957e-04
|
||||
Glauberite 0.00 -5.35 -5.35 2.040e-03 1.544e-03 -4.957e-04
|
||||
Gypsum -0.00 -4.60 -4.60 1.112e-03 0 -1.112e-03
|
||||
Halite 0.00 1.58 1.58 2.288e-01 2.321e-01 3.235e-03
|
||||
Hexahydrite -0.40 -1.96 -1.57 0.000e+00 0 0.000e+00
|
||||
@ -3449,7 +3449,7 @@ Polyhalite 0.00 -13.74 -13.74 1.172e-03 1.369e-03 1.969e-04
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.359e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.60
|
||||
Iterations = 11
|
||||
Iterations = 12
|
||||
Gamma iterations = 4
|
||||
Osmotic coefficient = 1.89560
|
||||
Density of water = 0.99704
|
||||
@ -3507,7 +3507,7 @@ S(6) 5.653e-01
|
||||
Epsomite -0.29 -2.14 -1.85 MgSO4:7H2O
|
||||
Gaylussite -5.12 -14.54 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -2.72 -6.52 -3.80 NaK3(SO4)2
|
||||
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
|
||||
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
|
||||
Goergeyite 3.95 -25.42 -29.37 K2Ca5(SO4)6H2O
|
||||
Gypsum -0.00 -4.60 -4.60 CaSO4:2H2O
|
||||
H2O(g) -1.68 -0.18 1.50 H2O
|
||||
@ -3572,7 +3572,7 @@ CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 6.284e-07
|
||||
Calcite 0.00 -8.41 -8.41 2.856e-04 2.716e-04 -1.398e-05
|
||||
Carnallite -1.96 2.46 4.42 0.000e+00 0 0.000e+00
|
||||
Epsomite -0.23 -2.08 -1.85 0.000e+00 0 0.000e+00
|
||||
Glauberite -0.00 -5.35 -5.35 1.544e-03 9.450e-04 -5.993e-04
|
||||
Glauberite 0.00 -5.35 -5.35 1.544e-03 9.450e-04 -5.993e-04
|
||||
Gypsum -0.01 -4.61 -4.60 0.000e+00 0 0.000e+00
|
||||
Halite 0.00 1.58 1.58 2.321e-01 2.356e-01 3.547e-03
|
||||
Hexahydrite -0.33 -1.90 -1.57 0.000e+00 0 0.000e+00
|
||||
@ -3666,7 +3666,7 @@ S(6) 6.200e-01
|
||||
Epsomite -0.23 -2.08 -1.85 MgSO4:7H2O
|
||||
Gaylussite -5.14 -14.56 -9.42 CaNa2(CO3)2:5H2O
|
||||
Glaserite -2.84 -6.65 -3.80 NaK3(SO4)2
|
||||
Glauberite -0.00 -5.35 -5.35 Na2Ca(SO4)2
|
||||
Glauberite 0.00 -5.35 -5.35 Na2Ca(SO4)2
|
||||
Goergeyite 3.87 -25.50 -29.37 K2Ca5(SO4)6H2O
|
||||
Gypsum -0.01 -4.61 -4.60 CaSO4:2H2O
|
||||
H2O(g) -1.68 -0.18 1.50 H2O
|
||||
|
||||
414
ex18.out
414
ex18.out
@ -119,17 +119,17 @@ Initial solution 1. Recharge number 3
|
||||
|
||||
pH = 7.550
|
||||
pe = 0.000
|
||||
Specific Conductance (µS/cm, 10°C) = 278
|
||||
Specific Conductance (µS/cm, 10°C) = 279
|
||||
Density (g/cm³) = 0.99999
|
||||
Volume (L) = 1.00035
|
||||
Viscosity (mPa s) = 1.31401
|
||||
Viscosity (mPa s) = 1.31413
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 6.588e-03
|
||||
Ionic strength (mol/kgw) = 6.609e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 4.014e-03
|
||||
Total CO2 (mol/kg) = 4.300e-03
|
||||
Temperature (°C) = 9.90
|
||||
Electrical balance (eq) = 1.077e-04
|
||||
Electrical balance (eq) = 1.076e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25
|
||||
Iterations = 8
|
||||
Total H = 1.110164e+02
|
||||
@ -141,97 +141,99 @@ Initial solution 1. Recharge number 3
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.126e-07 1.034e-07 -6.948 -6.985 -0.037 -4.98
|
||||
H+ 3.038e-08 2.818e-08 -7.517 -7.550 -0.033 0.00
|
||||
H+ 3.039e-08 2.818e-08 -7.517 -7.550 -0.033 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.02
|
||||
C(4) 4.300e-03
|
||||
HCO3- 3.951e-03 3.642e-03 -2.403 -2.439 -0.035 22.89
|
||||
HCO3- 3.951e-03 3.641e-03 -2.403 -2.439 -0.035 22.89
|
||||
CO2 2.987e-04 2.990e-04 -3.525 -3.524 0.000 33.66
|
||||
MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93
|
||||
CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 8.96
|
||||
CO3-2 5.802e-06 4.190e-06 -5.236 -5.378 -0.141 -6.10
|
||||
CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66
|
||||
MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07
|
||||
FeHCO3+ 2.093e-07 1.925e-07 -6.679 -6.716 -0.036 (0)
|
||||
FeCO3 5.305e-08 5.313e-08 -7.275 -7.275 0.001 (0)
|
||||
NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86
|
||||
KHCO3 2.302e-08 2.303e-08 -7.638 -7.638 0.000 40.92
|
||||
(CO2)2 9.509e-10 9.523e-10 -9.022 -9.021 0.001 67.31
|
||||
MgHCO3+ 3.105e-05 2.854e-05 -4.508 -4.545 -0.037 4.93
|
||||
CaHCO3+ 6.435e-06 5.938e-06 -5.191 -5.226 -0.035 8.96
|
||||
CO3-2 5.804e-06 4.189e-06 -5.236 -5.378 -0.142 -6.10
|
||||
CaCO3 4.869e-06 4.876e-06 -5.313 -5.312 0.001 -14.66
|
||||
MgCO3 2.211e-06 2.215e-06 -5.655 -5.655 0.001 -17.07
|
||||
FeHCO3+ 2.092e-07 1.924e-07 -6.679 -6.716 -0.036 (0)
|
||||
FeCO3 5.301e-08 5.309e-08 -7.276 -7.275 0.001 (0)
|
||||
NaHCO3 3.695e-08 3.706e-08 -7.432 -7.431 0.001 31.86
|
||||
KHCO3 2.302e-08 2.302e-08 -7.638 -7.638 0.000 40.92
|
||||
(CO2)2 9.507e-10 9.521e-10 -9.022 -9.021 0.001 67.31
|
||||
Ca 1.200e-03
|
||||
Ca+2 1.176e-03 8.486e-04 -2.930 -3.071 -0.142 -18.31
|
||||
CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78
|
||||
CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 8.96
|
||||
CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66
|
||||
CaOH+ 5.433e-09 4.996e-09 -8.265 -8.301 -0.036 (0)
|
||||
CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0)
|
||||
Ca+2 1.181e-03 8.523e-04 -2.928 -3.069 -0.142 -18.31
|
||||
CaSO4 7.198e-06 7.203e-06 -5.143 -5.143 0.000 5.22
|
||||
CaHCO3+ 6.435e-06 5.938e-06 -5.191 -5.226 -0.035 8.96
|
||||
CaCO3 4.869e-06 4.876e-06 -5.313 -5.312 0.001 -14.66
|
||||
CaOH+ 5.457e-09 5.018e-09 -8.263 -8.299 -0.036 (0)
|
||||
CaHSO4+ 2.265e-12 2.082e-12 -11.645 -11.681 -0.036 (0)
|
||||
Cl 2.000e-05
|
||||
Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 17.40
|
||||
FeCl+ 1.458e-11 1.341e-11 -10.836 -10.873 -0.036 (0)
|
||||
HCl 1.947e-13 1.960e-13 -12.711 -12.708 0.003 (0)
|
||||
Cl- 2.000e-05 1.837e-05 -4.699 -4.736 -0.037 17.40
|
||||
FeCl+ 1.457e-11 1.340e-11 -10.836 -10.873 -0.036 (0)
|
||||
HCl 1.947e-13 1.959e-13 -12.711 -12.708 0.003 (0)
|
||||
Fe(2) 1.000e-06
|
||||
Fe+2 7.288e-07 5.286e-07 -6.137 -6.277 -0.139 -23.19
|
||||
FeHCO3+ 2.093e-07 1.925e-07 -6.679 -6.716 -0.036 (0)
|
||||
FeCO3 5.305e-08 5.313e-08 -7.275 -7.275 0.001 (0)
|
||||
FeSO4 6.814e-09 6.824e-09 -8.167 -8.166 0.001 39.09
|
||||
FeOH+ 1.962e-09 1.807e-09 -8.707 -8.743 -0.036 (0)
|
||||
FeCl+ 1.458e-11 1.341e-11 -10.836 -10.873 -0.036 (0)
|
||||
Fe(OH)2 1.366e-13 1.368e-13 -12.865 -12.864 0.001 (0)
|
||||
FeHSO4+ 1.352e-15 1.243e-15 -14.869 -14.906 -0.036 (0)
|
||||
Fe(OH)3- 1.674e-16 1.542e-16 -15.776 -15.812 -0.036 (0)
|
||||
Fe+2 7.287e-07 5.283e-07 -6.137 -6.277 -0.140 -23.19
|
||||
FeHCO3+ 2.092e-07 1.924e-07 -6.679 -6.716 -0.036 (0)
|
||||
FeCO3 5.301e-08 5.309e-08 -7.276 -7.275 0.001 (0)
|
||||
FeSO4 7.076e-09 7.087e-09 -8.150 -8.150 0.001 28.98
|
||||
FeOH+ 1.961e-09 1.806e-09 -8.708 -8.743 -0.036 (0)
|
||||
FeCl+ 1.457e-11 1.340e-11 -10.836 -10.873 -0.036 (0)
|
||||
Fe(OH)2 1.365e-13 1.367e-13 -12.865 -12.864 0.001 (0)
|
||||
FeHSO4+ 1.404e-15 1.291e-15 -14.853 -14.889 -0.036 (0)
|
||||
Fe(OH)3- 1.674e-16 1.541e-16 -15.776 -15.812 -0.036 (0)
|
||||
H(0) 1.316e-18
|
||||
H2 6.578e-19 6.588e-19 -18.182 -18.181 0.001 28.63
|
||||
K 2.000e-05
|
||||
K+ 1.995e-05 1.832e-05 -4.700 -4.737 -0.037 8.43
|
||||
KSO4- 2.822e-08 2.609e-08 -7.549 -7.584 -0.034 12.38
|
||||
KHCO3 2.302e-08 2.303e-08 -7.638 -7.638 0.000 40.92
|
||||
KSO4- 2.932e-08 2.710e-08 -7.533 -7.567 -0.034 20.63
|
||||
KHCO3 2.302e-08 2.302e-08 -7.638 -7.638 0.000 40.92
|
||||
Mg 1.010e-03
|
||||
Mg+2 9.647e-04 6.992e-04 -3.016 -3.155 -0.140 -21.10
|
||||
MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93
|
||||
MgSO4 1.198e-05 1.202e-05 -4.921 -4.920 0.001 -14.55
|
||||
MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07
|
||||
MgOH+ 2.319e-08 2.142e-08 -7.635 -7.669 -0.034 (0)
|
||||
Mg(SO4)2-2 7.075e-09 5.172e-09 -8.150 -8.286 -0.136 1.55
|
||||
Mg+2 9.643e-04 6.986e-04 -3.016 -3.156 -0.140 -21.10
|
||||
MgHCO3+ 3.105e-05 2.854e-05 -4.508 -4.545 -0.037 4.93
|
||||
MgSO4 1.244e-05 1.248e-05 -4.905 -4.904 0.001 -2.04
|
||||
MgCO3 2.211e-06 2.215e-06 -5.655 -5.655 0.001 -17.07
|
||||
MgOH+ 2.317e-08 2.140e-08 -7.635 -7.670 -0.035 (0)
|
||||
Mg(SO4)2-2 7.635e-09 5.579e-09 -8.117 -8.253 -0.136 31.78
|
||||
Na 2.000e-05
|
||||
Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42
|
||||
NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86
|
||||
NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96
|
||||
Na+ 1.995e-05 1.836e-05 -4.700 -4.736 -0.036 -2.42
|
||||
NaHCO3 3.695e-08 3.706e-08 -7.432 -7.431 0.001 31.86
|
||||
NaSO4- 1.495e-08 1.375e-08 -7.825 -7.862 -0.036 16.07
|
||||
Na2SO4 2.464e-17 2.467e-17 -16.608 -16.608 0.001 57.39
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94
|
||||
O2 0.000e+00 0.000e+00 -61.300 -61.299 0.001 28.94
|
||||
S(6) 1.600e-04
|
||||
SO4-2 1.350e-04 9.710e-05 -3.870 -4.013 -0.143 14.49
|
||||
CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78
|
||||
MgSO4 1.198e-05 1.202e-05 -4.921 -4.920 0.001 -14.55
|
||||
KSO4- 2.822e-08 2.609e-08 -7.549 -7.584 -0.034 12.38
|
||||
NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96
|
||||
Mg(SO4)2-2 7.075e-09 5.172e-09 -8.150 -8.286 -0.136 1.55
|
||||
FeSO4 6.814e-09 6.824e-09 -8.167 -8.166 0.001 39.09
|
||||
HSO4- 2.127e-10 1.956e-10 -9.672 -9.709 -0.036 38.92
|
||||
CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0)
|
||||
FeHSO4+ 1.352e-15 1.243e-15 -14.869 -14.906 -0.036 (0)
|
||||
SO4-2 1.403e-04 1.009e-04 -3.853 -3.996 -0.143 11.58
|
||||
MgSO4 1.244e-05 1.248e-05 -4.905 -4.904 0.001 -2.04
|
||||
CaSO4 7.198e-06 7.203e-06 -5.143 -5.143 0.000 5.22
|
||||
KSO4- 2.932e-08 2.710e-08 -7.533 -7.567 -0.034 20.63
|
||||
NaSO4- 1.495e-08 1.375e-08 -7.825 -7.862 -0.036 16.07
|
||||
Mg(SO4)2-2 7.635e-09 5.579e-09 -8.117 -8.253 -0.136 31.78
|
||||
FeSO4 7.076e-09 7.087e-09 -8.150 -8.150 0.001 28.98
|
||||
HSO4- 2.210e-10 2.032e-10 -9.656 -9.692 -0.036 38.92
|
||||
CaHSO4+ 2.265e-12 2.082e-12 -11.645 -11.681 -0.036 (0)
|
||||
FeHSO4+ 1.404e-15 1.291e-15 -14.853 -14.889 -0.036 (0)
|
||||
Na2SO4 2.464e-17 2.467e-17 -16.608 -16.608 0.001 57.39
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(283 K, 1 atm)
|
||||
|
||||
Anhydrite -2.96 -7.08 -4.12 CaSO4
|
||||
Anhydrite -2.98 -7.07 -4.08 CaSO4
|
||||
Aragonite -0.19 -8.45 -8.25 CaCO3
|
||||
Arcanite -11.38 -13.49 -2.11 K2SO4
|
||||
Calcite -0.05 -8.45 -8.40 CaCO3
|
||||
Arcanite -11.36 -13.47 -2.11 K2SO4
|
||||
Calcite -0.04 -8.45 -8.40 CaCO3
|
||||
CH2O -33.72 -33.72 0.00 CH2O
|
||||
CO2(g) -2.26 -3.52 -1.27 CO2
|
||||
Dolomite -0.10 -16.98 -16.88 CaMg(CO3)2
|
||||
Epsomite -5.34 -7.17 -1.83 MgSO4:7H2O
|
||||
Gypsum -2.49 -7.08 -4.60 CaSO4:2H2O
|
||||
Epsomite -5.32 -7.15 -1.83 MgSO4:7H2O
|
||||
Gypsum -2.55 -7.07 -4.51 CaSO4:2H2O
|
||||
H2(g) -15.13 -18.18 -3.05 H2
|
||||
H2O(g) -1.91 -0.00 1.91 H2O
|
||||
Halite -11.03 -9.47 1.56 NaCl
|
||||
Hexahydrite -5.58 -7.17 -1.59 MgSO4:6H2O
|
||||
Kieserite -5.85 -7.17 -1.32 MgSO4:H2O
|
||||
Melanterite -7.88 -10.29 -2.41 FeSO4:7H2O
|
||||
Mirabilite -11.51 -13.49 -1.97 Na2SO4:10H2O
|
||||
O2(g) -58.39 -61.15 -2.76 O2
|
||||
Hexahydrite -5.56 -7.15 -1.59 MgSO4:6H2O
|
||||
Kieserite -5.84 -7.15 -1.32 MgSO4:H2O
|
||||
Melanterite -7.86 -10.27 -2.41 FeSO4:7H2O
|
||||
Mirabilite -11.70 -13.47 -1.76 Na2SO4:10H2O
|
||||
O2(g) -58.53 -61.30 -2.76 O2
|
||||
Siderite -0.86 -11.65 -10.79 FeCO3
|
||||
Sylvite -9.47 -9.47 0.00 KCl
|
||||
Thenardite -13.26 -13.49 -0.23 Na2SO4
|
||||
Thenardite -14.31 -13.47 0.84 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -256,139 +258,141 @@ Initial solution 2. Mysse
|
||||
|
||||
pH = 6.610
|
||||
pe = 0.000
|
||||
Specific Conductance (µS/cm, 63°C) = 10503
|
||||
Specific Conductance (µS/cm, 63°C) = 9671
|
||||
Density (g/cm³) = 0.98523
|
||||
Volume (L) = 1.01939
|
||||
Viscosity (mPa s) = 0.45647
|
||||
Viscosity (mPa s) = 0.45732
|
||||
Activity of water = 0.999
|
||||
Ionic strength (mol/kgw) = 7.101e-02
|
||||
Ionic strength (mol/kgw) = 6.608e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 5.294e-03
|
||||
Total alkalinity (eq/kg) = 5.270e-03
|
||||
Total CO2 (mol/kg) = 6.870e-03
|
||||
Temperature (°C) = 63.00
|
||||
Electrical balance (eq) = 3.207e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.22
|
||||
Electrical balance (eq) = 3.231e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.41
|
||||
Iterations = 8 (16 overall)
|
||||
Total H = 1.110179e+02
|
||||
Total O = 5.560452e+01
|
||||
Total O = 5.560450e+01
|
||||
|
||||
---------------------------------Redox couples---------------------------------
|
||||
|
||||
Redox couple pe Eh (volts)
|
||||
|
||||
S(-2)/S(6) -3.6540 -0.2437
|
||||
S(-2)/S(6) -3.6569 -0.2439
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 5.957e-07 4.608e-07 -6.225 -6.337 -0.112 -3.63
|
||||
H+ 2.959e-07 2.455e-07 -6.529 -6.610 -0.081 0.00
|
||||
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35
|
||||
OH- 5.916e-07 4.608e-07 -6.228 -6.337 -0.109 -3.65
|
||||
H+ 2.948e-07 2.455e-07 -6.530 -6.610 -0.080 0.00
|
||||
H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 18.35
|
||||
C(4) 6.870e-03
|
||||
HCO3- 4.575e-03 3.644e-03 -2.340 -2.438 -0.099 25.86
|
||||
CO2 1.746e-03 1.765e-03 -2.758 -2.753 0.005 36.36
|
||||
CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 10.66
|
||||
NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20
|
||||
MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10
|
||||
CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51
|
||||
KHCO3 5.096e-06 5.104e-06 -5.293 -5.292 0.001 41.50
|
||||
CO3-2 2.687e-06 1.082e-06 -5.571 -5.966 -0.395 -2.58
|
||||
MgCO3 1.511e-06 1.536e-06 -5.821 -5.814 0.007 -17.09
|
||||
(CO2)2 1.545e-07 1.571e-07 -6.811 -6.804 0.007 72.72
|
||||
FeHCO3+ 1.153e-08 9.078e-09 -7.938 -8.042 -0.104 (0)
|
||||
FeCO3 6.358e-10 6.462e-10 -9.197 -9.190 0.007 (0)
|
||||
HCO3- 4.600e-03 3.684e-03 -2.337 -2.434 -0.096 25.84
|
||||
CO2 1.766e-03 1.784e-03 -2.753 -2.749 0.004 36.36
|
||||
CaHCO3+ 2.235e-04 1.803e-04 -3.651 -3.744 -0.093 10.65
|
||||
NaHCO3 1.936e-04 1.996e-04 -3.713 -3.700 0.013 31.20
|
||||
MgHCO3+ 6.338e-05 4.976e-05 -4.198 -4.303 -0.105 6.10
|
||||
CaCO3 1.343e-05 1.364e-05 -4.872 -4.865 0.007 -14.51
|
||||
KHCO3 5.205e-06 5.213e-06 -5.284 -5.283 0.001 41.50
|
||||
CO3-2 2.657e-06 1.093e-06 -5.576 -5.961 -0.386 -2.63
|
||||
MgCO3 1.583e-06 1.608e-06 -5.800 -5.794 0.007 -17.09
|
||||
(CO2)2 1.581e-07 1.605e-07 -6.801 -6.794 0.007 72.72
|
||||
FeHCO3+ 1.161e-08 9.189e-09 -7.935 -8.037 -0.101 (0)
|
||||
FeCO3 6.443e-10 6.541e-10 -9.191 -9.184 0.007 (0)
|
||||
Ca 1.128e-02
|
||||
Ca+2 7.821e-03 3.163e-03 -2.107 -2.500 -0.393 -17.58
|
||||
CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42
|
||||
CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 10.66
|
||||
CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51
|
||||
CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0)
|
||||
CaOH+ 2.712e-09 2.135e-09 -8.567 -8.671 -0.104 (0)
|
||||
Ca+2 6.137e-03 2.535e-03 -2.212 -2.596 -0.384 -17.60
|
||||
CaSO4 4.906e-03 4.939e-03 -2.309 -2.306 0.003 9.78
|
||||
CaHCO3+ 2.235e-04 1.803e-04 -3.651 -3.744 -0.093 10.65
|
||||
CaCO3 1.343e-05 1.364e-05 -4.872 -4.865 0.007 -14.51
|
||||
CaHSO4+ 9.914e-09 7.848e-09 -8.004 -8.105 -0.101 (0)
|
||||
CaOH+ 2.162e-09 1.711e-09 -8.665 -8.767 -0.101 (0)
|
||||
Cl 1.785e-02
|
||||
Cl- 1.785e-02 1.388e-02 -1.748 -1.858 -0.109 18.29
|
||||
HCl 8.646e-10 9.269e-10 -9.063 -9.033 0.030 (0)
|
||||
FeCl+ 6.061e-10 4.771e-10 -9.217 -9.321 -0.104 (0)
|
||||
Cl- 1.785e-02 1.397e-02 -1.748 -1.855 -0.106 18.28
|
||||
HCl 8.746e-10 9.331e-10 -9.058 -9.030 0.028 (0)
|
||||
FeCl+ 6.075e-10 4.809e-10 -9.216 -9.318 -0.101 (0)
|
||||
Fe(2) 4.000e-07
|
||||
Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0)
|
||||
Fe+2 5.995e-08 2.491e-08 -7.222 -7.604 -0.381 -19.95
|
||||
FeSO4 3.586e-08 3.645e-08 -7.445 -7.438 0.007 -6.81
|
||||
FeHCO3+ 1.153e-08 9.078e-09 -7.938 -8.042 -0.104 (0)
|
||||
Fe(HS)3- 4.609e-09 3.629e-09 -8.336 -8.440 -0.104 (0)
|
||||
FeCO3 6.358e-10 6.462e-10 -9.197 -9.190 0.007 (0)
|
||||
FeCl+ 6.061e-10 4.771e-10 -9.217 -9.321 -0.104 (0)
|
||||
FeOH+ 5.020e-10 3.976e-10 -9.299 -9.401 -0.101 (0)
|
||||
Fe(OH)2 2.540e-13 2.582e-13 -12.595 -12.588 0.007 (0)
|
||||
FeHSO4+ 1.030e-13 8.105e-14 -12.987 -13.091 -0.104 (0)
|
||||
Fe(OH)3- 6.860e-17 5.434e-17 -16.164 -16.265 -0.101 (0)
|
||||
H(0) 1.219e-09
|
||||
H2 6.097e-10 6.197e-10 -9.215 -9.208 0.007 28.58
|
||||
Fe(HS)2 2.890e-07 2.934e-07 -6.539 -6.533 0.007 (0)
|
||||
Fe+2 5.880e-08 2.494e-08 -7.231 -7.603 -0.373 -19.97
|
||||
FeSO4 3.420e-08 3.473e-08 -7.466 -7.459 0.007 32.00
|
||||
FeHCO3+ 1.161e-08 9.189e-09 -7.935 -8.037 -0.101 (0)
|
||||
Fe(HS)3- 4.637e-09 3.671e-09 -8.334 -8.435 -0.101 (0)
|
||||
FeCO3 6.443e-10 6.541e-10 -9.191 -9.184 0.007 (0)
|
||||
FeCl+ 6.075e-10 4.809e-10 -9.216 -9.318 -0.101 (0)
|
||||
FeOH+ 4.998e-10 3.981e-10 -9.301 -9.400 -0.099 (0)
|
||||
Fe(OH)2 2.546e-13 2.586e-13 -12.594 -12.587 0.007 (0)
|
||||
FeHSO4+ 9.755e-14 7.722e-14 -13.011 -13.112 -0.101 (0)
|
||||
Fe(OH)3- 6.830e-17 5.441e-17 -16.166 -16.264 -0.099 (0)
|
||||
H(0) 1.237e-09
|
||||
H2 6.185e-10 6.280e-10 -9.209 -9.202 0.007 28.58
|
||||
K 2.540e-03
|
||||
K+ 2.339e-03 1.814e-03 -2.631 -2.741 -0.110 10.01
|
||||
KSO4- 1.955e-04 1.606e-04 -3.709 -3.794 -0.085 15.45
|
||||
KHCO3 5.096e-06 5.104e-06 -5.293 -5.292 0.001 41.50
|
||||
K+ 2.347e-03 1.833e-03 -2.629 -2.737 -0.108 10.00
|
||||
KSO4- 1.873e-04 1.544e-04 -3.727 -3.811 -0.084 22.74
|
||||
KHCO3 5.205e-06 5.213e-06 -5.284 -5.283 0.001 41.50
|
||||
Mg 4.540e-03
|
||||
MgSO4 2.446e-03 2.528e-03 -2.611 -2.597 0.014 -0.04
|
||||
Mg+2 1.985e-03 8.301e-04 -2.702 -3.081 -0.379 -22.49
|
||||
MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10
|
||||
Mg(SO4)2-2 4.585e-05 2.015e-05 -4.339 -4.696 -0.357 26.88
|
||||
MgCO3 1.511e-06 1.536e-06 -5.821 -5.814 0.007 -17.09
|
||||
MgOH+ 3.184e-07 2.572e-07 -6.497 -6.590 -0.093 (0)
|
||||
MgSO4 2.416e-03 2.491e-03 -2.617 -2.604 0.013 1.75
|
||||
Mg+2 2.016e-03 8.597e-04 -2.695 -3.066 -0.370 -22.51
|
||||
MgHCO3+ 6.338e-05 4.976e-05 -4.198 -4.303 -0.105 6.10
|
||||
Mg(SO4)2-2 4.224e-05 1.890e-05 -4.374 -4.724 -0.349 53.84
|
||||
MgCO3 1.583e-06 1.608e-06 -5.800 -5.794 0.007 -17.09
|
||||
MgOH+ 3.281e-07 2.664e-07 -6.484 -6.575 -0.091 (0)
|
||||
Na 3.189e-02
|
||||
Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09
|
||||
NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67
|
||||
NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20
|
||||
Na+ 2.999e-02 2.387e-02 -1.523 -1.622 -0.099 0.08
|
||||
NaSO4- 1.704e-03 1.349e-03 -2.768 -2.870 -0.101 17.70
|
||||
NaHCO3 1.936e-04 1.996e-04 -3.713 -3.700 0.013 31.20
|
||||
Na2SO4 4.053e-07 4.108e-07 -6.392 -6.386 0.006 35.74
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.096 -63.088 0.007 32.51
|
||||
O2 0.000e+00 0.000e+00 -62.995 -62.989 0.007 32.51
|
||||
S(-2) 2.600e-04
|
||||
HS- 1.480e-04 1.145e-04 -3.830 -3.941 -0.112 21.38
|
||||
H2S 1.114e-04 1.132e-04 -3.953 -3.946 0.007 42.59
|
||||
Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0)
|
||||
Fe(HS)3- 4.609e-09 3.629e-09 -8.336 -8.440 -0.104 (0)
|
||||
S-2 1.440e-09 5.668e-10 -8.842 -9.247 -0.405 (0)
|
||||
(H2S)2 1.351e-09 1.373e-09 -8.869 -8.862 0.007 27.88
|
||||
HS- 1.475e-04 1.149e-04 -3.831 -3.940 -0.109 21.36
|
||||
H2S 1.119e-04 1.136e-04 -3.951 -3.945 0.007 42.59
|
||||
Fe(HS)2 2.890e-07 2.934e-07 -6.539 -6.533 0.007 (0)
|
||||
Fe(HS)3- 4.637e-09 3.671e-09 -8.334 -8.435 -0.101 (0)
|
||||
S-2 1.412e-09 5.687e-10 -8.850 -9.245 -0.395 (0)
|
||||
(H2S)2 1.362e-09 1.383e-09 -8.866 -8.859 0.007 27.88
|
||||
S(6) 1.986e-02
|
||||
SO4-2 1.136e-02 4.443e-03 -1.945 -2.352 -0.408 23.91
|
||||
CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42
|
||||
NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67
|
||||
MgSO4 2.446e-03 2.528e-03 -2.611 -2.597 0.014 -0.04
|
||||
KSO4- 1.955e-04 1.606e-04 -3.709 -3.794 -0.085 15.45
|
||||
Mg(SO4)2-2 4.585e-05 2.015e-05 -4.339 -4.696 -0.357 26.88
|
||||
HSO4- 3.438e-07 2.706e-07 -6.464 -6.568 -0.104 41.70
|
||||
FeSO4 3.586e-08 3.645e-08 -7.445 -7.438 0.007 -6.81
|
||||
CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0)
|
||||
FeHSO4+ 1.030e-13 8.105e-14 -12.987 -13.091 -0.104 (0)
|
||||
SO4-2 1.056e-02 4.228e-03 -1.976 -2.374 -0.398 16.55
|
||||
CaSO4 4.906e-03 4.939e-03 -2.309 -2.306 0.003 9.78
|
||||
MgSO4 2.416e-03 2.491e-03 -2.617 -2.604 0.013 1.75
|
||||
NaSO4- 1.704e-03 1.349e-03 -2.768 -2.870 -0.101 17.70
|
||||
KSO4- 1.873e-04 1.544e-04 -3.727 -3.811 -0.084 22.74
|
||||
Mg(SO4)2-2 4.224e-05 1.890e-05 -4.374 -4.724 -0.349 53.84
|
||||
Na2SO4 4.053e-07 4.108e-07 -6.392 -6.386 0.006 35.74
|
||||
HSO4- 3.253e-07 2.575e-07 -6.488 -6.589 -0.101 41.68
|
||||
FeSO4 3.420e-08 3.473e-08 -7.466 -7.459 0.007 32.00
|
||||
CaHSO4+ 9.914e-09 7.848e-09 -8.004 -8.105 -0.101 (0)
|
||||
FeHSO4+ 9.755e-14 7.722e-14 -13.011 -13.112 -0.101 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(336 K, 1 atm)
|
||||
|
||||
Anhydrite -0.11 -4.85 -4.75 CaSO4
|
||||
Aragonite 0.20 -8.47 -8.67 CaCO3
|
||||
Arcanite -6.28 -7.84 -1.55 K2SO4
|
||||
Calcite 0.46 -8.47 -8.92 CaCO3
|
||||
CH2O -14.58 -14.58 0.00 CH2O
|
||||
CO2(g) -0.95 -2.75 -1.80 CO2
|
||||
Dolomite 0.54 -17.51 -18.06 CaMg(CO3)2
|
||||
Anhydrite -0.01 -4.97 -4.96 CaSO4
|
||||
Aragonite 0.11 -8.56 -8.67 CaCO3
|
||||
Arcanite -6.30 -7.85 -1.55 K2SO4
|
||||
Calcite 0.37 -8.56 -8.92 CaCO3
|
||||
CH2O -14.56 -14.56 0.00 CH2O
|
||||
CO2(g) -0.94 -2.75 -1.80 CO2
|
||||
Dolomite 0.47 -17.58 -18.06 CaMg(CO3)2
|
||||
Epsomite -3.94 -5.44 -1.50 MgSO4:7H2O
|
||||
FeS(ppt) -1.02 -4.93 -3.92 FeS
|
||||
Gypsum -0.19 -4.85 -4.66 CaSO4:2H2O
|
||||
H2(g) -6.07 -9.21 -3.14 H2
|
||||
Gypsum -0.16 -4.97 -4.82 CaSO4:2H2O
|
||||
H2(g) -6.06 -9.20 -3.14 H2
|
||||
H2O(g) -0.65 -0.00 0.65 H2O
|
||||
H2S(g) -2.63 -10.55 -7.92 H2S
|
||||
Halite -5.09 -3.50 1.60 NaCl
|
||||
Hexahydrite -3.92 -5.44 -1.51 MgSO4:6H2O
|
||||
Kieserite -4.11 -5.43 -1.32 MgSO4:H2O
|
||||
Mackinawite -0.29 -4.93 -4.65 FeS
|
||||
Melanterite -8.11 -9.96 -1.85 FeSO4:7H2O
|
||||
Mirabilite -5.58 -5.63 -0.06 Na2SO4:10H2O
|
||||
O2(g) -60.02 -63.09 -3.07 O2
|
||||
Pyrite 7.97 -9.57 -17.54 FeS2
|
||||
Siderite -2.47 -13.57 -11.10 FeCO3
|
||||
Sulfur -2.13 1.97 4.09 S
|
||||
Sylvite -4.60 -4.60 0.00 KCl
|
||||
Thenardite -5.14 -5.63 -0.49 Na2SO4
|
||||
Halite -5.07 -3.48 1.60 NaCl
|
||||
Hexahydrite -3.93 -5.44 -1.51 MgSO4:6H2O
|
||||
Kieserite -4.12 -5.44 -1.32 MgSO4:H2O
|
||||
Mackinawite -0.28 -4.93 -4.65 FeS
|
||||
Melanterite -8.13 -9.98 -1.85 FeSO4:7H2O
|
||||
Mirabilite -7.91 -5.62 2.28 Na2SO4:10H2O
|
||||
O2(g) -59.92 -62.99 -3.07 O2
|
||||
Pyrite 7.97 -9.58 -17.54 FeS2
|
||||
Siderite -2.47 -13.56 -11.10 FeCO3
|
||||
Sulfur -2.13 1.96 4.09 S
|
||||
Sylvite -4.59 -4.59 0.00 KCl
|
||||
Thenardite -5.70 -5.62 0.09 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -403,7 +407,7 @@ Solution 1: Recharge number 3
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 7.550e+00 + 0.000e+00 = 7.550e+00
|
||||
Alkalinity 4.014e-03 + 1.077e-04 = 4.122e-03
|
||||
Alkalinity 4.014e-03 + 1.076e-04 = 4.122e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
|
||||
Ca 1.200e-03 + 0.000e+00 = 1.200e-03
|
||||
@ -427,17 +431,17 @@ Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 0.000e+00 = 6.610e+00
|
||||
Alkalinity 5.294e-03 + 0.000e+00 = 5.294e-03
|
||||
Alkalinity 5.270e-03 + 0.000e+00 = 5.270e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + 0.000e+00 = 6.870e-03
|
||||
Ca 1.128e-02 + 0.000e+00 = 1.128e-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) 1.219e-09 + 0.000e+00 = 1.219e-09
|
||||
H(0) 1.237e-09 + 0.000e+00 = 1.237e-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 + -1.221e-03 = 3.067e-02
|
||||
Na 3.189e-02 + -1.245e-03 = 3.064e-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
|
||||
@ -450,8 +454,8 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 0 = 3
|
||||
13C Calcite -1.5 + 0 = -1.5
|
||||
34S Anhydrite 13.5 + -0.70933 = 12.7907
|
||||
13C CH2O -25 + 3.88835 = -21.1116
|
||||
34S Anhydrite 13.5 + -0.72891 = 12.7711
|
||||
13C CH2O -25 + 4.03258 = -20.9674
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
Solution fractions: Minimum Maximum
|
||||
@ -459,24 +463,24 @@ Solution fractions: Minimum Maximum
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm)
|
||||
Dolomite 1.120e-02 1.022e-02 1.195e-02 CaMg(CO3)2 ( 1.07, 0.54)
|
||||
Calcite -2.404e-02 -2.597e-02 -2.112e-02 CaCO3 ( 0.47, 0.46)
|
||||
Anhydrite 2.292e-02 2.037e-02 2.378e-02 CaSO4 ( -2.34, -0.11)
|
||||
CH2O 4.214e-03 2.473e-03 5.798e-03 CH2O ( , )
|
||||
Goethite 9.845e-04 5.123e-04 1.415e-03 FeOOH ( , )
|
||||
Pyrite -9.851e-04 -1.414e-03 -5.140e-04 FeS2 ( , )
|
||||
MgX2 -7.669e-03 -8.595e-03 -6.972e-03 MgX2 ( , )
|
||||
NaX 1.534e-02 1.394e-02 1.719e-02 NaX ( , )
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09)
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60)
|
||||
Dolomite 1.119e-02 1.022e-02 1.194e-02 CaMg(CO3)2 ( 1.07, 0.47)
|
||||
Calcite -2.404e-02 -2.597e-02 -2.114e-02 CaCO3 ( 0.48, 0.37)
|
||||
Anhydrite 2.294e-02 2.039e-02 2.379e-02 CaSO4 ( -2.11, -0.01)
|
||||
CH2O 4.240e-03 2.500e-03 5.823e-03 CH2O ( , )
|
||||
Goethite 9.913e-04 5.195e-04 1.422e-03 FeOOH ( , )
|
||||
Pyrite -9.919e-04 -1.421e-03 -5.212e-04 FeS2 ( , )
|
||||
MgX2 -7.657e-03 -8.582e-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 (-11.07, -5.07)
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.59)
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 9.845e-04
|
||||
H(0) -1.219e-09
|
||||
S(-2) -2.230e-03
|
||||
Fe(3) 9.913e-04
|
||||
H(0) -1.237e-09
|
||||
S(-2) -2.244e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 2.315e+00
|
||||
Sum of delta/uncertainty limit: 4.435e+00
|
||||
Sum of residuals (epsilons in documentation): 2.330e+00
|
||||
Sum of delta/uncertainty limit: 4.488e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
@ -487,7 +491,7 @@ Solution 1: Recharge number 3
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 7.550e+00 + 0.000e+00 = 7.550e+00
|
||||
Alkalinity 4.014e-03 + 1.077e-04 = 4.122e-03
|
||||
Alkalinity 4.014e-03 + 1.076e-04 = 4.122e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 4.300e-03 + 0.000e+00 = 4.300e-03
|
||||
Ca 1.200e-03 + 0.000e+00 = 1.200e-03
|
||||
@ -511,17 +515,17 @@ Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 0.000e+00 = 6.610e+00
|
||||
Alkalinity 5.294e-03 + 0.000e+00 = 5.294e-03
|
||||
Alkalinity 5.270e-03 + 0.000e+00 = 5.270e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + -3.383e-04 = 6.532e-03
|
||||
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
|
||||
C(4) 6.870e-03 + -3.435e-04 = 6.526e-03
|
||||
Ca 1.128e-02 + -7.992e-05 = 1.120e-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) 1.219e-09 + 0.000e+00 = 1.219e-09
|
||||
H(0) 1.237e-09 + 0.000e+00 = 1.237e-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 + -1.221e-03 = 3.067e-02
|
||||
Na 3.189e-02 + -1.085e-03 = 3.080e-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
|
||||
@ -534,7 +538,7 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 2 = 5
|
||||
13C Calcite -1.5 + -1 = -2.5
|
||||
34S Anhydrite 13.5 + -0.146689 = 13.3533
|
||||
34S Anhydrite 13.5 + -0.158223 = 13.3418
|
||||
13C CH2O -25 + 5 = -20
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
@ -543,24 +547,24 @@ Solution fractions: Minimum Maximum
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm)
|
||||
Dolomite 5.447e-03 4.995e-03 5.843e-03 CaMg(CO3)2 ( 1.07, 0.54)
|
||||
Calcite -1.215e-02 -1.336e-02 -1.066e-02 CaCO3 ( 0.47, 0.46)
|
||||
Anhydrite 2.254e-02 2.037e-02 2.298e-02 CaSO4 ( -2.34, -0.11)
|
||||
CH2O 3.489e-03 2.473e-03 4.302e-03 CH2O ( , )
|
||||
Goethite 7.911e-04 5.123e-04 1.016e-03 FeOOH ( , )
|
||||
Pyrite -7.917e-04 -1.016e-03 -5.140e-04 FeS2 ( , )
|
||||
Ca.75Mg.25X2 -7.669e-03 -8.595e-03 -6.972e-03 Ca.75Mg.25X2 ( , )
|
||||
NaX 1.534e-02 1.394e-02 1.719e-02 NaX ( , )
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09)
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60)
|
||||
Dolomite 5.464e-03 4.995e-03 5.840e-03 CaMg(CO3)2 ( 1.07, 0.47)
|
||||
Calcite -1.221e-02 -1.337e-02 -1.068e-02 CaCO3 ( 0.48, 0.37)
|
||||
Anhydrite 2.254e-02 2.039e-02 2.298e-02 CaSO4 ( -2.11, -0.01)
|
||||
CH2O 3.503e-03 2.500e-03 4.300e-03 CH2O ( , )
|
||||
Goethite 7.950e-04 5.195e-04 1.016e-03 FeOOH ( , )
|
||||
Pyrite -7.956e-04 -1.015e-03 -5.212e-04 FeS2 ( , )
|
||||
Ca.75Mg.25X2 -7.737e-03 -8.582e-03 -6.972e-03 Ca.75Mg.25X2 ( , )
|
||||
NaX 1.547e-02 1.394e-02 1.716e-02 NaX ( , )
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.07)
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.59)
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 7.911e-04
|
||||
H(0) -1.219e-09
|
||||
S(-2) -1.843e-03
|
||||
Fe(3) 7.950e-04
|
||||
H(0) -1.237e-09
|
||||
S(-2) -1.851e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 3.311e+00
|
||||
Sum of delta/uncertainty limit: 7.361e+00
|
||||
Sum of residuals (epsilons in documentation): 3.382e+00
|
||||
Sum of delta/uncertainty limit: 7.438e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
|
||||
102
ex2.sel
102
ex2.sel
@ -1,53 +1,53 @@
|
||||
sim state soln dist_x time step pH pe temp si_anhydrite si_gypsum
|
||||
1 i_soln 1 -99 -99 -99 7 4 25.000 -999.9990 -999.9990
|
||||
1 react 1 -99 0 1 7.06605 10.745 25.000 -0.3045 0.0000
|
||||
1 react 1 -99 0 2 7.0524 10.6757 26.000 -0.2935 0.0000
|
||||
1 react 1 -99 0 3 7.03885 10.6068 27.000 -0.2825 0.0000
|
||||
1 react 1 -99 0 4 7.0254 10.5392 28.000 -0.2716 0.0000
|
||||
1 react 1 -99 0 5 7.01206 10.4719 29.000 -0.2608 0.0000
|
||||
1 react 1 -99 0 6 6.99884 10.4042 30.000 -0.2500 0.0000
|
||||
1 react 1 -99 0 7 6.98574 10.3382 31.000 -0.2392 0.0000
|
||||
1 react 1 -99 0 8 6.97276 10.2711 32.000 -0.2285 0.0000
|
||||
1 react 1 -99 0 9 6.95991 10.2057 33.000 -0.2179 0.0000
|
||||
1 react 1 -99 0 10 6.94718 10.1394 34.000 -0.2073 0.0000
|
||||
1 react 1 -99 0 11 6.93459 10.0743 35.000 -0.1967 0.0000
|
||||
1 react 1 -99 0 12 6.92213 10.0094 36.000 -0.1862 0.0000
|
||||
1 react 1 -99 0 13 6.90981 -1.77753 37.000 -0.1757 0.0000
|
||||
1 react 1 -99 0 14 6.89762 9.88094 38.000 -0.1653 0.0000
|
||||
1 react 1 -99 0 15 6.88557 9.8475 39.000 -0.1549 0.0000
|
||||
1 react 1 -99 0 16 6.87366 9.75448 40.000 -0.1445 0.0000
|
||||
1 react 1 -99 0 17 6.86189 9.69091 41.000 -0.1342 0.0000
|
||||
1 react 1 -99 0 18 6.85026 9.62849 42.000 -0.1239 0.0000
|
||||
1 react 1 -99 0 19 6.83878 9.56557 43.000 -0.1137 0.0000
|
||||
1 react 1 -99 0 20 6.82743 9.50326 44.000 -0.1035 0.0000
|
||||
1 react 1 -99 0 21 6.81623 9.44229 45.000 -0.0934 0.0000
|
||||
1 react 1 -99 0 22 6.80517 9.38053 46.000 -0.0833 0.0000
|
||||
1 react 1 -99 0 23 6.79425 9.31897 47.000 -0.0732 0.0000
|
||||
1 react 1 -99 0 24 6.78347 9.21452 48.000 -0.0632 0.0000
|
||||
1 react 1 -99 0 25 6.77284 9.19666 49.000 -0.0532 0.0000
|
||||
1 react 1 -99 0 26 6.76235 -1.65493 50.000 -0.0432 0.0000
|
||||
1 react 1 -99 0 27 6.752 -2.0958 51.000 -0.0333 0.0000
|
||||
1 react 1 -99 0 28 6.7418 9.04692 52.000 -0.0234 0.0000
|
||||
1 react 1 -99 0 29 6.73173 8.91531 53.000 -0.0136 0.0000
|
||||
1 react 1 -99 0 30 6.72181 -1.62167 54.000 -0.0038 0.0000
|
||||
1 react 1 -99 0 31 6.71125 8.8323 55.000 0.0000 -0.0060
|
||||
1 react 1 -99 0 32 6.70039 8.80527 56.000 0.0000 -0.0157
|
||||
1 react 1 -99 0 33 6.68965 8.74835 57.000 0.0000 -0.0254
|
||||
1 react 1 -99 0 34 6.67903 8.66106 58.000 0.0000 -0.0350
|
||||
1 react 1 -99 0 35 6.66853 8.60472 59.000 0.0000 -0.0446
|
||||
1 react 1 -99 0 36 6.65815 8.54858 60.000 0.0000 -0.0542
|
||||
1 react 1 -99 0 37 6.64789 8.49291 61.000 0.0000 -0.0638
|
||||
1 react 1 -99 0 38 6.63774 8.4911 62.000 0.0000 -0.0733
|
||||
1 react 1 -99 0 39 6.62771 8.38287 63.000 0.0000 -0.0828
|
||||
1 react 1 -99 0 40 6.6178 8.32762 64.000 0.0000 -0.0922
|
||||
1 react 1 -99 0 41 6.608 8.27306 65.000 0.0000 -0.1016
|
||||
1 react 1 -99 0 42 6.59833 8.21823 66.000 0.0000 -0.1110
|
||||
1 react 1 -99 0 43 6.58876 8.16425 67.000 0.0000 -0.1204
|
||||
1 react 1 -99 0 44 6.57931 8.11019 68.000 0.0000 -0.1297
|
||||
1 react 1 -99 0 45 6.56998 8.0567 69.000 0.0000 -0.1390
|
||||
1 react 1 -99 0 46 6.56075 8.00299 70.000 0.0000 -0.1483
|
||||
1 react 1 -99 0 47 6.55165 7.94953 71.000 0.0000 -0.1575
|
||||
1 react 1 -99 0 48 6.54265 7.92562 72.000 0.0000 -0.1667
|
||||
1 react 1 -99 0 49 6.53376 7.8729 73.000 0.0000 -0.1758
|
||||
1 react 1 -99 0 50 6.52499 7.79009 74.000 0.0000 -0.1850
|
||||
1 react 1 -99 0 51 6.51633 7.73789 75.000 0.0000 -0.1941
|
||||
1 react 1 -99 0 1 7.06823 10.7383 25.000 -0.2342 0.0000
|
||||
1 react 1 -99 0 2 7.05439 10.6675 26.000 -0.2223 0.0000
|
||||
1 react 1 -99 0 3 7.04064 10.5967 27.000 -0.2105 0.0000
|
||||
1 react 1 -99 0 4 7.02696 10.527 28.000 -0.1989 0.0000
|
||||
1 react 1 -99 0 5 7.01337 10.4576 29.000 -0.1874 0.0000
|
||||
1 react 1 -99 0 6 6.99987 10.3892 30.000 -0.1760 0.0000
|
||||
1 react 1 -99 0 7 6.98646 10.3203 31.000 -0.1647 0.0000
|
||||
1 react 1 -99 0 8 6.97316 10.2529 32.000 -0.1535 0.0000
|
||||
1 react 1 -99 0 9 6.95995 10.1853 33.000 -0.1425 0.0000
|
||||
1 react 1 -99 0 10 6.94686 10.1183 34.000 -0.1316 0.0000
|
||||
1 react 1 -99 0 11 6.93387 10.0524 35.000 -0.1208 0.0000
|
||||
1 react 1 -99 0 12 6.921 10.0159 36.000 -0.1101 0.0000
|
||||
1 react 1 -99 0 13 6.90824 9.91989 37.000 -0.0995 0.0000
|
||||
1 react 1 -99 0 14 6.89559 -1.76516 38.000 -0.0891 0.0000
|
||||
1 react 1 -99 0 15 6.88307 10.2533 39.000 -0.0787 0.0000
|
||||
1 react 1 -99 0 16 6.87066 9.72796 40.000 -0.0685 0.0000
|
||||
1 react 1 -99 0 17 6.85837 9.66411 41.000 -0.0583 0.0000
|
||||
1 react 1 -99 0 18 6.8462 9.5998 42.000 -0.0483 0.0000
|
||||
1 react 1 -99 0 19 6.83415 9.53902 43.000 -0.0384 0.0000
|
||||
1 react 1 -99 0 20 6.82223 9.47504 44.000 -0.0285 0.0000
|
||||
1 react 1 -99 0 21 6.81043 -1.69352 45.000 -0.0188 0.0000
|
||||
1 react 1 -99 0 22 6.79875 9.35314 46.000 -0.0092 0.0000
|
||||
1 react 1 -99 0 23 6.7871 9.28488 47.000 0.0000 -0.0004
|
||||
1 react 1 -99 0 24 6.77466 9.22522 48.000 0.0000 -0.0098
|
||||
1 react 1 -99 0 25 6.76235 9.16496 49.000 0.0000 -0.0191
|
||||
1 react 1 -99 0 26 6.75014 9.13629 50.000 0.0000 -0.0284
|
||||
1 react 1 -99 0 27 6.73805 9.07807 51.000 0.0000 -0.0375
|
||||
1 react 1 -99 0 28 6.72608 8.98963 52.000 0.0000 -0.0465
|
||||
1 react 1 -99 0 29 6.71423 8.93234 53.000 0.0000 -0.0555
|
||||
1 react 1 -99 0 30 6.70249 8.87542 54.000 0.0000 -0.0644
|
||||
1 react 1 -99 0 31 6.69086 8.81863 55.000 0.0000 -0.0732
|
||||
1 react 1 -99 0 32 6.67935 8.79272 56.000 0.0000 -0.0818
|
||||
1 react 1 -99 0 33 6.66796 8.66422 57.000 0.0000 -0.0905
|
||||
1 react 1 -99 0 34 6.65668 8.65249 58.000 0.0000 -0.0990
|
||||
1 react 1 -99 0 35 6.64552 8.59687 59.000 0.0000 -0.1074
|
||||
1 react 1 -99 0 36 6.63447 8.5428 60.000 0.0000 -0.1158
|
||||
1 react 1 -99 0 37 6.62354 8.48807 61.000 0.0000 -0.1240
|
||||
1 react 1 -99 0 38 6.61272 8.43404 62.000 0.0000 -0.1322
|
||||
1 react 1 -99 0 39 6.60201 8.38036 63.000 0.0000 -0.1403
|
||||
1 react 1 -99 0 40 6.59141 8.32752 64.000 0.0000 -0.1484
|
||||
1 react 1 -99 0 41 6.58092 8.27447 65.000 0.0000 -0.1563
|
||||
1 react 1 -99 0 42 6.57055 8.22176 66.000 0.0000 -0.1642
|
||||
1 react 1 -99 0 43 6.56029 8.16975 67.000 0.0000 -0.1720
|
||||
1 react 1 -99 0 44 6.55013 8.11813 68.000 0.0000 -0.1797
|
||||
1 react 1 -99 0 45 6.54008 8.06687 69.000 0.0000 -0.1873
|
||||
1 react 1 -99 0 46 6.53015 8.01573 70.000 0.0000 -0.1949
|
||||
1 react 1 -99 0 47 6.52032 7.96505 71.000 0.0000 -0.2024
|
||||
1 react 1 -99 0 48 6.51059 7.91503 72.000 0.0000 -0.2098
|
||||
1 react 1 -99 0 49 6.50097 7.86507 73.000 0.0000 -0.2172
|
||||
1 react 1 -99 0 50 6.49146 7.81557 74.000 0.0000 -0.2245
|
||||
1 react 1 -99 0 51 6.48205 7.76517 75.000 0.0000 -0.2317
|
||||
|
||||
84
ex20a.out
84
ex20a.out
@ -217,7 +217,7 @@ Calcite 2.54e-07
|
||||
|
||||
Isotope Ratio Ratio Input Units
|
||||
|
||||
R(D) 1.55760e-04 -6.6613e-13 permil
|
||||
R(D) 1.55760e-04 -8.8818e-13 permil
|
||||
R(18O) 2.00520e-03 -3.9446e-07 permil
|
||||
R(13C) 1.11802e-02 -0.00026756 permil
|
||||
R(D) H2O(l) 1.55760e-04 1.138e-05 permil
|
||||
@ -226,7 +226,7 @@ Calcite 2.54e-07
|
||||
R(18O) OH- 1.93086e-03 -37.072 permil
|
||||
R(D) H3O+ 1.62250e-04 41.665 permil
|
||||
R(18O) H3O+ 2.05157e-03 23.123 permil
|
||||
R(D) H2(aq) 1.55760e-04 1.138e-05 permil
|
||||
R(D) H2(aq) 1.55760e-04 1.1381e-05 permil
|
||||
R(13C) CO2(aq) 1.10852e-02 -8.4965 permil
|
||||
R(18O) CO2(aq) 2.08959e-03 42.084 permil
|
||||
R(D) HCO3- 1.55760e-04 1.1383e-05 permil
|
||||
@ -249,15 +249,15 @@ Alpha D OH-/H2O(l) 0.23812 -1435 -1435
|
||||
Alpha 18O OH-/H2O(l) 0.96293 -37.777 -37.777
|
||||
Alpha D H3O+/H2O(l) 1.0417 40.82 40.82
|
||||
Alpha 18O H3O+/H2O(l) 1.0231 22.86 22.86
|
||||
Alpha D H2(aq)/H2O(l) 1 -2.2204e-12 0
|
||||
Alpha D H2(aq)/H2O(l) 1 1.9984e-12 0
|
||||
Alpha 18O CO2(aq)/H2O(l) 1.0421 41.223 41.223
|
||||
Alpha D HCO3-/H2O(l) 1 2.2549e-09 0
|
||||
Alpha 18O HCO3-/H2O(l) 1 -2.1094e-12 0
|
||||
Alpha D HCO3-/H2O(l) 1 2.2553e-09 0
|
||||
Alpha 18O HCO3-/H2O(l) 1 -1.9984e-12 0
|
||||
Alpha 13C HCO3-/CO2(aq) 1.0087 8.6622 8.6622
|
||||
Alpha 18O CO3-2/H2O(l) 1 -1.5561e-09 0
|
||||
Alpha 18O CO3-2/H2O(l) 1 -1.568e-09 0
|
||||
Alpha 13C CO3-2/CO2(aq) 1.0073 7.2261 7.2261
|
||||
Alpha D CH4(aq)/H2O(l) 1 -3.7301e-09 0
|
||||
Alpha 13C CH4(aq)/CO2(aq) 1 -1.8874e-12 0
|
||||
Alpha D CH4(aq)/H2O(l) 1 -3.7468e-09 0
|
||||
Alpha 13C CH4(aq)/CO2(aq) 1 -6.1062e-12 0
|
||||
Alpha 18O Calcite/H2O(l) 1.0288 28.383 28.383
|
||||
Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
|
||||
@ -275,7 +275,7 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 8.199 Charge balance
|
||||
pe = -2.402 Adjusted to redox equilibrium
|
||||
pe = -2.406 Adjusted to redox equilibrium
|
||||
Activity of water = 0.998
|
||||
Ionic strength (mol/kgw) = 2.301e-03
|
||||
Mass of water (kg) = 9.968e-01
|
||||
@ -284,7 +284,7 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 1.667e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 94
|
||||
Iterations = 85
|
||||
Total H = 1.109971e+02
|
||||
Total O = 5.540110e+01
|
||||
|
||||
@ -296,9 +296,9 @@ Alpha 13C Calcite/CO2(aq) 1.0107 10.641 10.641
|
||||
OH- 1.661e-06 1.575e-06 -5.780 -5.803 -0.023 (0)
|
||||
H3O+ 6.648e-09 6.328e-09 -8.177 -8.199 -0.021 0.00
|
||||
H2O 5.556e+01 9.977e-01 1.745 -0.001 0.000 18.07
|
||||
C(-4) 2.760e-27
|
||||
CH4 2.758e-27 2.759e-27 -26.559 -26.559 0.000 (0)
|
||||
CH3D 1.718e-30 1.719e-30 -29.765 -29.765 0.000 (0)
|
||||
C(-4) 2.966e-27
|
||||
CH4 2.964e-27 2.965e-27 -26.528 -26.528 0.000 (0)
|
||||
CH3D 1.847e-30 1.848e-30 -29.734 -29.733 0.000 (0)
|
||||
C(4) 1.984e-03
|
||||
HCO3- 1.916e-03 1.817e-03 -2.718 -2.741 -0.023 (0)
|
||||
CO2 2.597e-05 2.598e-05 -4.586 -4.585 0.000 (0)
|
||||
@ -336,17 +336,17 @@ Ca 3.098e-04
|
||||
CaHCO[18O]O+ 1.186e-08 1.126e-08 -7.926 -7.948 -0.023 (0)
|
||||
CaDCO3+ 9.216e-10 8.750e-10 -9.035 -9.058 -0.023 (0)
|
||||
Ca[13C]O2[18O] 3.672e-10 3.674e-10 -9.435 -9.435 0.000 (0)
|
||||
D(0) 5.647e-19
|
||||
HD 5.646e-19 5.649e-19 -18.248 -18.248 0.000 (0)
|
||||
D2 4.397e-23 4.399e-23 -22.357 -22.357 0.000 (0)
|
||||
D(0) 5.749e-19
|
||||
HD 5.748e-19 5.752e-19 -18.240 -18.240 0.000 (0)
|
||||
D2 4.477e-23 4.479e-23 -22.349 -22.349 0.000 (0)
|
||||
D(1) 1.734e-02
|
||||
HDO 1.731e-02 3.108e-04 -1.762 -3.507 -1.746 (0)
|
||||
HD[18O] 3.470e-05 6.233e-07 -4.460 -6.205 -1.746 (0)
|
||||
D2O 1.348e-06 2.421e-08 -5.870 -7.616 -1.746 (0)
|
||||
DCO3- 2.985e-07 2.831e-07 -6.525 -6.548 -0.023 (0)
|
||||
H(0) 3.626e-15
|
||||
H2 1.812e-15 1.813e-15 -14.742 -14.742 0.000 (0)
|
||||
HD 5.646e-19 5.649e-19 -18.248 -18.248 0.000 (0)
|
||||
H(0) 3.692e-15
|
||||
H2 1.845e-15 1.846e-15 -14.734 -14.734 0.000 (0)
|
||||
HD 5.748e-19 5.752e-19 -18.240 -18.240 0.000 (0)
|
||||
Na 1.385e-03
|
||||
Na+ 1.383e-03 1.312e-03 -2.859 -2.882 -0.023 (0)
|
||||
NaHCO3 1.340e-06 1.341e-06 -5.873 -5.873 0.000 (0)
|
||||
@ -358,11 +358,11 @@ Na 1.385e-03
|
||||
NaHC[18O]O2 2.687e-09 2.689e-09 -8.571 -8.570 0.000 (0)
|
||||
NaCO2[18O]- 2.083e-09 1.976e-09 -8.681 -8.704 -0.023 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -62.899 -62.899 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.296 -65.296 0.000 (0)
|
||||
[13C](-4) 3.059e-29
|
||||
[13C]H4 3.057e-29 3.059e-29 -28.515 -28.514 0.000 (0)
|
||||
[13C]H3D 1.905e-32 1.906e-32 -31.720 -31.720 0.000 (0)
|
||||
O2 0.000e+00 0.000e+00 -62.915 -62.915 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.312 -65.311 0.000 (0)
|
||||
[13C](-4) 3.287e-29
|
||||
[13C]H4 3.285e-29 3.287e-29 -28.483 -28.483 0.000 (0)
|
||||
[13C]H3D 2.047e-32 2.048e-32 -31.689 -31.689 0.000 (0)
|
||||
[13C](4) 2.218e-05
|
||||
H[13C]O3- 2.143e-05 2.032e-05 -4.669 -4.692 -0.023 (0)
|
||||
[13C]O2 2.878e-07 2.880e-07 -6.541 -6.541 0.000 (0)
|
||||
@ -395,22 +395,22 @@ O(0) 0.000e+00
|
||||
HC[18O]O2- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
HCO[18O]O- 3.842e-06 3.644e-06 -5.415 -5.438 -0.023 (0)
|
||||
[18O](0) 0.000e+00
|
||||
O[18O] 0.000e+00 0.000e+00 -65.296 -65.296 0.000 (0)
|
||||
[18O]2 0.000e+00 0.000e+00 -68.295 -68.295 0.000 (0)
|
||||
O[18O] 0.000e+00 0.000e+00 -65.312 -65.311 0.000 (0)
|
||||
[18O]2 0.000e+00 0.000e+00 -68.310 -68.310 0.000 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
[13C][18O]2(g) -10.43 -11.94 -1.50 [13C][18O]2
|
||||
[13C]D4(g) -40.88 -43.74 -2.86 [13C]D4
|
||||
[13C]H2D2(g) -32.49 -36.13 -3.64 [13C]H2D2
|
||||
[13C]H3D(g) -28.86 -32.32 -3.46 [13C]H3D
|
||||
[13C]H4(g) -25.65 -28.51 -2.86 [13C]H4
|
||||
[13C]HD3(g) -36.48 -39.94 -3.46 [13C]HD3
|
||||
[13C]D4(g) -40.85 -43.71 -2.86 [13C]D4
|
||||
[13C]H2D2(g) -32.46 -36.10 -3.64 [13C]H2D2
|
||||
[13C]H3D(g) -28.83 -32.29 -3.46 [13C]H3D
|
||||
[13C]H4(g) -25.62 -28.48 -2.86 [13C]H4
|
||||
[13C]HD3(g) -36.44 -39.91 -3.46 [13C]HD3
|
||||
[13C]O2(g) -5.07 -6.54 -1.47 [13C]O2
|
||||
[13C]O[18O](g) -7.45 -9.24 -1.79 [13C]O[18O]
|
||||
[18O]2(g) -66.00 -68.29 -2.29 [18O]2
|
||||
[18O]2(g) -66.02 -68.31 -2.29 [18O]2
|
||||
C[18O]2(g) -8.48 -9.98 -1.50 C[18O]2
|
||||
Ca[13C][18O]3(s) -10.01 -1.86 8.16 Ca[13C][18O]3
|
||||
Ca[13C]O2[18O](s) -4.17 3.54 7.71 Ca[13C]O2[18O]
|
||||
@ -420,24 +420,24 @@ O(0) 0.000e+00
|
||||
CaCO2[18O](s) -2.22 5.50 7.71 CaCO2[18O]
|
||||
CaCO[18O]2(s) -4.90 2.80 7.70 CaCO[18O]2
|
||||
Calcite -0.01 -8.49 -8.48 CaCO3
|
||||
CD4(g) -38.93 -41.79 -2.86 CD4
|
||||
CH2D2(g) -30.54 -34.17 -3.64 CH2D2
|
||||
CH3D(g) -26.90 -30.37 -3.46 CH3D
|
||||
CH4(g) -23.70 -26.56 -2.86 CH4
|
||||
CHD3(g) -34.52 -37.98 -3.46 CHD3
|
||||
CD4(g) -38.90 -41.76 -2.86 CD4
|
||||
CH2D2(g) -30.50 -34.14 -3.64 CH2D2
|
||||
CH3D(g) -26.87 -30.34 -3.46 CH3D
|
||||
CH4(g) -23.67 -26.53 -2.86 CH4
|
||||
CHD3(g) -34.49 -37.95 -3.46 CHD3
|
||||
CO2(g) -3.12 -4.59 -1.47 CO2
|
||||
CO[18O](g) -5.50 -7.28 -1.79 CO[18O]
|
||||
D2(g) -19.21 -22.36 -3.15 D2
|
||||
D2(g) -19.20 -22.35 -3.15 D2
|
||||
D2[18O](g) -11.89 -10.31 1.58 D2[18O]
|
||||
D2O(g) -9.19 -7.62 1.58 D2O
|
||||
H2(g) -11.59 -14.74 -3.15 H2
|
||||
H2(g) -11.58 -14.73 -3.15 H2
|
||||
H2[18O](g) -4.21 -2.70 1.51 H2[18O]
|
||||
H2O(g) -1.51 -0.00 1.51 H2O
|
||||
HD(g) -15.10 -18.55 -3.45 HD
|
||||
HD(g) -15.09 -18.54 -3.45 HD
|
||||
HD[18O](g) -7.75 -6.51 1.25 HD[18O]
|
||||
HDO(g) -5.05 -3.81 1.24 HDO
|
||||
O2(g) -60.01 -62.90 -2.89 O2
|
||||
O[18O](g) -62.70 -65.60 -2.89 O[18O]
|
||||
O2(g) -60.02 -62.91 -2.89 O2
|
||||
O[18O](g) -62.72 -65.61 -2.89 O[18O]
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
|
||||
142
ex21.out
142
ex21.out
@ -141,7 +141,7 @@ H(0) 1.416e-25
|
||||
Na 1.000e-03
|
||||
Na+ 1.000e-03 9.652e-04 -3.000 -3.015 -0.015 -1.48
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -42.063 -42.063 0.000 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -150,7 +150,7 @@ O(0) 0.000e+00
|
||||
H2(g) -22.05 -25.15 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -7.60 -6.03 1.57 NaCl
|
||||
O2(g) -39.19 -42.08 -2.89 O2
|
||||
O2(g) -39.17 -42.06 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -436,15 +436,15 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
|
||||
pH = 7.600
|
||||
pe = 13.120 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 23°C) = 29069
|
||||
Specific Conductance (µS/cm, 23°C) = 29103
|
||||
Density (g/cm³) = 1.01168
|
||||
Volume (L) = 0.20146
|
||||
Viscosity (mPa s) = 0.96932
|
||||
Viscosity (mPa s) = 0.96837
|
||||
Activity of water = 0.990
|
||||
Ionic strength (mol/kgw) = 3.633e-01
|
||||
Ionic strength (mol/kgw) = 3.657e-01
|
||||
Mass of water (kg) = 2.000e-01
|
||||
Total carbon (mol/kg) = 4.811e-04
|
||||
Total CO2 (mol/kg) = 4.811e-04
|
||||
Total carbon (mol/kg) = 4.812e-04
|
||||
Total CO2 (mol/kg) = 4.812e-04
|
||||
Temperature (°C) = 23.00
|
||||
Electrical balance (eq) = -1.312e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.10
|
||||
@ -457,93 +457,95 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 5.188e-07 3.419e-07 -6.285 -6.466 -0.181 -3.26
|
||||
H+ 3.237e-08 2.512e-08 -7.490 -7.600 -0.110 0.00
|
||||
OH- 5.192e-07 3.419e-07 -6.285 -6.466 -0.181 -3.26
|
||||
H+ 3.238e-08 2.512e-08 -7.490 -7.600 -0.110 0.00
|
||||
H2O 5.551e+01 9.899e-01 1.744 -0.004 0.000 18.06
|
||||
C(4) 4.811e-04
|
||||
HCO3- 3.911e-04 2.781e-04 -3.408 -3.556 -0.148 25.30
|
||||
NaHCO3 3.292e-05 3.892e-05 -4.483 -4.410 0.073 31.75
|
||||
MgHCO3+ 2.266e-05 1.528e-05 -4.645 -4.816 -0.171 5.70
|
||||
CO2 1.541e-05 1.628e-05 -4.812 -4.788 0.024 34.33
|
||||
CaHCO3+ 9.133e-06 6.615e-06 -5.039 -5.179 -0.140 9.83
|
||||
CaCO3 4.998e-06 5.434e-06 -5.301 -5.265 0.036 -14.61
|
||||
MgCO3 2.008e-06 2.184e-06 -5.697 -5.661 0.036 -17.09
|
||||
CO3-2 1.949e-06 4.981e-07 -5.710 -6.303 -0.593 -1.75
|
||||
SrHCO3+ 7.330e-07 5.211e-07 -6.135 -6.283 -0.148 (0)
|
||||
KHCO3 1.261e-07 1.271e-07 -6.899 -6.896 0.003 41.01
|
||||
SrCO3 3.617e-08 3.932e-08 -7.442 -7.405 0.036 -14.14
|
||||
(CO2)2 4.185e-12 4.551e-12 -11.378 -11.342 0.036 68.67
|
||||
C(4) 4.812e-04
|
||||
HCO3- 3.915e-04 2.782e-04 -3.407 -3.556 -0.148 25.30
|
||||
NaHCO3 3.313e-05 3.921e-05 -4.480 -4.407 0.073 31.75
|
||||
MgHCO3+ 2.221e-05 1.497e-05 -4.654 -4.825 -0.171 5.70
|
||||
CO2 1.541e-05 1.629e-05 -4.812 -4.788 0.024 34.33
|
||||
CaHCO3+ 9.143e-06 6.619e-06 -5.039 -5.179 -0.140 9.83
|
||||
CaCO3 4.998e-06 5.437e-06 -5.301 -5.265 0.037 -14.61
|
||||
MgCO3 1.966e-06 2.138e-06 -5.706 -5.670 0.037 -17.09
|
||||
CO3-2 1.954e-06 4.983e-07 -5.709 -6.303 -0.593 -1.74
|
||||
SrHCO3+ 7.215e-07 5.127e-07 -6.142 -6.290 -0.148 (0)
|
||||
KHCO3 1.255e-07 1.265e-07 -6.901 -6.898 0.003 41.01
|
||||
SrCO3 3.557e-08 3.869e-08 -7.449 -7.412 0.037 -14.14
|
||||
(CO2)2 4.186e-12 4.554e-12 -11.378 -11.342 0.037 68.67
|
||||
Ca 2.580e-02
|
||||
Ca+2 2.429e-02 6.749e-03 -1.615 -2.171 -0.556 -17.03
|
||||
CaSO4 1.496e-03 1.626e-03 -2.825 -2.789 0.036 7.42
|
||||
CaHCO3+ 9.133e-06 6.615e-06 -5.039 -5.179 -0.140 9.83
|
||||
CaCO3 4.998e-06 5.434e-06 -5.301 -5.265 0.036 -14.61
|
||||
CaOH+ 6.034e-08 4.414e-08 -7.219 -7.355 -0.136 (0)
|
||||
CaHSO4+ 3.568e-10 2.610e-10 -9.448 -9.583 -0.136 (0)
|
||||
Ca+2 2.433e-02 6.751e-03 -1.614 -2.171 -0.557 -17.02
|
||||
CaSO4 1.454e-03 1.509e-03 -2.837 -2.821 0.016 7.01
|
||||
CaHCO3+ 9.143e-06 6.619e-06 -5.039 -5.179 -0.140 9.83
|
||||
CaCO3 4.998e-06 5.437e-06 -5.301 -5.265 0.037 -14.61
|
||||
CaOH+ 6.036e-08 4.416e-08 -7.219 -7.355 -0.136 (0)
|
||||
CaHSO4+ 4.444e-10 3.251e-10 -9.352 -9.488 -0.136 (0)
|
||||
Cl 3.000e-01
|
||||
Cl- 3.000e-01 2.018e-01 -0.523 -0.695 -0.172 18.53
|
||||
HCl 1.239e-09 1.768e-09 -8.907 -8.752 0.155 (0)
|
||||
Cl- 3.000e-01 2.017e-01 -0.523 -0.695 -0.172 18.53
|
||||
HCl 1.235e-09 1.767e-09 -8.908 -8.753 0.156 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.617 -44.580 0.036 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.618 -44.581 0.037 28.61
|
||||
Hto 1.140e-09
|
||||
Hto 1.140e-09 1.140e-09 -8.943 -8.943 0.000 (0)
|
||||
K 1.610e-03
|
||||
K+ 1.584e-03 1.057e-03 -2.800 -2.976 -0.176 9.40
|
||||
KSO4- 2.634e-05 2.195e-05 -4.579 -4.659 -0.079 13.22
|
||||
KHCO3 1.261e-07 1.271e-07 -6.899 -6.896 0.003 41.01
|
||||
K+ 1.577e-03 1.052e-03 -2.802 -2.978 -0.176 9.40
|
||||
KSO4- 3.262e-05 2.720e-05 -4.486 -4.565 -0.079 31.55
|
||||
KHCO3 1.255e-07 1.265e-07 -6.901 -6.898 0.003 41.01
|
||||
Mg 1.690e-02
|
||||
Mg+2 1.548e-02 4.737e-03 -1.810 -2.325 -0.514 -20.64
|
||||
MgSO4 1.371e-03 1.620e-03 -2.863 -2.790 0.073 -8.62
|
||||
Mg(SO4)2-2 2.392e-05 7.620e-06 -4.621 -5.118 -0.497 27.97
|
||||
MgHCO3+ 2.266e-05 1.528e-05 -4.645 -4.816 -0.171 5.70
|
||||
MgCO3 2.008e-06 2.184e-06 -5.697 -5.661 0.036 -17.09
|
||||
MgOH+ 7.694e-07 5.651e-07 -6.114 -6.248 -0.134 (0)
|
||||
Mg+2 1.517e-02 4.637e-03 -1.819 -2.334 -0.515 -20.64
|
||||
MgSO4 1.669e-03 1.975e-03 -2.778 -2.704 0.073 -0.58
|
||||
Mg(SO4)2-2 3.635e-05 1.156e-05 -4.440 -4.937 -0.497 46.00
|
||||
MgHCO3+ 2.221e-05 1.497e-05 -4.654 -4.825 -0.171 5.70
|
||||
MgCO3 1.966e-06 2.138e-06 -5.706 -5.670 0.037 -17.09
|
||||
MgOH+ 7.536e-07 5.532e-07 -6.123 -6.257 -0.134 (0)
|
||||
Na 2.400e-01
|
||||
Na+ 2.347e-01 1.701e-01 -0.629 -0.769 -0.140 -0.85
|
||||
NaSO4- 5.251e-03 3.746e-03 -2.280 -2.426 -0.147 2.97
|
||||
NaHCO3 3.292e-05 3.892e-05 -4.483 -4.410 0.073 31.75
|
||||
O(0) 2.438e-04
|
||||
O2 1.219e-04 1.325e-04 -3.914 -3.878 0.036 30.24
|
||||
Na+ 2.365e-01 1.714e-01 -0.626 -0.766 -0.140 -0.85
|
||||
NaSO4- 3.498e-03 2.521e-03 -2.456 -2.598 -0.142 20.13
|
||||
NaHCO3 3.313e-05 3.921e-05 -4.480 -4.407 0.073 31.75
|
||||
Na2SO4 1.599e-07 1.722e-07 -6.796 -6.764 0.032 48.97
|
||||
O(0) 2.437e-04
|
||||
O2 1.218e-04 1.325e-04 -3.914 -3.878 0.037 30.24
|
||||
S(6) 1.410e-02
|
||||
SO4-2 5.877e-03 1.376e-03 -2.231 -2.862 -0.631 32.29
|
||||
NaSO4- 5.251e-03 3.746e-03 -2.280 -2.426 -0.147 2.97
|
||||
CaSO4 1.496e-03 1.626e-03 -2.825 -2.789 0.036 7.42
|
||||
MgSO4 1.371e-03 1.620e-03 -2.863 -2.790 0.073 -8.62
|
||||
SrSO4 3.160e-05 3.436e-05 -4.500 -4.464 0.036 24.16
|
||||
KSO4- 2.634e-05 2.195e-05 -4.579 -4.659 -0.079 13.22
|
||||
Mg(SO4)2-2 2.392e-05 7.620e-06 -4.621 -5.118 -0.497 27.97
|
||||
HSO4- 4.398e-09 3.217e-09 -8.357 -8.493 -0.136 40.64
|
||||
CaHSO4+ 3.568e-10 2.610e-10 -9.448 -9.583 -0.136 (0)
|
||||
SO4-2 7.335e-03 1.713e-03 -2.135 -2.766 -0.632 15.84
|
||||
NaSO4- 3.498e-03 2.521e-03 -2.456 -2.598 -0.142 20.13
|
||||
MgSO4 1.669e-03 1.975e-03 -2.778 -2.704 0.073 -0.58
|
||||
CaSO4 1.454e-03 1.509e-03 -2.837 -2.821 0.016 7.01
|
||||
SrSO4 3.868e-05 4.208e-05 -4.413 -4.376 0.037 24.16
|
||||
Mg(SO4)2-2 3.635e-05 1.156e-05 -4.440 -4.937 -0.497 46.00
|
||||
KSO4- 3.262e-05 2.720e-05 -4.486 -4.565 -0.079 31.55
|
||||
Na2SO4 1.599e-07 1.722e-07 -6.796 -6.764 0.032 48.97
|
||||
HSO4- 5.475e-09 4.005e-09 -8.262 -8.397 -0.136 40.64
|
||||
CaHSO4+ 4.444e-10 3.251e-10 -9.352 -9.488 -0.136 (0)
|
||||
Sr 5.050e-04
|
||||
Sr+2 4.726e-04 1.312e-04 -3.325 -3.882 -0.557 -16.75
|
||||
SrSO4 3.160e-05 3.436e-05 -4.500 -4.464 0.036 24.16
|
||||
SrHCO3+ 7.330e-07 5.211e-07 -6.135 -6.283 -0.148 (0)
|
||||
SrCO3 3.617e-08 3.932e-08 -7.442 -7.405 0.036 -14.14
|
||||
SrOH+ 3.780e-10 2.652e-10 -9.422 -9.576 -0.154 (0)
|
||||
Sr+2 4.656e-04 1.290e-04 -3.332 -3.889 -0.557 -16.75
|
||||
SrSO4 3.868e-05 4.208e-05 -4.413 -4.376 0.037 24.16
|
||||
SrHCO3+ 7.215e-07 5.127e-07 -6.142 -6.290 -0.148 (0)
|
||||
SrCO3 3.557e-08 3.869e-08 -7.449 -7.412 0.037 -14.14
|
||||
SrOH+ 3.720e-10 2.608e-10 -9.429 -9.584 -0.154 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(296 K, 1 atm)
|
||||
|
||||
Anhydrite -0.78 -5.03 -4.26 CaSO4
|
||||
Anhydrite -0.65 -4.94 -4.28 CaSO4
|
||||
Aragonite -0.15 -8.47 -8.32 CaCO3
|
||||
Arcanite -6.91 -8.81 -1.91 K2SO4
|
||||
Arcanite -6.82 -8.72 -1.91 K2SO4
|
||||
Calcite -0.01 -8.47 -8.47 CaCO3
|
||||
Celestite -0.10 -6.74 -6.65 SrSO4
|
||||
Celestite -0.01 -6.66 -6.65 SrSO4
|
||||
CO2(g) -3.34 -4.79 -1.44 CO2
|
||||
Dolomite -0.05 -17.10 -17.05 CaMg(CO3)2
|
||||
Epsomite -3.47 -5.22 -1.75 MgSO4:7H2O
|
||||
Gypsum -0.46 -5.04 -4.58 CaSO4:2H2O
|
||||
Dolomite -0.06 -17.11 -17.05 CaMg(CO3)2
|
||||
Epsomite -3.38 -5.13 -1.75 MgSO4:7H2O
|
||||
Gypsum -0.40 -4.95 -4.54 CaSO4:2H2O
|
||||
H2(g) -41.48 -44.58 -3.10 H2
|
||||
H2O(g) -1.56 -0.00 1.55 H2O
|
||||
Halite -3.03 -1.46 1.57 NaCl
|
||||
Hexahydrite -3.64 -5.21 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.02 -5.19 -1.17 MgSO4:H2O
|
||||
Mirabilite -3.12 -4.44 -1.33 Na2SO4:10H2O
|
||||
Hexahydrite -3.56 -5.13 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.93 -5.10 -1.17 MgSO4:H2O
|
||||
Mirabilite -3.49 -4.34 -0.85 Na2SO4:10H2O
|
||||
O2(g) -1.00 -3.88 -2.88 O2 Pressure 0.1 atm, phi 1.000
|
||||
Strontianite -0.92 -10.18 -9.27 SrCO3
|
||||
Strontianite -0.92 -10.19 -9.27 SrCO3
|
||||
Sylvite -4.56 -3.67 0.89 KCl
|
||||
Thenardite -4.11 -4.40 -0.29 Na2SO4
|
||||
Thenardite -4.98 -4.30 0.68 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
|
||||
658
ex3.out
658
ex3.out
@ -78,7 +78,7 @@ Initial solution 1. Pure water
|
||||
H(0) 1.416e-25
|
||||
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -42.063 -42.063 0.000 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -86,7 +86,7 @@ O(0) 0.000e+00
|
||||
|
||||
H2(g) -22.05 -25.15 -3.10 H2
|
||||
H2O(g) -1.50 0.00 1.50 H2O
|
||||
O2(g) -39.19 -42.08 -2.89 O2
|
||||
O2(g) -39.17 -42.06 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -160,7 +160,7 @@ Ca 1.623e-03
|
||||
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
|
||||
O2 0.000e+00 0.000e+00 -63.174 -63.174 0.000 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -172,7 +172,7 @@ O(0) 0.000e+00
|
||||
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
|
||||
O2(g) -60.28 -63.17 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -230,112 +230,114 @@ Initial solution 2. Seawater
|
||||
|
||||
pH = 8.220
|
||||
pe = 8.451
|
||||
Specific Conductance (µS/cm, 25°C) = 52856
|
||||
Density (g/cm³) = 1.02328
|
||||
Volume (L) = 1.01278
|
||||
Viscosity (mPa s) = 0.96030
|
||||
Specific Conductance (µS/cm, 25°C) = 52942
|
||||
Density (g/cm³) = 1.02326
|
||||
Volume (L) = 1.01279
|
||||
Viscosity (mPa s) = 0.95735
|
||||
Activity of water = 0.981
|
||||
Ionic strength (mol/kgw) = 6.704e-01
|
||||
Ionic strength (mol/kgw) = 6.736e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 2.238e-03
|
||||
Total CO2 (mol/kg) = 2.238e-03
|
||||
Total carbon (mol/kg) = 2.241e-03
|
||||
Total CO2 (mol/kg) = 2.241e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 7.967e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 8
|
||||
Total H = 1.110148e+02
|
||||
Total O = 5.563026e+01
|
||||
Total O = 5.563027e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
|
||||
H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
|
||||
H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07
|
||||
C(4) 2.238e-03
|
||||
HCO3- 1.541e-03 1.041e-03 -2.812 -2.982 -0.170 25.99
|
||||
MgHCO3+ 2.783e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
|
||||
NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
|
||||
MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
|
||||
CO3-2 3.889e-05 8.104e-06 -4.410 -5.091 -0.681 -0.52
|
||||
CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
|
||||
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 9.96
|
||||
CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43
|
||||
KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03
|
||||
(CO2)2 3.254e-12 3.798e-12 -11.488 -11.420 0.067 68.87
|
||||
OH- 2.705e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63
|
||||
H+ 7.983e-09 6.026e-09 -8.098 -8.220 -0.122 0.00
|
||||
H2O 5.551e+01 9.806e-01 1.744 -0.009 0.000 18.07
|
||||
C(4) 2.241e-03
|
||||
HCO3- 1.549e-03 1.046e-03 -2.810 -2.980 -0.170 25.99
|
||||
MgHCO3+ 2.720e-04 1.711e-04 -3.565 -3.767 -0.201 5.82
|
||||
NaHCO3 2.281e-04 3.111e-04 -3.642 -3.507 0.135 31.73
|
||||
MgCO3 9.298e-05 1.086e-04 -4.032 -3.964 0.067 -17.09
|
||||
CO3-2 3.913e-05 8.142e-06 -4.407 -5.089 -0.682 -0.51
|
||||
CaCO3 2.897e-05 3.383e-05 -4.538 -4.471 0.067 -14.60
|
||||
CaHCO3+ 1.442e-05 9.981e-06 -4.841 -5.001 -0.160 9.96
|
||||
CO2 1.305e-05 1.445e-05 -4.884 -4.840 0.044 34.43
|
||||
KHCO3 2.966e-06 3.009e-06 -5.528 -5.522 0.006 41.03
|
||||
(CO2)2 3.283e-12 3.834e-12 -11.484 -11.416 0.067 68.87
|
||||
Ca 1.066e-02
|
||||
Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70
|
||||
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
|
||||
CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60
|
||||
CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 9.96
|
||||
CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0)
|
||||
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
|
||||
Ca+2 9.891e-03 2.473e-03 -2.005 -2.607 -0.602 -16.70
|
||||
CaSO4 7.262e-04 7.781e-04 -3.139 -3.109 0.030 7.22
|
||||
CaCO3 2.897e-05 3.383e-05 -4.538 -4.471 0.067 -14.60
|
||||
CaHCO3+ 1.442e-05 9.981e-06 -4.841 -5.001 -0.160 9.96
|
||||
CaOH+ 8.946e-08 6.680e-08 -7.048 -7.175 -0.127 (0)
|
||||
CaHSO4+ 5.262e-11 3.929e-11 -10.279 -10.406 -0.127 (0)
|
||||
Cl 5.657e-01
|
||||
Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79
|
||||
HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0)
|
||||
H(0) 5.521e-37
|
||||
H2 2.760e-37 3.221e-37 -36.559 -36.492 0.067 28.61
|
||||
Cl- 5.657e-01 3.569e-01 -0.247 -0.447 -0.200 18.79
|
||||
HCl 3.828e-10 7.408e-10 -9.417 -9.130 0.287 (0)
|
||||
H(0) 5.517e-37
|
||||
H2 2.758e-37 3.221e-37 -36.559 -36.492 0.067 28.61
|
||||
K 1.058e-02
|
||||
K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66
|
||||
KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
|
||||
KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03
|
||||
K+ 1.033e-02 6.440e-03 -1.986 -2.191 -0.205 9.66
|
||||
KSO4- 2.437e-04 2.210e-04 -3.613 -3.656 -0.042 35.14
|
||||
KHCO3 2.966e-06 3.009e-06 -5.528 -5.522 0.006 41.03
|
||||
Mg 5.507e-02
|
||||
Mg+2 4.979e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42
|
||||
MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
|
||||
MgHCO3+ 2.783e-04 1.751e-04 -3.556 -3.757 -0.201 5.82
|
||||
Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
|
||||
MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09
|
||||
MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0)
|
||||
Mg+2 4.842e-02 1.398e-02 -1.315 -1.855 -0.540 -20.41
|
||||
MgSO4 6.052e-03 8.253e-03 -2.218 -2.083 0.135 -0.40
|
||||
MgHCO3+ 2.720e-04 1.711e-04 -3.565 -3.767 -0.201 5.82
|
||||
Mg(SO4)2-2 2.167e-04 6.131e-05 -3.664 -4.212 -0.548 48.71
|
||||
MgCO3 9.298e-05 1.086e-04 -4.032 -3.964 0.067 -17.09
|
||||
MgOH+ 1.172e-05 8.258e-06 -4.931 -5.083 -0.152 (0)
|
||||
Na 4.854e-01
|
||||
Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51
|
||||
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
|
||||
NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73
|
||||
O(0) 6.622e-20
|
||||
O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40
|
||||
Na+ 4.758e-01 3.414e-01 -0.323 -0.467 -0.144 -0.50
|
||||
NaSO4- 9.406e-03 6.765e-03 -2.027 -2.170 -0.143 21.71
|
||||
NaHCO3 2.281e-04 3.111e-04 -3.642 -3.507 0.135 31.73
|
||||
Na2SO4 9.817e-07 1.126e-06 -6.008 -5.948 0.060 47.96
|
||||
O(0) 6.888e-20
|
||||
O2 3.444e-20 4.022e-20 -19.463 -19.396 0.067 30.40
|
||||
S(6) 2.926e-02
|
||||
NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22
|
||||
SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.42
|
||||
MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92
|
||||
CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50
|
||||
KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34
|
||||
Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91
|
||||
HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96
|
||||
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
|
||||
SO4-2 1.240e-02 2.255e-03 -1.907 -2.647 -0.740 17.12
|
||||
NaSO4- 9.406e-03 6.765e-03 -2.027 -2.170 -0.143 21.71
|
||||
MgSO4 6.052e-03 8.253e-03 -2.218 -2.083 0.135 -0.40
|
||||
CaSO4 7.262e-04 7.781e-04 -3.139 -3.109 0.030 7.22
|
||||
KSO4- 2.437e-04 2.210e-04 -3.613 -3.656 -0.042 35.14
|
||||
Mg(SO4)2-2 2.167e-04 6.131e-05 -3.664 -4.212 -0.548 48.71
|
||||
Na2SO4 9.817e-07 1.126e-06 -6.008 -5.948 0.060 47.96
|
||||
HSO4- 1.769e-09 1.321e-09 -8.752 -8.879 -0.127 40.96
|
||||
CaHSO4+ 5.262e-11 3.929e-11 -10.279 -10.406 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0)
|
||||
H4SiO4 7.061e-05 8.246e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.208e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.095e-10 2.278e-11 -9.961 -10.642 -0.682 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.09 -5.37 -4.28 CaSO4
|
||||
Aragonite 0.64 -7.69 -8.34 CaCO3
|
||||
Arcanite -5.26 -7.14 -1.88 K2SO4
|
||||
Calcite 0.79 -7.69 -8.48 CaCO3
|
||||
Anhydrite -0.94 -5.25 -4.31 CaSO4
|
||||
Aragonite 0.64 -7.70 -8.34 CaCO3
|
||||
Arcanite -5.15 -7.03 -1.88 K2SO4
|
||||
Calcite 0.78 -7.70 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.41 35.62 32.20 Mg3Si2O5(OH)4
|
||||
Chrysotile 3.38 35.58 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.37 -4.84 -1.47 CO2
|
||||
Dolomite 2.46 -14.63 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.80 -5.38 -4.58 CaSO4:2H2O
|
||||
Dolomite 2.44 -14.64 -17.08 CaMg(CO3)2
|
||||
Epsomite -2.82 -4.56 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.72 -5.27 -4.55 CaSO4:2H2O
|
||||
H2(g) -33.39 -36.49 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.49 -0.92 1.57 NaCl
|
||||
Hexahydrite -3.09 -4.66 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.45 -4.62 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.55 -3.79 -1.24 Na2SO4:10H2O
|
||||
O2(g) -16.52 -19.41 -2.89 O2
|
||||
Halite -2.48 -0.91 1.57 NaCl
|
||||
Hexahydrite -2.99 -4.55 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.35 -4.51 -1.16 MgSO4:H2O
|
||||
Mirabilite -2.96 -3.67 -0.71 Na2SO4:10H2O
|
||||
O2(g) -16.50 -19.40 -2.89 O2
|
||||
Quartz -0.09 -4.07 -3.98 SiO2
|
||||
Sepiolite 1.19 16.95 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.71 16.95 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.36 -4.07 -2.71 SiO2
|
||||
Sepiolite 1.16 16.92 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.74 16.92 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.35 -4.07 -2.71 SiO2
|
||||
Sylvite -3.54 -2.64 0.90 KCl
|
||||
Talc 6.09 27.49 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -3.41 -3.71 -0.30 Na2SO4
|
||||
Talc 6.06 27.46 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.23 -3.58 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -388,21 +390,21 @@ Mixture 1.
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.327 Charge balance
|
||||
pe = 10.559 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18310
|
||||
Density (g/cm³) = 1.00527
|
||||
Volume (L) = 1.00578
|
||||
Viscosity (mPa s) = 0.91375
|
||||
pH = 7.325 Charge balance
|
||||
pe = 10.568 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18307
|
||||
Density (g/cm³) = 1.00525
|
||||
Volume (L) = 1.00579
|
||||
Viscosity (mPa s) = 0.91318
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.068e-01
|
||||
Ionic strength (mol/kgw) = 2.079e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 2.994e-03
|
||||
Total CO2 (mol/kg) = 3.175e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 14
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554957e+01
|
||||
|
||||
@ -411,101 +413,103 @@ Mixture 1.
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 3.031e-07 2.134e-07 -6.518 -6.671 -0.152 -3.48
|
||||
H+ 5.921e-08 4.715e-08 -7.228 -7.327 -0.099 0.00
|
||||
OH- 3.025e-07 2.129e-07 -6.519 -6.672 -0.153 -3.48
|
||||
H+ 5.938e-08 4.727e-08 -7.226 -7.325 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -122.396 -122.375 0.021 35.46
|
||||
CH4 0.000e+00 0.000e+00 -122.455 -122.434 0.021 35.46
|
||||
C(4) 3.175e-03
|
||||
HCO3- 2.615e-03 1.945e-03 -2.583 -2.711 -0.128 25.15
|
||||
CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43
|
||||
NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73
|
||||
MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72
|
||||
CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 9.88
|
||||
MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09
|
||||
CO3-2 6.313e-06 1.935e-06 -5.200 -5.713 -0.514 -2.19
|
||||
CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60
|
||||
KHCO3 1.915e-06 1.924e-06 -5.718 -5.716 0.002 41.03
|
||||
(CO2)2 7.531e-10 7.898e-10 -9.123 -9.102 0.021 68.87
|
||||
HCO3- 2.616e-03 1.946e-03 -2.582 -2.711 -0.129 25.15
|
||||
CO2 2.016e-04 2.080e-04 -3.696 -3.682 0.014 34.43
|
||||
NaHCO3 1.650e-04 1.816e-04 -3.782 -3.741 0.042 31.73
|
||||
MgHCO3+ 1.585e-04 1.134e-04 -3.800 -3.945 -0.145 5.72
|
||||
CaHCO3+ 1.287e-05 9.706e-06 -4.890 -5.013 -0.122 9.88
|
||||
MgCO3 8.746e-06 9.174e-06 -5.058 -5.037 0.021 -17.09
|
||||
CO3-2 6.309e-06 1.931e-06 -5.200 -5.714 -0.514 -2.18
|
||||
CaCO3 3.998e-06 4.194e-06 -5.398 -5.377 0.021 -14.60
|
||||
KHCO3 1.909e-06 1.918e-06 -5.719 -5.717 0.002 41.03
|
||||
(CO2)2 7.573e-10 7.945e-10 -9.121 -9.100 0.021 68.87
|
||||
Ca 4.334e-03
|
||||
Ca+2 4.054e-03 1.291e-03 -2.392 -2.889 -0.497 -17.20
|
||||
CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50
|
||||
CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 9.88
|
||||
CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60
|
||||
CaOH+ 6.063e-09 4.517e-09 -8.217 -8.345 -0.128 (0)
|
||||
CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0)
|
||||
Ca+2 4.066e-03 1.293e-03 -2.391 -2.888 -0.498 -17.20
|
||||
CaSO4 2.509e-04 2.563e-04 -3.600 -3.591 0.009 7.22
|
||||
CaHCO3+ 1.287e-05 9.706e-06 -4.890 -5.013 -0.122 9.88
|
||||
CaCO3 3.998e-06 4.194e-06 -5.398 -5.377 0.021 -14.60
|
||||
CaOH+ 6.059e-09 4.513e-09 -8.218 -8.346 -0.128 (0)
|
||||
CaHSO4+ 1.363e-10 1.015e-10 -9.865 -9.993 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46
|
||||
HCl 1.605e-09 1.965e-09 -8.795 -8.707 0.088 (0)
|
||||
H(0) 2.283e-39
|
||||
H2 1.142e-39 1.197e-39 -38.942 -38.922 0.021 28.61
|
||||
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
|
||||
HCl 1.607e-09 1.970e-09 -8.794 -8.706 0.088 (0)
|
||||
H(0) 2.205e-39
|
||||
H2 1.103e-39 1.157e-39 -38.958 -38.937 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35
|
||||
KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03
|
||||
KHCO3 1.915e-06 1.924e-06 -5.718 -5.716 0.002 41.03
|
||||
K+ 3.113e-03 2.207e-03 -2.507 -2.656 -0.149 9.35
|
||||
KSO4- 5.857e-05 4.771e-05 -4.232 -4.321 -0.089 28.76
|
||||
KHCO3 1.909e-06 1.918e-06 -5.719 -5.717 0.002 41.03
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.488e-02 5.065e-03 -1.827 -2.295 -0.468 -20.91
|
||||
MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92
|
||||
MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72
|
||||
Mg(SO4)2-2 1.764e-05 6.349e-06 -4.754 -5.197 -0.444 24.64
|
||||
MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09
|
||||
MgOH+ 5.085e-07 3.878e-07 -6.294 -6.411 -0.118 (0)
|
||||
Mg+2 1.464e-02 4.980e-03 -1.834 -2.303 -0.468 -20.91
|
||||
MgSO4 1.684e-03 1.853e-03 -2.774 -2.732 0.042 -0.40
|
||||
MgHCO3+ 1.585e-04 1.134e-04 -3.800 -3.945 -0.145 5.72
|
||||
Mg(SO4)2-2 2.413e-05 8.674e-06 -4.617 -5.062 -0.444 45.19
|
||||
MgCO3 8.746e-06 9.174e-06 -5.058 -5.037 0.021 -17.09
|
||||
MgOH+ 4.988e-07 3.802e-07 -6.302 -6.420 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92
|
||||
NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
|
||||
NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73
|
||||
O(0) 5.481e-15
|
||||
O2 2.740e-15 2.874e-15 -14.562 -14.541 0.021 30.40
|
||||
Na+ 1.437e-01 1.072e-01 -0.843 -0.970 -0.127 -0.92
|
||||
NaSO4- 1.806e-03 1.338e-03 -2.743 -2.874 -0.130 19.24
|
||||
NaHCO3 1.650e-04 1.816e-04 -3.782 -3.741 0.042 31.73
|
||||
Na2SO4 6.700e-08 6.990e-08 -7.174 -7.156 0.018 47.96
|
||||
O(0) 6.112e-15
|
||||
O2 3.056e-15 3.206e-15 -14.515 -14.494 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.520 -119.672 -0.152 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.078 -120.057 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -124.733 -125.264 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -241.413 -241.393 0.021 30.09
|
||||
HS- 0.000e+00 0.000e+00 -119.507 -119.660 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.064 -120.044 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -124.720 -125.252 -0.532 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -241.386 -241.365 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42
|
||||
NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72
|
||||
MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92
|
||||
CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50
|
||||
KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03
|
||||
Mg(SO4)2-2 1.764e-05 6.349e-06 -4.754 -5.197 -0.444 24.64
|
||||
HSO4- 7.416e-09 5.526e-09 -8.130 -8.258 -0.128 40.66
|
||||
CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0)
|
||||
SO4-2 4.930e-03 1.421e-03 -2.307 -2.847 -0.540 15.57
|
||||
NaSO4- 1.806e-03 1.338e-03 -2.743 -2.874 -0.130 19.24
|
||||
MgSO4 1.684e-03 1.853e-03 -2.774 -2.732 0.042 -0.40
|
||||
CaSO4 2.509e-04 2.563e-04 -3.600 -3.591 0.009 7.22
|
||||
KSO4- 5.857e-05 4.771e-05 -4.232 -4.321 -0.089 28.76
|
||||
Mg(SO4)2-2 2.413e-05 8.674e-06 -4.617 -5.062 -0.444 45.19
|
||||
Na2SO4 6.700e-08 6.990e-08 -7.174 -7.156 0.018 47.96
|
||||
HSO4- 8.768e-09 6.531e-09 -8.057 -8.185 -0.128 40.66
|
||||
CaHSO4+ 1.363e-10 1.015e-10 -9.865 -9.993 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.205e-05 2.312e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.010e-07 7.231e-08 -6.996 -7.141 -0.145 28.37
|
||||
H2SiO4-2 3.404e-13 1.043e-13 -12.468 -12.982 -0.514 (0)
|
||||
H4SiO4 2.205e-05 2.313e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.008e-07 7.214e-08 -6.996 -7.142 -0.145 28.37
|
||||
H2SiO4-2 3.393e-13 1.038e-13 -12.469 -12.984 -0.514 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.53 -5.81 -4.28 CaSO4
|
||||
Anhydrite -1.42 -5.74 -4.31 CaSO4
|
||||
Aragonite -0.27 -8.60 -8.34 CaCO3
|
||||
Arcanite -6.35 -8.23 -1.88 K2SO4
|
||||
Arcanite -6.28 -8.16 -1.88 K2SO4
|
||||
Calcite -0.12 -8.60 -8.48 CaCO3
|
||||
CH4(g) -119.57 -122.37 -2.80 CH4
|
||||
CH4(g) -119.63 -122.43 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -4.40 27.80 32.20 Mg3Si2O5(OH)4
|
||||
Chrysotile -4.43 27.77 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.21 -3.68 -1.47 CO2
|
||||
Dolomite 0.47 -16.61 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.82 -38.92 -3.10 H2
|
||||
Dolomite 0.46 -16.62 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.43 -5.17 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.19 -5.74 -4.55 CaSO4:2H2O
|
||||
H2(g) -35.84 -38.94 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -119.06 -127.00 -7.94 H2S
|
||||
H2S(g) -119.05 -126.99 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.06 -5.22 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O
|
||||
O2(g) -11.65 -14.54 -2.89 O2
|
||||
Hexahydrite -3.60 -5.17 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.99 -5.15 -1.16 MgSO4:H2O
|
||||
Mirabilite -4.11 -4.81 -0.71 Na2SO4:10H2O
|
||||
O2(g) -11.60 -14.49 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -4.97 10.79 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.87 10.79 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -89.17 -84.29 4.88 S
|
||||
Sulfur -89.14 -84.26 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.56 -4.86 -0.30 Na2SO4
|
||||
Talc -2.89 18.51 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -5.44 -4.79 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -544,142 +548,144 @@ 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 9.985e+00 -1.541e-02
|
||||
Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.985e+00 -1.521e-02
|
||||
Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.684e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.016e-03 3.016e-03
|
||||
Ca 1.196e-02 1.196e-02
|
||||
C 3.020e-03 3.020e-03
|
||||
Ca 1.186e-02 1.186e-02
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 8.734e-03 8.734e-03
|
||||
Mg 8.836e-03 8.836e-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 = 7.047 Charge balance
|
||||
pe = 10.928 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18478
|
||||
pH = 7.050 Charge balance
|
||||
pe = 10.837 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18488
|
||||
Density (g/cm³) = 1.00533
|
||||
Volume (L) = 1.00582
|
||||
Viscosity (mPa s) = 0.91253
|
||||
Volume (L) = 1.00583
|
||||
Viscosity (mPa s) = 0.91208
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.071e-01
|
||||
Ionic strength (mol/kgw) = 2.086e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 2.677e-03
|
||||
Total CO2 (mol/kg) = 3.016e-03
|
||||
Total alkalinity (eq/kg) = 2.682e-03
|
||||
Total CO2 (mol/kg) = 3.020e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 5
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554910e+01
|
||||
Total O = 5.554911e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 1.593e-07 1.121e-07 -6.798 -6.950 -0.152 -3.48
|
||||
H+ 1.127e-07 8.972e-08 -6.948 -7.047 -0.099 0.00
|
||||
OH- 1.605e-07 1.129e-07 -6.795 -6.947 -0.153 -3.48
|
||||
H+ 1.120e-07 8.914e-08 -6.951 -7.050 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -122.866 -122.845 0.021 35.46
|
||||
C(4) 3.016e-03
|
||||
HCO3- 2.394e-03 1.781e-03 -2.621 -2.749 -0.128 25.15
|
||||
CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43
|
||||
NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73
|
||||
MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72
|
||||
CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 9.88
|
||||
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
CO3-2 3.038e-06 9.308e-07 -5.517 -6.031 -0.514 -2.19
|
||||
MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
|
||||
KHCO3 1.752e-06 1.760e-06 -5.756 -5.754 0.002 41.03
|
||||
(CO2)2 2.285e-09 2.397e-09 -8.641 -8.620 0.021 68.87
|
||||
Ca 1.196e-02
|
||||
Ca+2 1.118e-02 3.558e-03 -1.952 -2.449 -0.497 -17.20
|
||||
CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50
|
||||
CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 9.88
|
||||
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 8.781e-09 6.542e-09 -8.056 -8.184 -0.128 (0)
|
||||
CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0)
|
||||
CH4 0.000e+00 0.000e+00 -122.163 -122.142 0.021 35.46
|
||||
C(4) 3.020e-03
|
||||
HCO3- 2.398e-03 1.783e-03 -2.620 -2.749 -0.129 25.15
|
||||
CO2 3.483e-04 3.595e-04 -3.458 -3.444 0.014 34.43
|
||||
NaHCO3 1.511e-04 1.663e-04 -3.821 -3.779 0.042 31.73
|
||||
MgHCO3+ 7.738e-05 5.534e-05 -4.111 -4.257 -0.146 5.72
|
||||
CaHCO3+ 3.220e-05 2.428e-05 -4.492 -4.615 -0.123 9.88
|
||||
CaCO3 5.302e-06 5.563e-06 -5.276 -5.255 0.021 -14.60
|
||||
CO3-2 3.069e-06 9.382e-07 -5.513 -6.028 -0.515 -2.18
|
||||
MgCO3 2.263e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
|
||||
KHCO3 1.748e-06 1.756e-06 -5.758 -5.756 0.002 41.03
|
||||
(CO2)2 2.261e-09 2.372e-09 -8.646 -8.625 0.021 68.87
|
||||
Ca 1.186e-02
|
||||
Ca+2 1.111e-02 3.530e-03 -1.954 -2.452 -0.498 -17.20
|
||||
CaSO4 7.150e-04 7.304e-04 -3.146 -3.136 0.009 7.22
|
||||
CaHCO3+ 3.220e-05 2.428e-05 -4.492 -4.615 -0.123 9.88
|
||||
CaCO3 5.302e-06 5.563e-06 -5.276 -5.255 0.021 -14.60
|
||||
CaOH+ 8.772e-09 6.533e-09 -8.057 -8.185 -0.128 (0)
|
||||
CaHSO4+ 7.326e-10 5.456e-10 -9.135 -9.263 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
|
||||
HCl 3.053e-09 3.740e-09 -8.515 -8.427 0.088 (0)
|
||||
H(0) 1.516e-39
|
||||
H2 7.579e-40 7.949e-40 -39.120 -39.100 0.021 28.61
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
HCl 3.026e-09 3.713e-09 -8.519 -8.430 0.089 (0)
|
||||
H(0) 2.275e-39
|
||||
H2 1.137e-39 1.193e-39 -38.944 -38.923 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35
|
||||
KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03
|
||||
KHCO3 1.752e-06 1.760e-06 -5.756 -5.754 0.002 41.03
|
||||
Mg 8.734e-03
|
||||
Mg+2 7.855e-03 2.674e-03 -2.105 -2.573 -0.468 -20.91
|
||||
MgSO4 7.885e-04 8.675e-04 -3.103 -3.062 0.041 -7.92
|
||||
MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72
|
||||
Mg(SO4)2-2 9.841e-06 3.541e-06 -5.007 -5.451 -0.444 24.65
|
||||
MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
|
||||
MgOH+ 1.410e-07 1.076e-07 -6.851 -6.968 -0.118 (0)
|
||||
K+ 3.111e-03 2.204e-03 -2.507 -2.657 -0.150 9.35
|
||||
KSO4- 6.108e-05 4.975e-05 -4.214 -4.303 -0.089 28.78
|
||||
KHCO3 1.748e-06 1.756e-06 -5.758 -5.756 0.002 41.03
|
||||
Mg 8.836e-03
|
||||
Mg+2 7.806e-03 2.652e-03 -2.108 -2.576 -0.469 -20.91
|
||||
MgSO4 9.360e-04 1.030e-03 -3.029 -2.987 0.042 -0.40
|
||||
MgHCO3+ 7.738e-05 5.534e-05 -4.111 -4.257 -0.146 5.72
|
||||
Mg(SO4)2-2 1.402e-05 5.035e-06 -4.853 -5.298 -0.445 45.20
|
||||
MgCO3 2.263e-06 2.375e-06 -5.645 -5.624 0.021 -17.09
|
||||
MgOH+ 1.409e-07 1.074e-07 -6.851 -6.969 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92
|
||||
NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71
|
||||
NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73
|
||||
O(0) 1.243e-14
|
||||
O2 6.216e-15 6.519e-15 -14.207 -14.186 0.021 30.40
|
||||
Na+ 1.436e-01 1.071e-01 -0.843 -0.970 -0.127 -0.92
|
||||
NaSO4- 1.884e-03 1.396e-03 -2.725 -2.855 -0.130 19.24
|
||||
NaHCO3 1.511e-04 1.663e-04 -3.821 -3.779 0.042 31.73
|
||||
Na2SO4 6.984e-08 7.287e-08 -7.156 -7.137 0.018 47.96
|
||||
O(0) 5.741e-15
|
||||
O2 2.870e-15 3.012e-15 -14.542 -14.521 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.940 -120.092 -0.152 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.218 -120.198 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -125.432 -125.963 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -241.694 -241.674 0.021 30.09
|
||||
HS- 0.000e+00 0.000e+00 -119.159 -119.311 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -119.440 -119.420 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -124.647 -125.179 -0.532 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -240.138 -240.117 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.43
|
||||
NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71
|
||||
MgSO4 7.885e-04 8.675e-04 -3.103 -3.062 0.041 -7.92
|
||||
CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50
|
||||
KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03
|
||||
Mg(SO4)2-2 9.841e-06 3.541e-06 -5.007 -5.451 -0.444 24.65
|
||||
HSO4- 1.451e-08 1.081e-08 -7.838 -7.966 -0.128 40.66
|
||||
CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0)
|
||||
SO4-2 5.153e-03 1.484e-03 -2.288 -2.829 -0.541 15.57
|
||||
NaSO4- 1.884e-03 1.396e-03 -2.725 -2.855 -0.130 19.24
|
||||
MgSO4 9.360e-04 1.030e-03 -3.029 -2.987 0.042 -0.40
|
||||
CaSO4 7.150e-04 7.304e-04 -3.146 -3.136 0.009 7.22
|
||||
KSO4- 6.108e-05 4.975e-05 -4.214 -4.303 -0.089 28.78
|
||||
Mg(SO4)2-2 1.402e-05 5.035e-06 -4.853 -5.298 -0.445 45.20
|
||||
Na2SO4 6.984e-08 7.287e-08 -7.156 -7.137 0.018 47.96
|
||||
HSO4- 1.726e-08 1.286e-08 -7.763 -7.891 -0.128 40.66
|
||||
CaHSO4+ 7.326e-10 5.456e-10 -9.135 -9.263 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.209e-05 2.317e-05 -4.656 -4.635 0.021 52.08
|
||||
H3SiO4- 5.321e-08 3.808e-08 -7.274 -7.419 -0.145 28.37
|
||||
H2SiO4-2 9.424e-14 2.887e-14 -13.026 -13.540 -0.514 (0)
|
||||
H4SiO4 2.209e-05 2.318e-05 -4.656 -4.635 0.021 52.08
|
||||
H3SiO4- 5.362e-08 3.834e-08 -7.271 -7.416 -0.146 28.37
|
||||
H2SiO4-2 9.573e-14 2.926e-14 -13.019 -13.534 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.08 -5.36 -4.28 CaSO4
|
||||
Anhydrite -0.97 -5.28 -4.31 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Arcanite -6.34 -8.22 -1.88 K2SO4
|
||||
Arcanite -6.26 -8.14 -1.88 K2SO4
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -120.04 -122.85 -2.80 CH4
|
||||
CH4(g) -119.34 -122.14 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -6.91 25.29 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.97 -3.44 -1.47 CO2
|
||||
Chrysotile -6.90 25.30 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.98 -3.44 -1.47 CO2
|
||||
Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.76 -5.50 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.78 -5.36 -4.58 CaSO4:2H2O
|
||||
H2(g) -36.00 -39.10 -3.10 H2
|
||||
Epsomite -3.68 -5.42 -1.74 MgSO4:7H2O
|
||||
Gypsum -0.74 -5.29 -4.55 CaSO4:2H2O
|
||||
H2(g) -35.82 -38.92 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -119.20 -127.14 -7.94 H2S
|
||||
H2S(g) -118.43 -126.36 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.32 -5.48 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O
|
||||
O2(g) -11.29 -14.19 -2.89 O2
|
||||
Hexahydrite -3.85 -5.42 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.25 -5.41 -1.16 MgSO4:H2O
|
||||
Mirabilite -4.09 -4.79 -0.71 Na2SO4:10H2O
|
||||
O2(g) -11.63 -14.52 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -89.13 -84.25 4.88 S
|
||||
Sulfur -88.53 -83.65 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -5.36 16.03 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.55 -4.85 -0.30 Na2SO4
|
||||
Talc -5.36 16.04 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -5.42 -4.77 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -717,13 +723,13 @@ 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 -4.587e-05
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.599e-05
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.221e-03 3.220e-03
|
||||
C 3.221e-03 3.221e-03
|
||||
Ca 4.380e-03 4.380e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
@ -734,20 +740,20 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.433 Charge balance
|
||||
pe = 10.542 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18314
|
||||
Density (g/cm³) = 1.00527
|
||||
Volume (L) = 1.00578
|
||||
Viscosity (mPa s) = 0.91382
|
||||
pH = 7.432 Charge balance
|
||||
pe = 10.454 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 18311
|
||||
Density (g/cm³) = 1.00526
|
||||
Volume (L) = 1.00579
|
||||
Viscosity (mPa s) = 0.91325
|
||||
Activity of water = 0.994
|
||||
Ionic strength (mol/kgw) = 2.069e-01
|
||||
Ionic strength (mol/kgw) = 2.080e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.085e-03
|
||||
Total alkalinity (eq/kg) = 3.086e-03
|
||||
Total CO2 (mol/kg) = 3.221e-03
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 3
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554971e+01
|
||||
@ -757,101 +763,103 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
OH- 3.874e-07 2.728e-07 -6.412 -6.564 -0.152 -3.48
|
||||
H+ 4.632e-08 3.688e-08 -7.334 -7.433 -0.099 0.00
|
||||
OH- 3.868e-07 2.722e-07 -6.413 -6.565 -0.153 -3.48
|
||||
H+ 4.644e-08 3.697e-08 -7.333 -7.432 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -123.204 -123.183 0.021 35.46
|
||||
CH4 0.000e+00 0.000e+00 -122.495 -122.474 0.021 35.46
|
||||
C(4) 3.221e-03
|
||||
HCO3- 2.685e-03 1.998e-03 -2.571 -2.699 -0.128 25.15
|
||||
NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
|
||||
MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72
|
||||
CO2 1.615e-04 1.666e-04 -3.792 -3.778 0.014 34.43
|
||||
CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 9.88
|
||||
MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09
|
||||
CO3-2 8.287e-06 2.540e-06 -5.082 -5.595 -0.514 -2.19
|
||||
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
KHCO3 1.967e-06 1.975e-06 -5.706 -5.704 0.002 41.03
|
||||
(CO2)2 4.860e-10 5.097e-10 -9.313 -9.293 0.021 68.87
|
||||
HCO3- 2.687e-03 1.998e-03 -2.571 -2.699 -0.129 25.15
|
||||
NaHCO3 1.695e-04 1.865e-04 -3.771 -3.729 0.042 31.73
|
||||
MgHCO3+ 1.627e-04 1.164e-04 -3.789 -3.934 -0.145 5.72
|
||||
CO2 1.619e-04 1.671e-04 -3.791 -3.777 0.014 34.43
|
||||
CaHCO3+ 1.335e-05 1.007e-05 -4.875 -4.997 -0.123 9.88
|
||||
MgCO3 1.148e-05 1.204e-05 -4.940 -4.919 0.021 -17.09
|
||||
CO3-2 8.287e-06 2.535e-06 -5.082 -5.596 -0.514 -2.18
|
||||
CaCO3 5.303e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
KHCO3 1.961e-06 1.970e-06 -5.708 -5.706 0.002 41.03
|
||||
(CO2)2 4.884e-10 5.124e-10 -9.311 -9.290 0.021 68.87
|
||||
Ca 4.380e-03
|
||||
Ca+2 4.095e-03 1.304e-03 -2.388 -2.885 -0.497 -17.20
|
||||
CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50
|
||||
CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 9.88
|
||||
CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 7.828e-09 5.832e-09 -8.106 -8.234 -0.128 (0)
|
||||
CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0)
|
||||
Ca+2 4.108e-03 1.306e-03 -2.386 -2.884 -0.498 -17.20
|
||||
CaSO4 2.534e-04 2.589e-04 -3.596 -3.587 0.009 7.22
|
||||
CaHCO3+ 1.335e-05 1.007e-05 -4.875 -4.997 -0.123 9.88
|
||||
CaCO3 5.303e-06 5.563e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 7.826e-09 5.830e-09 -8.106 -8.234 -0.128 (0)
|
||||
CaHSO4+ 1.076e-10 8.018e-11 -9.968 -10.096 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47
|
||||
HCl 1.255e-09 1.538e-09 -8.901 -8.813 0.088 (0)
|
||||
H(0) 1.514e-39
|
||||
H2 7.572e-40 7.942e-40 -39.121 -39.100 0.021 28.61
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.917 -0.147 18.47
|
||||
HCl 1.256e-09 1.540e-09 -8.901 -8.812 0.089 (0)
|
||||
H(0) 2.275e-39
|
||||
H2 1.138e-39 1.194e-39 -38.944 -38.923 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35
|
||||
KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03
|
||||
KHCO3 1.967e-06 1.975e-06 -5.706 -5.704 0.002 41.03
|
||||
K+ 3.113e-03 2.206e-03 -2.507 -2.656 -0.149 9.35
|
||||
KSO4- 5.855e-05 4.770e-05 -4.232 -4.322 -0.089 28.76
|
||||
KHCO3 1.961e-06 1.970e-06 -5.708 -5.706 0.002 41.03
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.487e-02 5.063e-03 -1.828 -2.296 -0.468 -20.91
|
||||
MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92
|
||||
MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72
|
||||
Mg(SO4)2-2 1.762e-05 6.342e-06 -4.754 -5.198 -0.444 24.64
|
||||
MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09
|
||||
MgOH+ 6.496e-07 4.954e-07 -6.187 -6.305 -0.118 (0)
|
||||
Mg+2 1.464e-02 4.977e-03 -1.834 -2.303 -0.469 -20.91
|
||||
MgSO4 1.682e-03 1.852e-03 -2.774 -2.732 0.042 -0.40
|
||||
MgHCO3+ 1.627e-04 1.164e-04 -3.789 -3.934 -0.145 5.72
|
||||
Mg(SO4)2-2 2.411e-05 8.664e-06 -4.618 -5.062 -0.444 45.19
|
||||
MgCO3 1.148e-05 1.204e-05 -4.940 -4.919 0.021 -17.09
|
||||
MgOH+ 6.375e-07 4.860e-07 -6.196 -6.313 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92
|
||||
NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72
|
||||
NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73
|
||||
O(0) 1.246e-14
|
||||
O2 6.228e-15 6.532e-15 -14.206 -14.185 0.021 30.40
|
||||
Na+ 1.437e-01 1.072e-01 -0.843 -0.970 -0.127 -0.92
|
||||
NaSO4- 1.805e-03 1.337e-03 -2.743 -2.874 -0.130 19.24
|
||||
NaHCO3 1.695e-04 1.865e-04 -3.771 -3.729 0.042 31.73
|
||||
Na2SO4 6.697e-08 6.987e-08 -7.174 -7.156 0.018 47.96
|
||||
O(0) 5.739e-15
|
||||
O2 2.869e-15 3.010e-15 -14.542 -14.521 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -120.340 -120.492 -0.152 21.00
|
||||
H2S 0.000e+00 0.000e+00 -121.004 -120.984 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -125.446 -125.977 -0.531 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -243.266 -243.245 0.021 30.09
|
||||
HS- 0.000e+00 0.000e+00 -119.559 -119.712 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.223 -120.203 0.021 36.27
|
||||
S-2 0.000e+00 0.000e+00 -124.666 -125.198 -0.532 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -241.704 -241.683 0.021 30.09
|
||||
S(6) 8.777e-03
|
||||
SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43
|
||||
NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72
|
||||
MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92
|
||||
CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50
|
||||
KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03
|
||||
Mg(SO4)2-2 1.762e-05 6.342e-06 -4.754 -5.198 -0.444 24.64
|
||||
HSO4- 5.801e-09 4.322e-09 -8.237 -8.364 -0.128 40.66
|
||||
CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0)
|
||||
SO4-2 4.930e-03 1.421e-03 -2.307 -2.847 -0.540 15.57
|
||||
NaSO4- 1.805e-03 1.337e-03 -2.743 -2.874 -0.130 19.24
|
||||
MgSO4 1.682e-03 1.852e-03 -2.774 -2.732 0.042 -0.40
|
||||
CaSO4 2.534e-04 2.589e-04 -3.596 -3.587 0.009 7.22
|
||||
KSO4- 5.855e-05 4.770e-05 -4.232 -4.322 -0.089 28.76
|
||||
Mg(SO4)2-2 2.411e-05 8.664e-06 -4.618 -5.062 -0.444 45.19
|
||||
Na2SO4 6.697e-08 6.987e-08 -7.174 -7.156 0.018 47.96
|
||||
HSO4- 6.855e-09 5.106e-09 -8.164 -8.292 -0.128 40.66
|
||||
CaHSO4+ 1.076e-10 8.018e-11 -9.968 -10.096 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.202e-05 2.309e-05 -4.657 -4.637 0.021 52.08
|
||||
H3SiO4- 1.290e-07 9.232e-08 -6.890 -7.035 -0.145 28.37
|
||||
H2SiO4-2 5.555e-13 1.703e-13 -12.255 -12.769 -0.514 (0)
|
||||
H4SiO4 2.202e-05 2.310e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.288e-07 9.214e-08 -6.890 -7.036 -0.145 28.37
|
||||
H2SiO4-2 5.542e-13 1.696e-13 -12.256 -12.771 -0.514 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.53 -5.80 -4.28 CaSO4
|
||||
Anhydrite -1.42 -5.73 -4.31 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Arcanite -6.35 -8.23 -1.88 K2SO4
|
||||
Arcanite -6.28 -8.16 -1.88 K2SO4
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -120.38 -123.18 -2.80 CH4
|
||||
CH4(g) -119.67 -122.47 -2.80 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -3.76 28.44 32.20 Mg3Si2O5(OH)4
|
||||
Chrysotile -3.79 28.41 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.31 -3.78 -1.47 CO2
|
||||
Dolomite 0.71 -16.37 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O
|
||||
H2(g) -36.00 -39.10 -3.10 H2
|
||||
Dolomite 0.71 -16.38 -17.08 CaMg(CO3)2
|
||||
Epsomite -3.43 -5.17 -1.74 MgSO4:7H2O
|
||||
Gypsum -1.19 -5.74 -4.55 CaSO4:2H2O
|
||||
H2(g) -35.82 -38.92 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -119.99 -127.93 -7.94 H2S
|
||||
H2S(g) -119.21 -127.14 -7.94 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -4.06 -5.22 -1.16 MgSO4:H2O
|
||||
Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O
|
||||
O2(g) -11.29 -14.18 -2.89 O2
|
||||
Hexahydrite -3.60 -5.17 -1.57 MgSO4:6H2O
|
||||
Kieserite -3.99 -5.15 -1.16 MgSO4:H2O
|
||||
Mirabilite -4.11 -4.81 -0.71 Na2SO4:10H2O
|
||||
O2(g) -11.63 -14.52 -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 -4.55 11.21 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.45 11.21 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -89.92 -85.03 4.88 S
|
||||
Sulfur -89.31 -84.43 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -2.22 19.18 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -4.56 -4.86 -0.30 Na2SO4
|
||||
Talc -2.25 19.15 21.40 Mg3Si4O10(OH)2
|
||||
Thenardite -5.44 -4.79 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
|
||||
290
ex4.out
290
ex4.out
@ -75,7 +75,7 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
Volume (L) = 1.00297
|
||||
Viscosity (mPa s) = 0.89009
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 8.839e-05
|
||||
Ionic strength (mol/kgw) = 8.841e-05
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -3.185e-05
|
||||
Total CO2 (mol/kg) = 1.091e-05
|
||||
@ -103,21 +103,21 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
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 24.56
|
||||
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 9.65
|
||||
CaHCO3+ 5.404e-12 5.346e-12 -11.267 -11.272 -0.005 9.65
|
||||
MgHCO3+ 3.022e-12 2.989e-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 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
|
||||
NaHCO3 7.996e-13 7.996e-13 -12.097 -12.097 0.000 31.73
|
||||
CO3-2 2.344e-13 2.244e-13 -12.630 -12.649 -0.019 -4.02
|
||||
KHCO3 6.155e-14 6.155e-14 -13.211 -13.211 0.000 41.03
|
||||
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
|
||||
MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
|
||||
CaCO3 3.453e-15 3.453e-15 -14.462 -14.462 0.000 -14.60
|
||||
MgCO3 3.615e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
|
||||
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+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 9.65
|
||||
CaHSO4+ 4.408e-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 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
|
||||
Ca+2 9.564e-06 9.158e-06 -5.019 -5.038 -0.019 -18.22
|
||||
CaSO4 1.647e-08 1.647e-08 -7.783 -7.783 0.000 7.22
|
||||
CaHCO3+ 5.404e-12 5.346e-12 -11.267 -11.272 -0.005 9.65
|
||||
CaHSO4+ 4.412e-12 4.364e-12 -11.355 -11.360 -0.005 (0)
|
||||
CaOH+ 4.859e-14 4.806e-14 -13.313 -13.318 -0.005 (0)
|
||||
CaCO3 3.453e-15 3.453e-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
|
||||
HCl 7.172e-11 7.173e-11 -10.144 -10.144 0.000 (0)
|
||||
@ -125,60 +125,62 @@ H(0) 1.416e-20
|
||||
H2 7.079e-21 7.079e-21 -20.150 -20.150 0.000 28.61
|
||||
K 9.207e-07
|
||||
K+ 9.205e-07 9.105e-07 -6.036 -6.041 -0.005 8.99
|
||||
KSO4- 1.805e-10 1.786e-10 -9.744 -9.748 -0.005 14.12
|
||||
KSO4- 1.806e-10 1.786e-10 -9.743 -9.748 -0.005 17.26
|
||||
KHCO3 6.155e-14 6.155e-14 -13.211 -13.211 0.000 41.03
|
||||
Mg 1.769e-06
|
||||
Mg+2 1.763e-06 1.688e-06 -5.754 -5.773 -0.019 -21.90
|
||||
MgSO4 5.696e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
|
||||
MgSO4 5.698e-09 5.699e-09 -8.244 -8.244 0.000 -0.40
|
||||
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
|
||||
Mg(SO4)2-2 2.525e-13 2.418e-13 -12.598 -12.616 -0.019 -15.61
|
||||
Mg(SO4)2-2 2.527e-13 2.420e-13 -12.597 -12.616 -0.019 30.61
|
||||
MgOH+ 1.959e-13 1.938e-13 -12.708 -12.713 -0.005 (0)
|
||||
MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
|
||||
MgCO3 3.615e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
|
||||
N(-3) 1.485e-05
|
||||
NH4+ 1.485e-05 1.468e-05 -4.828 -4.833 -0.005 17.87
|
||||
NH4SO4- 3.118e-09 3.084e-09 -8.506 -8.511 -0.005 -14.54
|
||||
NH4SO4- 3.614e-09 3.574e-09 -8.442 -8.447 -0.005 26.75
|
||||
NH3 2.646e-10 2.646e-10 -9.577 -9.577 0.000 24.42
|
||||
N(5) 1.692e-05
|
||||
NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 29.47
|
||||
Na 6.133e-06
|
||||
Na+ 6.132e-06 6.065e-06 -5.212 -5.217 -0.005 -1.51
|
||||
NaSO4- 1.286e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
|
||||
NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
|
||||
Na+ 6.132e-06 6.066e-06 -5.212 -5.217 -0.005 -1.51
|
||||
NaSO4- 6.946e-10 6.870e-10 -9.158 -9.163 -0.005 16.47
|
||||
NaHCO3 7.996e-13 7.996e-13 -12.097 -12.097 0.000 31.73
|
||||
Na2SO4 2.032e-18 2.032e-18 -17.692 -17.692 0.000 47.96
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -52.063 -52.063 0.000 30.40
|
||||
S(6) 1.353e-05
|
||||
SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019 14.77
|
||||
HSO4- 4.006e-08 3.963e-08 -7.397 -7.402 -0.005 40.26
|
||||
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
|
||||
MgSO4 5.696e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
|
||||
NH4SO4- 3.118e-09 3.084e-09 -8.506 -8.511 -0.005 -14.54
|
||||
NaSO4- 1.286e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
|
||||
KSO4- 1.805e-10 1.786e-10 -9.744 -9.748 -0.005 14.12
|
||||
CaHSO4+ 4.408e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
|
||||
Mg(SO4)2-2 2.525e-13 2.418e-13 -12.598 -12.616 -0.019 -15.61
|
||||
SO4-2 1.347e-05 1.289e-05 -4.871 -4.890 -0.019 14.47
|
||||
HSO4- 4.007e-08 3.964e-08 -7.397 -7.402 -0.005 40.26
|
||||
CaSO4 1.647e-08 1.647e-08 -7.783 -7.783 0.000 7.22
|
||||
MgSO4 5.698e-09 5.699e-09 -8.244 -8.244 0.000 -0.40
|
||||
NH4SO4- 3.614e-09 3.574e-09 -8.442 -8.447 -0.005 26.75
|
||||
NaSO4- 6.946e-10 6.870e-10 -9.158 -9.163 -0.005 16.47
|
||||
KSO4- 1.806e-10 1.786e-10 -9.743 -9.748 -0.005 17.26
|
||||
CaHSO4+ 4.412e-12 4.364e-12 -11.355 -11.360 -0.005 (0)
|
||||
Mg(SO4)2-2 2.527e-13 2.420e-13 -12.597 -12.616 -0.019 30.61
|
||||
Na2SO4 2.032e-18 2.032e-18 -17.692 -17.692 0.000 47.96
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -5.65 -9.93 -4.28 CaSO4
|
||||
Anhydrite -5.61 -9.93 -4.31 CaSO4
|
||||
Aragonite -9.35 -17.69 -8.34 CaCO3
|
||||
Arcanite -15.09 -16.97 -1.88 K2SO4
|
||||
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 -17.08 CaMg(CO3)2
|
||||
Epsomite -8.92 -10.66 -1.74 MgSO4:7H2O
|
||||
Gypsum -5.35 -9.93 -4.58 CaSO4:2H2O
|
||||
Gypsum -5.38 -9.93 -4.55 CaSO4:2H2O
|
||||
H2(g) -17.05 -20.15 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -11.97 -10.40 1.57 NaCl
|
||||
Hexahydrite -9.10 -10.66 -1.57 MgSO4:6H2O
|
||||
Kieserite -9.50 -10.66 -1.16 MgSO4:H2O
|
||||
Mirabilite -14.08 -15.32 -1.24 Na2SO4:10H2O
|
||||
Mirabilite -14.62 -15.32 -0.71 Na2SO4:10H2O
|
||||
NH3(g) -11.37 -9.58 1.80 NH3
|
||||
O2(g) -49.19 -52.08 -2.89 O2
|
||||
O2(g) -49.17 -52.06 -2.89 O2
|
||||
Sylvite -12.12 -11.22 0.90 KCl
|
||||
Thenardite -15.02 -15.32 -0.30 Na2SO4
|
||||
Thenardite -15.97 -15.32 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -226,15 +228,15 @@ Reaction 1.
|
||||
Specific Conductance (µS/cm, 25°C) = 292
|
||||
Density (g/cm³) = 0.99709
|
||||
Volume (L) = 0.05017
|
||||
Viscosity (mPa s) = 0.89048
|
||||
Viscosity (mPa s) = 0.89046
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.529e-03
|
||||
Ionic strength (mol/kgw) = 1.534e-03
|
||||
Mass of water (kg) = 5.002e-02
|
||||
Total alkalinity (eq/kg) = -7.555e-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|) = 24.29
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.23
|
||||
Iterations = 32
|
||||
Total H = 5.552525e+00
|
||||
Total O = 2.776344e+00
|
||||
@ -244,103 +246,105 @@ Reaction 1.
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
|
||||
H+ 7.405e-04 7.106e-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 -136.694 -136.693 0.000 35.46
|
||||
CH4 0.000e+00 0.000e+00 -136.693 -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 24.59
|
||||
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
|
||||
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 9.68
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
|
||||
CaHCO3+ 8.646e-11 8.285e-11 -10.063 -10.082 -0.019 9.68
|
||||
MgHCO3+ 4.753e-11 4.549e-11 -10.323 -10.342 -0.019 5.48
|
||||
NaHCO3 1.392e-11 1.393e-11 -10.856 -10.856 0.000 31.73
|
||||
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
|
||||
CO3-2 1.069e-14 9.006e-15 -13.971 -14.045 -0.075 -3.90
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
CO3-2 1.070e-14 9.009e-15 -13.971 -14.045 -0.075 -3.90
|
||||
CaCO3 2.380e-15 2.381e-15 -14.623 -14.623 0.000 -14.60
|
||||
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
|
||||
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
|
||||
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
|
||||
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 9.68
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
Ca+2 1.869e-04 1.573e-04 -3.728 -3.803 -0.075 -18.12
|
||||
CaSO4 4.595e-06 4.596e-06 -5.338 -5.338 0.000 7.22
|
||||
CaHSO4+ 2.859e-08 2.737e-08 -7.544 -7.563 -0.019 (0)
|
||||
CaHCO3+ 8.646e-11 8.285e-11 -10.063 -10.082 -0.019 9.68
|
||||
CaOH+ 3.839e-14 3.675e-14 -13.416 -13.435 -0.019 (0)
|
||||
CaCO3 2.380e-15 2.381e-15 -14.623 -14.623 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
|
||||
HCl 3.113e-08 3.118e-08 -7.507 -7.506 0.001 (0)
|
||||
Cl- 1.331e-04 1.273e-04 -3.876 -3.895 -0.019 18.08
|
||||
HCl 3.113e-08 3.117e-08 -7.507 -7.506 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61
|
||||
K 1.841e-05
|
||||
K+ 1.835e-05 1.756e-05 -4.736 -4.755 -0.019 9.02
|
||||
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
|
||||
KSO4- 5.837e-08 5.595e-08 -7.234 -7.252 -0.018 18.64
|
||||
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
|
||||
Mg 3.536e-05
|
||||
Mg+2 3.381e-05 2.850e-05 -4.471 -4.545 -0.074 -21.80
|
||||
MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92
|
||||
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
MgOH+ 1.519e-13 1.456e-13 -12.819 -12.837 -0.018 (0)
|
||||
Mg+2 3.380e-05 2.848e-05 -4.471 -4.545 -0.074 -21.80
|
||||
MgSO4 1.561e-06 1.562e-06 -5.807 -5.806 0.000 -0.40
|
||||
Mg(SO4)2-2 1.275e-09 1.077e-09 -8.894 -8.968 -0.073 34.56
|
||||
MgHCO3+ 4.753e-11 4.549e-11 -10.323 -10.342 -0.019 5.48
|
||||
MgOH+ 1.518e-13 1.455e-13 -12.819 -12.837 -0.018 (0)
|
||||
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90
|
||||
NH4SO4- 0.000e+00 0.000e+00 -50.906 -50.926 -0.019 -5.79
|
||||
NH4SO4- 0.000e+00 0.000e+00 -50.841 -50.860 -0.019 27.97
|
||||
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
|
||||
N(0) 4.751e-04
|
||||
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
|
||||
N(3) 2.623e-15
|
||||
NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 24.97
|
||||
N(3) 2.624e-15
|
||||
NO2- 2.624e-15 2.510e-15 -14.581 -14.600 -0.019 24.97
|
||||
N(5) 1.601e-04
|
||||
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.50
|
||||
Na 1.226e-04
|
||||
Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47
|
||||
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
|
||||
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
|
||||
O(0) 8.552e-08
|
||||
O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40
|
||||
Na+ 1.224e-04 1.172e-04 -3.912 -3.931 -0.019 -1.47
|
||||
NaSO4- 2.252e-07 2.156e-07 -6.647 -6.666 -0.019 16.63
|
||||
NaHCO3 1.392e-11 1.393e-11 -10.856 -10.856 0.000 31.73
|
||||
Na2SO4 1.232e-14 1.232e-14 -13.910 -13.909 0.000 47.96
|
||||
O(0) 8.901e-08
|
||||
O2 4.450e-08 4.452e-08 -7.352 -7.351 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -126.809 -126.808 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 20.61
|
||||
S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -254.895 -254.895 0.000 30.09
|
||||
H2S 0.000e+00 0.000e+00 -126.806 -126.806 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -130.580 -130.600 -0.019 20.61
|
||||
S-2 0.000e+00 0.000e+00 -140.294 -140.369 -0.075 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -254.891 -254.891 0.000 30.09
|
||||
S(6) 2.706e-04
|
||||
SO4-2 2.477e-04 2.084e-04 -3.606 -3.681 -0.075 15.86
|
||||
HSO4- 1.504e-05 1.440e-05 -4.823 -4.842 -0.019 40.28
|
||||
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
|
||||
MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92
|
||||
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
|
||||
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
|
||||
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
|
||||
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
|
||||
NH4SO4- 0.000e+00 0.000e+00 -50.906 -50.926 -0.019 -5.79
|
||||
SO4-2 2.490e-04 2.094e-04 -3.604 -3.679 -0.075 14.55
|
||||
HSO4- 1.511e-05 1.447e-05 -4.821 -4.840 -0.019 40.28
|
||||
CaSO4 4.595e-06 4.596e-06 -5.338 -5.338 0.000 7.22
|
||||
MgSO4 1.561e-06 1.562e-06 -5.807 -5.806 0.000 -0.40
|
||||
NaSO4- 2.252e-07 2.156e-07 -6.647 -6.666 -0.019 16.63
|
||||
KSO4- 5.837e-08 5.595e-08 -7.234 -7.252 -0.018 18.64
|
||||
CaHSO4+ 2.859e-08 2.737e-08 -7.544 -7.563 -0.019 (0)
|
||||
Mg(SO4)2-2 1.275e-09 1.077e-09 -8.894 -8.968 -0.073 34.56
|
||||
Na2SO4 1.232e-14 1.232e-14 -13.910 -13.909 0.000 47.96
|
||||
NH4SO4- 0.000e+00 0.000e+00 -50.841 -50.860 -0.019 27.97
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -3.21 -7.49 -4.28 CaSO4
|
||||
Aragonite -9.52 -17.85 -8.34 CaCO3
|
||||
Anhydrite -3.17 -7.48 -4.31 CaSO4
|
||||
Aragonite -9.51 -17.85 -8.34 CaCO3
|
||||
Arcanite -11.31 -13.19 -1.88 K2SO4
|
||||
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 -19.36 -36.44 -17.08 CaMg(CO3)2
|
||||
Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O
|
||||
Epsomite -6.49 -8.22 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.93 -7.48 -4.55 CaSO4:2H2O
|
||||
H2(g) -39.40 -42.51 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -125.81 -133.75 -7.94 H2S
|
||||
Halite -9.40 -7.83 1.57 NaCl
|
||||
Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.06 -8.23 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.30 -11.54 -1.24 Na2SO4:10H2O
|
||||
Hexahydrite -6.66 -8.22 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.06 -8.22 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.84 -11.54 -0.71 Na2SO4:10H2O
|
||||
N2(g) -0.45 -3.62 -3.18 N2
|
||||
NH3(g) -56.35 -54.55 1.80 NH3
|
||||
O2(g) -4.48 -7.37 -2.89 O2
|
||||
O2(g) -4.46 -7.35 -2.89 O2
|
||||
Sulfur -92.33 -87.45 4.88 S
|
||||
Sylvite -9.55 -8.65 0.90 KCl
|
||||
Thenardite -11.24 -11.54 -0.30 Na2SO4
|
||||
Thenardite -12.19 -11.54 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -396,15 +400,15 @@ Mixture 1.
|
||||
Specific Conductance (µS/cm, 25°C) = 292
|
||||
Density (g/cm³) = 0.99709
|
||||
Volume (L) = 1.00332
|
||||
Viscosity (mPa s) = 0.89048
|
||||
Viscosity (mPa s) = 0.89046
|
||||
Activity of water = 1.000
|
||||
Ionic strength (mol/kgw) = 1.529e-03
|
||||
Ionic strength (mol/kgw) = 1.534e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -7.555e-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|) = 24.29
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.23
|
||||
Iterations = 0
|
||||
Total H = 1.110505e+02
|
||||
Total O = 5.552687e+01
|
||||
@ -414,103 +418,105 @@ Mixture 1.
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm³/mol
|
||||
|
||||
H+ 7.406e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
|
||||
H+ 7.405e-04 7.106e-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 -136.694 -136.693 0.000 35.46
|
||||
CH4 0.000e+00 0.000e+00 -136.693 -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 24.59
|
||||
(CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87
|
||||
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 9.68
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
|
||||
CaHCO3+ 8.646e-11 8.285e-11 -10.063 -10.082 -0.019 9.68
|
||||
MgHCO3+ 4.753e-11 4.549e-11 -10.323 -10.342 -0.019 5.48
|
||||
NaHCO3 1.392e-11 1.393e-11 -10.856 -10.856 0.000 31.73
|
||||
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
|
||||
CO3-2 1.069e-14 9.006e-15 -13.971 -14.045 -0.075 -3.90
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
CO3-2 1.070e-14 9.009e-15 -13.971 -14.045 -0.075 -3.90
|
||||
CaCO3 2.380e-15 2.381e-15 -14.623 -14.623 0.000 -14.60
|
||||
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
|
||||
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
|
||||
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
|
||||
CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 9.68
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60
|
||||
Ca+2 1.869e-04 1.573e-04 -3.728 -3.803 -0.075 -18.12
|
||||
CaSO4 4.595e-06 4.596e-06 -5.338 -5.338 0.000 7.22
|
||||
CaHSO4+ 2.859e-08 2.737e-08 -7.544 -7.563 -0.019 (0)
|
||||
CaHCO3+ 8.646e-11 8.285e-11 -10.063 -10.082 -0.019 9.68
|
||||
CaOH+ 3.839e-14 3.675e-14 -13.416 -13.435 -0.019 (0)
|
||||
CaCO3 2.380e-15 2.381e-15 -14.623 -14.623 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
|
||||
HCl 3.113e-08 3.118e-08 -7.507 -7.506 0.001 (0)
|
||||
Cl- 1.331e-04 1.273e-04 -3.876 -3.895 -0.019 18.08
|
||||
HCl 3.113e-08 3.117e-08 -7.507 -7.506 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -42.506 -42.506 0.000 28.61
|
||||
K 1.841e-05
|
||||
K+ 1.835e-05 1.756e-05 -4.736 -4.755 -0.019 9.02
|
||||
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
|
||||
KSO4- 5.837e-08 5.595e-08 -7.234 -7.252 -0.018 18.64
|
||||
KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03
|
||||
Mg 3.536e-05
|
||||
Mg+2 3.381e-05 2.850e-05 -4.471 -4.545 -0.074 -21.80
|
||||
MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92
|
||||
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
|
||||
MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48
|
||||
MgOH+ 1.519e-13 1.456e-13 -12.819 -12.837 -0.018 (0)
|
||||
Mg+2 3.380e-05 2.848e-05 -4.471 -4.545 -0.074 -21.80
|
||||
MgSO4 1.561e-06 1.562e-06 -5.807 -5.806 0.000 -0.40
|
||||
Mg(SO4)2-2 1.275e-09 1.077e-09 -8.894 -8.968 -0.073 34.56
|
||||
MgHCO3+ 4.753e-11 4.549e-11 -10.323 -10.342 -0.019 5.48
|
||||
MgOH+ 1.518e-13 1.455e-13 -12.819 -12.837 -0.018 (0)
|
||||
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90
|
||||
NH4SO4- 0.000e+00 0.000e+00 -50.906 -50.926 -0.019 -5.79
|
||||
NH4SO4- 0.000e+00 0.000e+00 -50.841 -50.860 -0.019 27.97
|
||||
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
|
||||
N(0) 4.751e-04
|
||||
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
|
||||
N(3) 2.623e-15
|
||||
NO2- 2.623e-15 2.510e-15 -14.581 -14.600 -0.019 24.97
|
||||
N(3) 2.624e-15
|
||||
NO2- 2.624e-15 2.510e-15 -14.581 -14.600 -0.019 24.97
|
||||
N(5) 1.601e-04
|
||||
NO3- 1.601e-04 1.532e-04 -3.796 -3.815 -0.019 29.50
|
||||
Na 1.226e-04
|
||||
Na+ 1.222e-04 1.170e-04 -3.913 -3.932 -0.019 -1.47
|
||||
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
|
||||
NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73
|
||||
O(0) 8.552e-08
|
||||
O2 4.276e-08 4.278e-08 -7.369 -7.369 0.000 30.40
|
||||
Na+ 1.224e-04 1.172e-04 -3.912 -3.931 -0.019 -1.47
|
||||
NaSO4- 2.252e-07 2.156e-07 -6.647 -6.666 -0.019 16.63
|
||||
NaHCO3 1.392e-11 1.393e-11 -10.856 -10.856 0.000 31.73
|
||||
Na2SO4 1.232e-14 1.232e-14 -13.910 -13.909 0.000 47.96
|
||||
O(0) 8.901e-08
|
||||
O2 4.450e-08 4.452e-08 -7.352 -7.351 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -126.809 -126.808 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -130.583 -130.602 -0.019 20.61
|
||||
S-2 0.000e+00 0.000e+00 -140.297 -140.372 -0.075 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -254.895 -254.895 0.000 30.09
|
||||
H2S 0.000e+00 0.000e+00 -126.806 -126.806 0.000 36.27
|
||||
HS- 0.000e+00 0.000e+00 -130.580 -130.600 -0.019 20.61
|
||||
S-2 0.000e+00 0.000e+00 -140.294 -140.369 -0.075 (0)
|
||||
(H2S)2 0.000e+00 0.000e+00 -254.891 -254.891 0.000 30.09
|
||||
S(6) 2.706e-04
|
||||
SO4-2 2.477e-04 2.084e-04 -3.606 -3.681 -0.075 15.86
|
||||
HSO4- 1.504e-05 1.440e-05 -4.823 -4.842 -0.019 40.28
|
||||
CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50
|
||||
MgSO4 1.554e-06 1.555e-06 -5.809 -5.808 0.000 -7.92
|
||||
NaSO4- 4.143e-07 3.969e-07 -6.383 -6.401 -0.019 -20.09
|
||||
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
|
||||
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
|
||||
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
|
||||
NH4SO4- 0.000e+00 0.000e+00 -50.906 -50.926 -0.019 -5.79
|
||||
SO4-2 2.490e-04 2.094e-04 -3.604 -3.679 -0.075 14.55
|
||||
HSO4- 1.511e-05 1.447e-05 -4.821 -4.840 -0.019 40.28
|
||||
CaSO4 4.595e-06 4.596e-06 -5.338 -5.338 0.000 7.22
|
||||
MgSO4 1.561e-06 1.562e-06 -5.807 -5.806 0.000 -0.40
|
||||
NaSO4- 2.252e-07 2.156e-07 -6.647 -6.666 -0.019 16.63
|
||||
KSO4- 5.837e-08 5.595e-08 -7.234 -7.252 -0.018 18.64
|
||||
CaHSO4+ 2.859e-08 2.737e-08 -7.544 -7.563 -0.019 (0)
|
||||
Mg(SO4)2-2 1.275e-09 1.077e-09 -8.894 -8.968 -0.073 34.56
|
||||
Na2SO4 1.232e-14 1.232e-14 -13.910 -13.909 0.000 47.96
|
||||
NH4SO4- 0.000e+00 0.000e+00 -50.841 -50.860 -0.019 27.97
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -3.21 -7.49 -4.28 CaSO4
|
||||
Aragonite -9.52 -17.85 -8.34 CaCO3
|
||||
Anhydrite -3.17 -7.48 -4.31 CaSO4
|
||||
Aragonite -9.51 -17.85 -8.34 CaCO3
|
||||
Arcanite -11.31 -13.19 -1.88 K2SO4
|
||||
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 -19.36 -36.44 -17.08 CaMg(CO3)2
|
||||
Epsomite -6.49 -8.23 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.90 -7.49 -4.58 CaSO4:2H2O
|
||||
Epsomite -6.49 -8.22 -1.74 MgSO4:7H2O
|
||||
Gypsum -2.93 -7.48 -4.55 CaSO4:2H2O
|
||||
H2(g) -39.40 -42.51 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -125.81 -133.75 -7.94 H2S
|
||||
Halite -9.40 -7.83 1.57 NaCl
|
||||
Hexahydrite -6.66 -8.23 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.06 -8.23 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.30 -11.54 -1.24 Na2SO4:10H2O
|
||||
Hexahydrite -6.66 -8.22 -1.57 MgSO4:6H2O
|
||||
Kieserite -7.06 -8.22 -1.16 MgSO4:H2O
|
||||
Mirabilite -10.84 -11.54 -0.71 Na2SO4:10H2O
|
||||
N2(g) -0.45 -3.62 -3.18 N2
|
||||
NH3(g) -56.35 -54.55 1.80 NH3
|
||||
O2(g) -4.48 -7.37 -2.89 O2
|
||||
O2(g) -4.46 -7.35 -2.89 O2
|
||||
Sulfur -92.33 -87.45 4.88 S
|
||||
Sylvite -9.55 -8.65 0.90 KCl
|
||||
Thenardite -11.24 -11.54 -0.30 Na2SO4
|
||||
Thenardite -12.19 -11.54 0.65 Na2SO4
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
|
||||
12
ex5.sel
12
ex5.sel
@ -1,8 +1,8 @@
|
||||
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 8.27866 -4.94223 0.0000e+00 1.0000e+01 -3.1401e-08 1.0000e+01 1.0888e-08 9.9995e+00 -4.9102e-04 9.9995e+00 -4.8459e-04 0.0000e+00 0.0000e+00 -6.1251
|
||||
1 react 1 -99 0 2 8.16976 -4.28517 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2415e-04 1.0000e+01 1.4524e-04 0.0000e+00 0.0000e+00 -2.0139
|
||||
1 react 1 -99 0 3 7.97867 -3.96612 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9318e-03 1.0002e+01 2.4006e-03 0.0000e+00 0.0000e+00 -1.0546
|
||||
1 react 1 -99 0 4 7.8793 -3.81158 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5524e-03 1.0005e+01 5.1122e-03 0.0000e+00 0.0000e+00 -0.6412
|
||||
1 react 1 -99 0 5 7.72165 -3.57159 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6165e-02 1.0016e+01 1.5831e-02 0.0000e+00 0.0000e+00 -0.0253
|
||||
1 react 1 -99 0 6 7.70941 -3.55585 2.5011e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6831e-02 1.0026e+01 2.6499e-02 8.9755e-03 8.9755e-03 0.0000
|
||||
1 react 1 -99 0 1 8.27866 -4.94187 0.0000e+00 1.0000e+01 -3.1210e-08 1.0000e+01 1.0714e-08 9.9995e+00 -4.9102e-04 9.9995e+00 -4.8459e-04 0.0000e+00 0.0000e+00 -6.1560
|
||||
1 react 1 -99 0 2 8.16816 -4.28202 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2282e-04 1.0000e+01 1.4652e-04 0.0000e+00 0.0000e+00 -2.0359
|
||||
1 react 1 -99 0 3 7.97404 -3.95815 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9293e-03 1.0002e+01 2.4029e-03 0.0000e+00 0.0000e+00 -1.0632
|
||||
1 react 1 -99 0 4 7.87342 -3.80133 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9945e+00 -5.5500e-03 1.0005e+01 5.1145e-03 0.0000e+00 0.0000e+00 -0.6421
|
||||
1 react 1 -99 0 5 7.71486 -3.55884 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6164e-02 1.0016e+01 1.5833e-02 0.0000e+00 0.0000e+00 -0.0143
|
||||
1 react 1 -99 0 6 7.70753 -3.54948 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6831e-02 1.0026e+01 2.6500e-02 9.4079e-03 9.4079e-03 0.0000
|
||||
|
||||
24
ex6A-B.sel
24
ex6A-B.sel
@ -1,22 +1,22 @@
|
||||
sim state soln dist_x time step pH pe la_K+ la_H+ la_H4SiO4 Gibbsite d_Gibbsite Kaolinite d_Kaolinite K-mica d_K-mica K-feldspar d_K-feldspar si_Gibbsite si_Kaolinite si_K-mica si_K-feldspar
|
||||
1 i_soln 1 -99 -99 -99 6.99738 4 -1.0000e+03 -6.9974e+00 -1.0000e+03 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -999.9990 -999.9990 -999.9990 -999.9990
|
||||
2 react 1 -99 0 1 7.00369 10.3679 -7.5756e+00 -7.0037e+00 -7.0990e+00 1.0000e+01 -2.6579e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -3.8080 -10.6919 -14.6949
|
||||
3 react 1 -99 0 1 8.20884 9.16277 -5.6626e+00 -8.2088e+00 -5.1950e+00 1.7849e-06 1.7849e-06 1.0000e+01 -2.1784e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.8618 -5.8648
|
||||
4 react 1 -99 0 1 9.10706 8.26452 -4.6991e+00 -9.1071e+00 -4.4650e+00 0.0000e+00 0.0000e+00 9.7604e-06 9.7604e-06 1.0000e+01 -2.0101e-05 0.0000e+00 0.0000e+00 -0.7300 0.0000 0.0000 -2.5429
|
||||
5 react 1 -99 0 1 9.38811 7.98357 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.9998e+00 -1.9091e-04 -2.0015 -0.7195 -0.0000 -0.0000
|
||||
6 react 1 -99 0 1 8.35063 9.02099 -5.5202e+00 -8.3506e+00 -5.1950e+00 1.0000e+01 -3.0245e-06 1.0000e+00 1.2397e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0000 -1.5776 -5.5806
|
||||
2 react 1 -99 0 1 7.00369 10.3636 -7.5756e+00 -7.0037e+00 -7.0990e+00 1.0000e+01 -2.6579e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.8080 -10.6919 -14.6949
|
||||
3 react 1 -99 0 1 8.20884 9.15841 -5.6626e+00 -8.2088e+00 -5.1950e+00 1.7849e-06 1.7849e-06 1.0000e+01 -2.1784e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 0.0000 -1.8618 -5.8648
|
||||
4 react 1 -99 0 1 9.10706 8.2602 -4.6991e+00 -9.1071e+00 -4.4650e+00 0.0000e+00 0.0000e+00 9.7604e-06 9.7604e-06 1.0000e+01 -2.0101e-05 0.0000e+00 0.0000e+00 -0.7300 0.0000 0.0000 -2.5429
|
||||
5 react 1 -99 0 1 9.38811 7.97856 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.9998e+00 -1.9091e-04 -2.0015 -0.7195 0.0000 0.0000
|
||||
6 react 1 -99 0 1 8.35063 9.01662 -5.5202e+00 -8.3506e+00 -5.1950e+00 1.0000e+01 -3.0245e-06 1.0000e+00 1.2397e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0000 -1.5776 -5.5806
|
||||
7 react 1 -99 0 1 9.06827 -3.25856 -4.6603e+00 -9.0683e+00 -4.2503e+00 0.0000e+00 0.0000e+00 1.0000e+01 -3.2815e-05 1.0000e+00 1.0830e-05 0.0000e+00 0.0000e+00 -0.9448 0.0000 0.0000 -2.1135
|
||||
8 react 1 -99 0 1 7.02917 -1.25493 -7.3981e+00 -7.0292e+00 -6.9215e+00 1.1996e-08 1.1996e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -3.4530 -9.9565 -13.9595
|
||||
8 react 1 -99 0 2 7.10321 11.4626 -7.0971e+00 -7.1032e+00 -6.6206e+00 4.7312e-08 4.7312e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6787 -12.6817
|
||||
8 react 1 -99 0 2 7.10321 11.467 -7.0971e+00 -7.1032e+00 -6.6206e+00 4.7312e-08 4.7312e-08 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -2.8512 -8.6787 -12.6817
|
||||
8 react 1 -99 0 3 7.2381 -1.23219 -6.7961e+00 -7.2381e+00 -6.3199e+00 1.1631e-07 1.1631e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -2.2497 -7.3406 -11.3436
|
||||
8 react 1 -99 0 4 7.44792 -1.59012 -6.4952e+00 -7.4479e+00 -6.0195e+00 2.5047e-07 2.5047e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.6490 -5.9288 -9.9318
|
||||
8 react 1 -99 0 5 7.71092 -2.00241 -6.1942e+00 -7.7109e+00 -5.7200e+00 5.1404e-07 5.1404e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -1.0500 -4.4663 -8.4693
|
||||
8 react 1 -99 0 6 7.89183 9.81356 -6.0005e+00 -7.8918e+00 -5.5278e+00 8.0972e-07 8.0972e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6657 -3.5152 -7.5182
|
||||
8 react 1 -99 0 7 8.17443 9.60703 -5.6997e+00 -8.1744e+00 -5.2313e+00 1.6364e-06 1.6364e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.0727 -2.0422 -6.0452
|
||||
8 react 1 -99 0 6 7.89183 9.8092 -6.0005e+00 -7.8918e+00 -5.5278e+00 8.0972e-07 8.0972e-07 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000 -0.6657 -3.5152 -7.5182
|
||||
8 react 1 -99 0 7 8.17443 9.60262 -5.6997e+00 -8.1744e+00 -5.2313e+00 1.6364e-06 1.6364e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.0000 -0.0727 -2.0422 -6.0452
|
||||
8 react 1 -99 0 8 8.48037 -2.7668 -5.3990e+00 -8.4804e+00 -5.0859e+00 0.0000e+00 0.0000e+00 1.7143e-06 1.7143e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.1091 -0.0000 -1.3266 -5.1114
|
||||
8 react 1 -99 0 9 8.77515 8.985 -5.0983e+00 -8.7752e+00 -4.8164e+00 0.0000e+00 0.0000e+00 3.6971e-06 3.6971e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3786 0.0000 -0.7312 -3.9771
|
||||
8 react 1 -99 0 9 8.77515 8.98055 -5.0983e+00 -8.7752e+00 -4.8164e+00 0.0000e+00 0.0000e+00 3.6971e-06 3.6971e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.3786 0.0000 -0.7312 -3.9771
|
||||
8 react 1 -99 0 10 9.03134 -3.37462 -4.7979e+00 -9.0313e+00 -4.5510e+00 0.0000e+00 0.0000e+00 7.7032e-06 7.7032e-06 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 -0.6440 -0.0000 -0.1746 -2.8896
|
||||
8 react 1 -99 0 11 9.07064 8.46955 -4.6626e+00 -9.0706e+00 -4.2614e+00 0.0000e+00 0.0000e+00 6.2948e-07 6.2948e-07 1.0136e-05 1.0136e-05 0.0000e+00 0.0000e+00 -0.9336 0.0000 0.0000 -2.1358
|
||||
8 react 1 -99 0 12 9.22303 8.3958 -4.3726e+00 -9.2230e+00 -3.9885e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3540 -0.2950 -0.0000 -1.2950
|
||||
8 react 1 -99 0 11 9.07064 8.46515 -4.6626e+00 -9.0706e+00 -4.2614e+00 0.0000e+00 0.0000e+00 6.2948e-07 6.2948e-07 1.0136e-05 1.0136e-05 0.0000e+00 0.0000e+00 -0.9336 0.0000 -0.0000 -2.1358
|
||||
8 react 1 -99 0 12 9.22303 8.39138 -4.3726e+00 -9.2230e+00 -3.9885e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 2.1273e-05 2.1273e-05 0.0000e+00 0.0000e+00 -1.3540 -0.2950 0.0000 -1.2950
|
||||
8 react 1 -99 0 13 9.30283 -3.51486 -4.1800e+00 -9.3028e+00 -3.8123e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3.3294e-05 3.3294e-05 0.0000e+00 0.0000e+00 -1.6210 -0.4766 -0.0000 -0.7610
|
||||
8 react 1 -99 0 14 9.38811 8.43824 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.0932e-06 9.0932e-06 -2.0015 -0.7195 -0.0000 -0.0000
|
||||
8 react 1 -99 0 14 9.38811 8.43384 -3.9009e+00 -9.3881e+00 -3.5533e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 6.3616e-05 6.3616e-05 9.0932e-06 9.0932e-06 -2.0015 -0.7195 -0.0000 0.0000
|
||||
|
||||
104
ex7.out
104
ex7.out
@ -102,7 +102,7 @@ Initial solution 1.
|
||||
H(0) 1.416e-25
|
||||
H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -42.063 -42.063 0.000 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -110,7 +110,7 @@ O(0) 0.000e+00
|
||||
|
||||
H2(g) -22.05 -25.15 -3.10 H2
|
||||
H2O(g) -1.50 0.00 1.50 H2O
|
||||
O2(g) -39.19 -42.08 -2.89 O2
|
||||
O2(g) -39.17 -42.06 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -184,7 +184,7 @@ Ca 2.453e-03
|
||||
H(0) 5.087e-15
|
||||
H2 2.544e-15 2.548e-15 -14.595 -14.594 0.001 28.61
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.193 -63.192 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -63.176 -63.175 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -196,7 +196,7 @@ O(0) 0.000e+00
|
||||
CO2(g) -1.50 -2.97 -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
|
||||
O2(g) -60.28 -63.18 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -346,7 +346,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -84.708 -84.748 -0.040 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.647 -73.646 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.629 -73.629 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -360,7 +360,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -3.98 -7.16 -3.18 N2
|
||||
NH3(g) -8.38 -6.61 1.77 NH3
|
||||
O2(g) -70.75 -73.65 -2.89 O2
|
||||
O2(g) -70.74 -73.63 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -452,7 +452,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -84.804 -84.845 -0.041 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.743 -73.742 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.725 -73.725 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -466,7 +466,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -3.73 -6.91 -3.18 N2
|
||||
NH3(g) -8.18 -6.41 1.77 NH3
|
||||
O2(g) -70.85 -73.74 -2.89 O2
|
||||
O2(g) -70.83 -73.72 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -558,7 +558,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -84.879 -84.920 -0.041 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.787 -73.787 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.770 -73.769 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -572,7 +572,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
N2(g) -3.61 -6.78 -3.18 N2
|
||||
NH3(g) -8.09 -6.32 1.77 NH3
|
||||
O2(g) -70.89 -73.79 -2.89 O2
|
||||
O2(g) -70.88 -73.77 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -678,7 +678,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -84.824 -84.865 -0.041 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.761 -73.760 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.744 -73.743 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -692,7 +692,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.995
|
||||
N2(g) -3.44 -6.62 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -8.03 -6.26 1.77 NH3
|
||||
O2(g) -70.87 -73.76 -2.89 O2
|
||||
O2(g) -70.85 -73.74 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -798,7 +798,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -84.645 -84.687 -0.042 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.661 -73.660 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.643 -73.642 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -812,7 +812,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.995
|
||||
N2(g) -3.02 -6.19 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -7.89 -6.12 1.77 NH3
|
||||
O2(g) -70.77 -73.66 -2.89 O2
|
||||
O2(g) -70.75 -73.64 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -918,7 +918,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -84.437 -84.480 -0.043 29.55
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.548 -73.547 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.530 -73.530 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -932,7 +932,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.994
|
||||
N2(g) -2.58 -5.75 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -7.75 -5.98 1.77 NH3
|
||||
O2(g) -70.65 -73.55 -2.89 O2
|
||||
O2(g) -70.64 -73.53 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1038,7 +1038,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -84.183 -84.228 -0.045 29.55
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.439 -73.438 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.421 -73.420 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1052,7 +1052,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.994
|
||||
N2(g) -2.13 -5.30 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -7.61 -5.84 1.77 NH3
|
||||
O2(g) -70.55 -73.44 -2.89 O2
|
||||
O2(g) -70.53 -73.42 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1158,7 +1158,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.957 -84.004 -0.047 29.56
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.353 -73.352 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.336 -73.335 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1172,7 +1172,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.993
|
||||
N2(g) -1.77 -4.95 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -7.50 -5.73 1.77 NH3
|
||||
O2(g) -70.46 -73.35 -2.89 O2
|
||||
O2(g) -70.44 -73.33 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1278,7 +1278,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.832 -83.880 -0.048 29.56
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.301 -73.300 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.284 -73.283 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1292,7 +1292,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.993
|
||||
N2(g) -1.60 -4.77 -3.18 N2 Pressure 0.0 atm, phi 1.001
|
||||
NH3(g) -7.45 -5.68 1.77 NH3
|
||||
O2(g) -70.41 -73.30 -2.89 O2
|
||||
O2(g) -70.39 -73.28 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1398,7 +1398,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.770 -83.818 -0.049 29.56
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.272 -73.271 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.255 -73.254 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1412,7 +1412,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.993
|
||||
N2(g) -1.51 -4.69 -3.18 N2 Pressure 0.0 atm, phi 1.001
|
||||
NH3(g) -7.43 -5.66 1.77 NH3
|
||||
O2(g) -70.38 -73.27 -2.89 O2
|
||||
O2(g) -70.36 -73.25 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1518,7 +1518,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.741 -83.790 -0.049 29.56
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.258 -73.256 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.240 -73.239 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1532,7 +1532,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.993
|
||||
N2(g) -1.48 -4.65 -3.18 N2 Pressure 0.0 atm, phi 1.001
|
||||
NH3(g) -7.42 -5.65 1.77 NH3
|
||||
O2(g) -70.36 -73.26 -2.89 O2
|
||||
O2(g) -70.35 -73.24 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1638,7 +1638,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.727 -83.776 -0.049 29.56
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.250 -73.249 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.233 -73.232 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1652,7 +1652,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.993
|
||||
N2(g) -1.46 -4.63 -3.18 N2 Pressure 0.0 atm, phi 1.001
|
||||
NH3(g) -7.42 -5.65 1.77 NH3
|
||||
O2(g) -70.36 -73.25 -2.89 O2
|
||||
O2(g) -70.34 -73.23 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1824,7 +1824,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.172 -83.212 -0.040 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -72.337 -72.336 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -72.320 -72.319 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1838,7 +1838,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999
|
||||
N2(g) -4.45 -7.63 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -9.60 -7.83 1.77 NH3
|
||||
O2(g) -69.44 -72.34 -2.89 O2
|
||||
O2(g) -69.43 -72.32 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -1944,7 +1944,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.211 -83.251 -0.040 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -72.484 -72.484 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -72.467 -72.466 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1958,7 +1958,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999
|
||||
N2(g) -4.15 -7.33 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -9.34 -7.57 1.77 NH3
|
||||
O2(g) -69.59 -72.48 -2.89 O2
|
||||
O2(g) -69.57 -72.47 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -2064,7 +2064,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.235 -83.275 -0.040 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -72.569 -72.569 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -72.552 -72.551 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2078,7 +2078,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999
|
||||
N2(g) -3.97 -7.15 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -9.19 -7.42 1.77 NH3
|
||||
O2(g) -69.68 -72.57 -2.89 O2
|
||||
O2(g) -69.66 -72.55 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -2184,7 +2184,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.252 -83.292 -0.040 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -72.629 -72.628 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -72.611 -72.610 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2198,7 +2198,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999
|
||||
N2(g) -3.85 -7.02 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -9.08 -7.31 1.77 NH3
|
||||
O2(g) -69.74 -72.63 -2.89 O2
|
||||
O2(g) -69.72 -72.61 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -2304,7 +2304,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.297 -83.338 -0.040 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -72.767 -72.766 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -72.750 -72.749 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2318,7 +2318,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999
|
||||
N2(g) -3.55 -6.72 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -8.82 -7.05 1.77 NH3
|
||||
O2(g) -69.87 -72.77 -2.89 O2
|
||||
O2(g) -69.86 -72.75 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -2424,7 +2424,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.350 -83.390 -0.040 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -72.895 -72.894 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -72.878 -72.877 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2438,7 +2438,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999
|
||||
N2(g) -3.24 -6.42 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -8.58 -6.81 1.77 NH3
|
||||
O2(g) -70.00 -72.89 -2.89 O2
|
||||
O2(g) -69.98 -72.88 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -2544,7 +2544,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.413 -83.453 -0.040 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.007 -73.006 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -72.989 -72.989 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2558,7 +2558,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999
|
||||
N2(g) -2.94 -6.12 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -8.34 -6.57 1.77 NH3
|
||||
O2(g) -70.11 -73.01 -2.89 O2
|
||||
O2(g) -70.10 -72.99 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -2664,7 +2664,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.489 -83.529 -0.041 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.096 -73.095 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.079 -73.078 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2678,7 +2678,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999
|
||||
N2(g) -2.64 -5.82 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -8.13 -6.36 1.77 NH3
|
||||
O2(g) -70.20 -73.10 -2.89 O2
|
||||
O2(g) -70.19 -73.08 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -2784,7 +2784,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.571 -83.612 -0.041 29.54
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.158 -73.157 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.140 -73.140 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2798,7 +2798,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.998
|
||||
N2(g) -2.36 -5.53 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -7.94 -6.17 1.77 NH3
|
||||
O2(g) -70.26 -73.16 -2.89 O2
|
||||
O2(g) -70.25 -73.14 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -2904,7 +2904,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.653 -83.695 -0.042 29.55
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.199 -73.198 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.182 -73.181 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -2918,7 +2918,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.997
|
||||
N2(g) -2.06 -5.23 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -7.76 -5.99 1.77 NH3
|
||||
O2(g) -70.31 -73.20 -2.89 O2
|
||||
O2(g) -70.29 -73.18 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -3024,7 +3024,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.711 -83.756 -0.045 29.55
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.223 -73.222 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.206 -73.205 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -3038,7 +3038,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.996
|
||||
N2(g) -1.76 -4.94 -3.18 N2 Pressure 0.0 atm, phi 1.000
|
||||
NH3(g) -7.59 -5.82 1.77 NH3
|
||||
O2(g) -70.33 -73.22 -2.89 O2
|
||||
O2(g) -70.31 -73.20 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
@ -3144,7 +3144,7 @@ N(3) 0.000e+00
|
||||
N(5) 0.000e+00
|
||||
NO3- 0.000e+00 0.000e+00 -83.732 -83.781 -0.049 29.56
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -73.237 -73.236 0.001 30.40
|
||||
O2 0.000e+00 0.000e+00 -73.220 -73.218 0.001 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -3158,7 +3158,7 @@ O(0) 0.000e+00
|
||||
H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.992
|
||||
N2(g) -1.46 -4.64 -3.18 N2 Pressure 0.0 atm, phi 1.001
|
||||
NH3(g) -7.43 -5.66 1.77 NH3
|
||||
O2(g) -70.34 -73.24 -2.89 O2
|
||||
O2(g) -70.33 -73.22 -2.89 O2
|
||||
|
||||
**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm.
|
||||
For ideal gases, phi = 1.
|
||||
|
||||
52
ex8.sel
52
ex8.sel
@ -1,27 +1,27 @@
|
||||
sim state soln dist_x time step pH pe reaction temp Alk mu mass_H2O charge pct_err m_Zn+2 m_Hfo_wOZn+ m_Hfo_sOZn+
|
||||
5 react 1 -99 0 1 5 15.0946 -99 25.000 -1.21142e-05 0.0999427 0.999998 -0.000112255 -0.05616 9.9667e-08 1.3174e-11 3.1450e-10
|
||||
6 react 1 -99 0 1 5.25 14.8088 -99 25.000 -6.81073e-06 0.0999508 0.999998 -9.66739e-05 -0.0483609 9.9094e-08 3.6062e-11 8.6083e-10
|
||||
7 react 1 -99 0 1 5.5 14.5231 -99 25.000 -3.8271e-06 0.0999584 0.999998 -8.21358e-05 -0.0410851 9.7570e-08 9.7072e-11 2.3165e-09
|
||||
8 react 1 -99 0 1 5.75 14.2374 -99 25.000 -2.14703e-06 0.0999652 0.999999 -6.88825e-05 -0.0344533 9.3666e-08 2.5380e-10 6.0522e-09
|
||||
9 react 1 -99 0 1 6 13.9517 -99 25.000 -1.19828e-06 0.0999713 0.999999 -5.70006e-05 -0.0285086 8.4496e-08 6.2324e-10 1.4836e-08
|
||||
10 react 1 -99 0 1 6.25 13.666 -99 25.000 -6.57701e-07 0.0999766 0.999999 -4.64735e-05 -0.0232422 6.6729e-08 1.3432e-09 3.1864e-08
|
||||
11 react 1 -99 0 1 6.5 13.3803 -99 25.000 -3.41177e-07 0.0999813 0.999999 -3.7219e-05 -0.018613 4.2359e-08 2.3391e-09 5.5230e-08
|
||||
12 react 1 -99 0 1 6.75 13.0946 -99 25.000 -1.40904e-07 0.0999854 0.999999 -2.91148e-05 -0.0145595 2.1076e-08 3.2169e-09 7.5642e-08
|
||||
13 react 1 -99 0 1 7 12.8088 -99 25.000 1.13439e-08 0.0999891 1 -2.20135e-05 -0.011008 8.7607e-09 3.7285e-09 8.7461e-08
|
||||
14 react 1 -99 0 1 7.25 12.5231 -99 25.000 1.67438e-07 0.0999923 1 -1.57484e-05 -0.0078748 3.3044e-09 3.9562e-09 9.2704e-08
|
||||
15 react 1 -99 0 1 7.5 12.2374 -99 25.000 3.80557e-07 0.0999953 1 -1.01328e-05 -0.00506665 1.1918e-09 4.0447e-09 9.4738e-08
|
||||
16 react 1 -99 0 1 7.75 11.9517 -99 25.000 7.23295e-07 0.0999982 1 -4.96214e-06 -0.00248112 4.2167e-10 4.0771e-09 9.5483e-08
|
||||
17 react 1 -99 0 1 8 11.666 -99 25.000 1.3124e-06 0.100001 1 -1.7871e-08 -8.9354e-06 1.4817e-10 4.0887e-09 9.5749e-08
|
||||
20 react 2 -99 0 1 5 15.0946 -99 25.000 -1.21096e-05 0.100042 0.999998 -0.000112354 -0.0562096 9.9686e-05 1.3167e-08 2.9577e-07
|
||||
21 react 2 -99 0 1 5.25 14.8088 -99 25.000 -6.80176e-06 0.10005 0.999998 -9.68903e-05 -0.0484692 9.9221e-05 3.6026e-08 7.3398e-07
|
||||
22 react 2 -99 0 1 5.5 14.5231 -99 25.000 -3.81085e-06 0.100056 0.999998 -8.25933e-05 -0.041314 9.8302e-05 9.7147e-08 1.5849e-06
|
||||
23 react 2 -99 0 1 5.75 14.2374 -99 25.000 -2.1182e-06 0.100062 0.999999 -6.96993e-05 -0.034862 9.6949e-05 2.5852e-07 2.7639e-06
|
||||
24 react 2 -99 0 1 6 13.9517 -99 25.000 -1.14729e-06 0.100066 0.999999 -5.82072e-05 -0.0291122 9.5439e-05 6.8198e-07 3.8284e-06
|
||||
25 react 2 -99 0 1 6.25 13.666 -99 25.000 -5.67452e-07 0.100069 0.999999 -4.8109e-05 -0.0240603 9.3655e-05 1.7788e-06 4.4775e-06
|
||||
26 react 2 -99 0 1 6.5 13.3802 -99 25.000 -1.82222e-07 0.100071 1 -3.95664e-05 -0.0197871 9.0590e-05 4.4736e-06 4.7812e-06
|
||||
27 react 2 -99 0 1 6.75 13.0945 -99 25.000 1.33839e-07 0.100068 1 -3.28749e-05 -0.0164401 8.4578e-05 1.0254e-05 4.9050e-06
|
||||
28 react 2 -99 0 1 7 12.8088 -99 25.000 4.7235e-07 0.10006 1 -2.81879e-05 -0.0140959 7.4599e-05 2.0021e-05 4.9534e-06
|
||||
29 react 2 -99 0 1 7.25 12.5231 -99 25.000 9.25371e-07 0.100049 1 -2.51184e-05 -0.0125608 6.1808e-05 3.2551e-05 4.9732e-06
|
||||
30 react 2 -99 0 1 7.5 12.2374 -99 25.000 1.63108e-06 0.100037 1 -2.28778e-05 -0.0114402 4.8410e-05 4.5580e-05 4.9823e-06
|
||||
31 react 2 -99 0 1 7.75 11.9514 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06
|
||||
32 react 2 -99 0 1 8 11.666 -99 25.000 4.94809e-06 0.100017 1 -1.85413e-05 -0.00927139 2.5143e-05 6.7388e-05 4.9897e-06
|
||||
5 react 1 -99 0 1 5 15.0933 -99 25.000 -1.21142e-05 0.0999426 0.999998 -0.000112255 -0.0561601 9.9667e-08 1.3174e-11 3.1450e-10
|
||||
6 react 1 -99 0 1 5.25 14.8076 -99 25.000 -6.81073e-06 0.0999508 0.999998 -9.66739e-05 -0.0483609 9.9094e-08 3.6062e-11 8.6083e-10
|
||||
7 react 1 -99 0 1 5.5 14.5219 -99 25.000 -3.8271e-06 0.0999584 0.999998 -8.21358e-05 -0.0410851 9.7570e-08 9.7072e-11 2.3165e-09
|
||||
8 react 1 -99 0 1 5.75 14.2362 -99 25.000 -2.14703e-06 0.0999652 0.999999 -6.88825e-05 -0.0344533 9.3666e-08 2.5380e-10 6.0522e-09
|
||||
9 react 1 -99 0 1 6 13.9505 -99 25.000 -1.19828e-06 0.0999713 0.999999 -5.70006e-05 -0.0285086 8.4496e-08 6.2324e-10 1.4836e-08
|
||||
10 react 1 -99 0 1 6.25 13.6647 -99 25.000 -6.57701e-07 0.0999766 0.999999 -4.64735e-05 -0.0232422 6.6729e-08 1.3432e-09 3.1864e-08
|
||||
11 react 1 -99 0 1 6.5 13.379 -99 25.000 -3.41177e-07 0.0999813 0.999999 -3.7219e-05 -0.018613 4.2359e-08 2.3391e-09 5.5230e-08
|
||||
12 react 1 -99 0 1 6.75 13.0933 -99 25.000 -1.40904e-07 0.0999854 0.999999 -2.91148e-05 -0.0145595 2.1076e-08 3.2169e-09 7.5642e-08
|
||||
13 react 1 -99 0 1 7 12.8076 -99 25.000 1.13439e-08 0.0999891 1 -2.20135e-05 -0.011008 8.7607e-09 3.7285e-09 8.7461e-08
|
||||
14 react 1 -99 0 1 7.25 12.5219 -99 25.000 1.67438e-07 0.0999923 1 -1.57484e-05 -0.00787483 3.3044e-09 3.9562e-09 9.2704e-08
|
||||
15 react 1 -99 0 1 7.5 12.2362 -99 25.000 3.80557e-07 0.0999953 1 -1.01328e-05 -0.00506665 1.1918e-09 4.0447e-09 9.4738e-08
|
||||
16 react 1 -99 0 1 7.75 11.9505 -99 25.000 7.23295e-07 0.0999982 1 -4.96214e-06 -0.00248112 4.2167e-10 4.0771e-09 9.5483e-08
|
||||
17 react 1 -99 0 1 8 11.6647 -99 25.000 1.3124e-06 0.100001 1 -1.7871e-08 -8.9354e-06 1.4817e-10 4.0887e-09 9.5749e-08
|
||||
20 react 2 -99 0 1 5 15.0933 -99 25.000 -1.21096e-05 0.100042 0.999998 -0.000112354 -0.0562096 9.9686e-05 1.3167e-08 2.9577e-07
|
||||
21 react 2 -99 0 1 5.25086 14.8066 -99 25.000 -6.78832e-06 0.10005 0.999998 -9.68392e-05 -0.0484436 9.9219e-05 3.6149e-08 7.3612e-07
|
||||
22 react 2 -99 0 1 5.5 14.5219 -99 25.000 -3.81085e-06 0.100056 0.999998 -8.25933e-05 -0.041314 9.8302e-05 9.7147e-08 1.5849e-06
|
||||
23 react 2 -99 0 1 5.75 14.2362 -99 25.000 -2.1182e-06 0.100062 0.999999 -6.96993e-05 -0.034862 9.6949e-05 2.5852e-07 2.7639e-06
|
||||
24 react 2 -99 0 1 6 13.9505 -99 25.000 -1.14729e-06 0.100066 0.999999 -5.82072e-05 -0.0291122 9.5439e-05 6.8198e-07 3.8284e-06
|
||||
25 react 2 -99 0 1 6.25 13.6647 -99 25.000 -5.67452e-07 0.100069 0.999999 -4.8109e-05 -0.0240603 9.3655e-05 1.7788e-06 4.4775e-06
|
||||
26 react 2 -99 0 1 6.5 13.379 -99 25.000 -1.82222e-07 0.100071 1 -3.95664e-05 -0.0197871 9.0590e-05 4.4736e-06 4.7812e-06
|
||||
27 react 2 -99 0 1 6.75 13.0932 -99 25.000 1.33839e-07 0.100068 1 -3.28749e-05 -0.0164401 8.4578e-05 1.0254e-05 4.9050e-06
|
||||
28 react 2 -99 0 1 7 12.8076 -99 25.000 4.7235e-07 0.10006 1 -2.81879e-05 -0.0140959 7.4599e-05 2.0021e-05 4.9534e-06
|
||||
29 react 2 -99 0 1 7.25 12.5219 -99 25.000 9.25371e-07 0.100049 1 -2.51184e-05 -0.0125608 6.1808e-05 3.2551e-05 4.9732e-06
|
||||
30 react 2 -99 0 1 7.5 12.2362 -99 25.000 1.63108e-06 0.100037 1 -2.28778e-05 -0.0114402 4.8410e-05 4.5580e-05 4.9823e-06
|
||||
31 react 2 -99 0 1 7.75 11.9502 -99 25.000 2.83165e-06 0.100026 1 -2.08025e-05 -0.0104023 3.5937e-05 5.7490e-05 4.9870e-06
|
||||
32 react 2 -99 0 1 8 11.6647 -99 25.000 4.94809e-06 0.100017 1 -1.85413e-05 -0.00927139 2.5143e-05 6.7388e-05 4.9897e-06
|
||||
|
||||
94
ex9.out
94
ex9.out
@ -181,7 +181,7 @@ Initial solution 1.
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.000
|
||||
pe = 13.629 Equilibrium with O2(g)
|
||||
pe = 13.625 Equilibrium with O2(g)
|
||||
Specific Conductance (µS/cm, 25°C) = 1190
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
@ -214,7 +214,7 @@ Fe_di 1.000e-04
|
||||
Fe_diCl+ 9.148e-07 8.240e-07 -6.039 -6.084 -0.045 (0)
|
||||
Fe_diOH+ 2.284e-07 2.057e-07 -6.641 -6.687 -0.045 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -224,7 +224,7 @@ O(0) 5.465e-04
|
||||
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -270,7 +270,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.669e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 6.045 Charge balance
|
||||
pe = 14.585 Adjusted to redox equilibrium
|
||||
pe = 14.580 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1191
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
@ -280,7 +280,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.669e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.298e-06
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 8.209e-16
|
||||
Electrical balance (eq) = 8.348e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 208 (195 overall)
|
||||
Total H = 1.110124e+02
|
||||
@ -317,7 +317,7 @@ Fe_tri 1.067e-06
|
||||
Fe_triCl3 3.360e-18 3.368e-18 -17.474 -17.473 0.001 (0)
|
||||
Fe_tri3(OH)4+5 3.491e-19 2.556e-20 -18.457 -19.592 -1.135 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -328,7 +328,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.64 5.64 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -370,7 +370,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.858e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.807 Charge balance
|
||||
pe = 14.823 Adjusted to redox equilibrium
|
||||
pe = 14.818 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1191
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
@ -380,7 +380,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.858e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 2.041e-06
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 8.134e-16
|
||||
Electrical balance (eq) = 8.290e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 27
|
||||
Total H = 1.110124e+02
|
||||
@ -417,7 +417,7 @@ Fe_tri 1.810e-06
|
||||
Fe_triCl3 1.785e-17 1.790e-17 -16.748 -16.747 0.001 (0)
|
||||
Fe_tri3(OH)4+5 5.855e-18 4.288e-19 -17.232 -18.368 -1.135 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -428,7 +428,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.66 5.66 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -470,7 +470,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.073e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.522 Charge balance
|
||||
pe = 15.107 Adjusted to redox equilibrium
|
||||
pe = 15.103 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1192
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
@ -480,7 +480,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.073e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.670e-06
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 9.043e-16
|
||||
Electrical balance (eq) = 9.147e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 67
|
||||
Total H = 1.110124e+02
|
||||
@ -517,7 +517,7 @@ Fe_tri 3.439e-06
|
||||
Fe_tri3(OH)4+5 1.621e-16 1.188e-17 -15.790 -16.925 -1.135 (0)
|
||||
Fe_triCl3 1.296e-16 1.299e-16 -15.888 -15.887 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -528,7 +528,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.66 5.66 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -570,7 +570,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.928e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.324 Charge balance
|
||||
pe = 15.305 Adjusted to redox equilibrium
|
||||
pe = 15.301 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1192
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
@ -580,7 +580,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.928e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 5.641e-06
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 6.887e-15
|
||||
Electrical balance (eq) = 6.902e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 26
|
||||
Total H = 1.110124e+02
|
||||
@ -617,7 +617,7 @@ Fe_tri 5.410e-06
|
||||
Fe_tri3(OH)4+5 1.600e-15 1.172e-16 -14.796 -15.931 -1.135 (0)
|
||||
Fe_triCl3 5.101e-16 5.113e-16 -15.292 -15.291 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -628,7 +628,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.66 5.66 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -670,7 +670,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.731e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.195 Charge balance
|
||||
pe = 15.435 Adjusted to redox equilibrium
|
||||
pe = 15.430 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1193
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
@ -680,7 +680,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.731e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 7.533e-06
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 6.899e-15
|
||||
Electrical balance (eq) = 6.918e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110124e+02
|
||||
@ -717,7 +717,7 @@ Fe_tri 7.302e-06
|
||||
Fe_tri3(OH)4+5 7.125e-15 5.221e-16 -14.147 -15.282 -1.135 (0)
|
||||
Fe_triCl3 1.248e-15 1.251e-15 -14.904 -14.903 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -728,7 +728,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.66 5.66 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -770,7 +770,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.071e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.072 Charge balance
|
||||
pe = 15.557 Adjusted to redox equilibrium
|
||||
pe = 15.553 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1194
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00315
|
||||
@ -780,7 +780,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.071e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 9.960e-06
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 6.911e-15
|
||||
Electrical balance (eq) = 6.935e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 24
|
||||
Total H = 1.110124e+02
|
||||
@ -817,7 +817,7 @@ Fe_tri 9.729e-06
|
||||
Fe_tri3(OH)4+5 2.927e-14 2.145e-15 -13.534 -14.668 -1.135 (0)
|
||||
Fe_triCl3 2.912e-15 2.919e-15 -14.536 -14.535 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -828,7 +828,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.66 5.66 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -870,7 +870,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.211e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 4.976 Charge balance
|
||||
pe = 15.653 Adjusted to redox equilibrium
|
||||
pe = 15.649 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1194
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00314
|
||||
@ -880,7 +880,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.211e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.244e-05
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 6.909e-15
|
||||
Electrical balance (eq) = 6.935e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 23
|
||||
Total H = 1.110124e+02
|
||||
@ -917,7 +917,7 @@ Fe_tri 1.221e-05
|
||||
Fe_tri3(OH)4+5 8.852e-14 6.490e-15 -13.053 -14.188 -1.135 (0)
|
||||
Fe_triCl3 5.655e-15 5.668e-15 -14.248 -14.247 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -928,7 +928,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.66 5.66 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -970,7 +970,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.790e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 4.882 Charge balance
|
||||
pe = 15.748 Adjusted to redox equilibrium
|
||||
pe = 15.744 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1195
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00314
|
||||
@ -980,7 +980,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.790e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.556e-05
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 6.909e-15
|
||||
Electrical balance (eq) = 6.940e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 23
|
||||
Total H = 1.110124e+02
|
||||
@ -1017,7 +1017,7 @@ Fe_tri 1.533e-05
|
||||
Fe_tri3(OH)4+5 2.644e-13 1.939e-14 -12.578 -13.712 -1.135 (0)
|
||||
Fe_triCl3 1.090e-14 1.093e-14 -13.963 -13.962 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -1028,7 +1028,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.66 5.66 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -1070,7 +1070,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.440e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 4.827 Charge balance
|
||||
pe = 15.803 Adjusted to redox equilibrium
|
||||
pe = 15.799 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1196
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00314
|
||||
@ -1080,7 +1080,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.440e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.774e-05
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 5.315e-14
|
||||
Electrical balance (eq) = 5.318e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
@ -1117,7 +1117,7 @@ Fe_tri 1.750e-05
|
||||
Fe_tri3(OH)4+5 4.979e-13 3.653e-14 -12.303 -13.437 -1.135 (0)
|
||||
Fe_triCl3 1.594e-14 1.597e-14 -13.798 -13.797 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -1128,7 +1128,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.67 5.67 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -1170,7 +1170,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.315e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 4.788 Charge balance
|
||||
pe = 15.842 Adjusted to redox equilibrium
|
||||
pe = 15.837 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1197
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00314
|
||||
@ -1180,7 +1180,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.315e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 1.946e-05
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 5.625e-14
|
||||
Electrical balance (eq) = 5.628e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
@ -1217,7 +1217,7 @@ Fe_tri 1.923e-05
|
||||
Fe_tri3(OH)4+5 7.776e-13 5.705e-14 -12.109 -13.244 -1.134 (0)
|
||||
Fe_triCl3 2.082e-14 2.087e-14 -13.681 -13.680 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -1228,7 +1228,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.67 5.67 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
@ -1270,7 +1270,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.633e-07
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 4.758 Charge balance
|
||||
pe = 15.871 Adjusted to redox equilibrium
|
||||
pe = 15.867 Adjusted to redox equilibrium
|
||||
Specific Conductance (µS/cm, 25°C) = 1197
|
||||
Density (g/cm³) = 0.99747
|
||||
Volume (L) = 1.00314
|
||||
@ -1280,7 +1280,7 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.633e-07
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 2.091e-05
|
||||
Temperature (°C) = 25.00
|
||||
Electrical balance (eq) = 5.667e-14
|
||||
Electrical balance (eq) = 5.670e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 20
|
||||
Total H = 1.110124e+02
|
||||
@ -1317,7 +1317,7 @@ Fe_tri 2.068e-05
|
||||
Fe_tri3(OH)4+5 1.096e-12 8.045e-14 -11.960 -13.094 -1.134 (0)
|
||||
Fe_triCl3 2.559e-14 2.565e-14 -13.592 -13.591 0.001 (0)
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.410 -44.409 0.001 28.61
|
||||
H2 0.000e+00 0.000e+00 -44.401 -44.400 0.001 28.61
|
||||
Na 1.000e-02
|
||||
Na+ 1.000e-02 9.022e-03 -2.000 -2.045 -0.045 -1.38
|
||||
O(0) 5.465e-04
|
||||
@ -1328,7 +1328,7 @@ O(0) 5.465e-04
|
||||
Phase SI** log IAP log K(298 K, 1 atm)
|
||||
|
||||
Goethite 6.67 5.67 -1.00 Fe_triOOH
|
||||
H2(g) -41.31 -44.41 -3.10 H2
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -5.65 -4.08 1.57 NaCl
|
||||
O2(g) -0.67 -3.56 -2.89 O2 Pressure 0.2 atm, phi 1.000
|
||||
|
||||
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Reference in New Issue
Block a user