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David L Parkhurst
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ex1.out
234
ex1.out
@ -111,7 +111,7 @@ 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) 4.377e-04 4.377e-04 Equilibrium with O2(g)
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O(0) 4.376e-04 4.376e-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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@ -120,20 +120,20 @@ 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 (uS/cm, 25 oC) = 53257
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Specific Conductance (uS/cm, 25 oC) = 53276
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Density (g/cm3) = 1.02327
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Volume (L) = 1.01473
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Volume (L) = 1.01472
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Activity of water = 0.981
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Ionic strength = 6.745e-01
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Ionic strength = 6.747e-01
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Mass of water (kg) = 1.000e+00
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Total carbon (mol/kg) = 2.257e-03
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Total CO2 (mol/kg) = 2.257e-03
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Total carbon (mol/kg) = 2.182e-03
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Total CO2 (mol/kg) = 2.182e-03
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Temperature (deg 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 = 1.110149e+02
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Total O = 5.563077e+01
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Total H = 1.110147e+02
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Total O = 5.563054e+01
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---------------------------------Redox couples---------------------------------
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@ -148,173 +148,173 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)
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Species Molality Activity Molality Activity Gamma cm3/mol
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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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H+ 7.984e-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) 2.257e-03
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HCO3- 1.238e-03 8.359e-04 -2.907 -3.078 -0.170 27.87
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NaHCO3 6.168e-04 7.205e-04 -3.210 -3.142 0.067 19.41
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MgHCO3+ 2.136e-04 1.343e-04 -3.670 -3.872 -0.201 5.82
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MgCO3 7.301e-05 8.527e-05 -4.137 -4.069 0.067 -17.09
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CaHCO3+ 3.717e-05 2.572e-05 -4.430 -4.590 -0.160 9.96
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CO3-2 3.128e-05 6.506e-06 -4.505 -5.187 -0.682 -0.34
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CaCO3 2.256e-05 2.636e-05 -4.647 -4.579 0.067 -14.60
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NaCO3- 1.477e-05 9.972e-06 -4.831 -5.001 -0.170 1.77
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CO2 9.887e-06 1.155e-05 -5.005 -4.937 0.067 30.26
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UO2(CO3)3-4 1.221e-08 1.143e-10 -7.913 -9.942 -2.029 (0)
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UO2(CO3)2-2 2.148e-09 6.681e-10 -8.668 -9.175 -0.507 (0)
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MnCO3 2.157e-10 2.519e-10 -9.666 -9.599 0.067 (0)
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MnHCO3+ 5.475e-11 3.631e-11 -10.262 -10.440 -0.178 (0)
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UO2CO3 1.074e-11 1.255e-11 -10.969 -10.901 0.067 (0)
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FeCO3 1.498e-20 1.749e-20 -19.825 -19.757 0.067 (0)
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FeHCO3+ 1.255e-20 9.369e-21 -19.902 -20.028 -0.127 (0)
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C(4) 2.182e-03
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HCO3- 1.485e-03 1.003e-03 -2.828 -2.999 -0.171 27.06
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MgHCO3+ 2.560e-04 1.610e-04 -3.592 -3.793 -0.201 5.82
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NaHCO3 1.658e-04 1.936e-04 -3.781 -3.713 0.067 2.13
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MgCO3 8.747e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
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NaCO3- 6.682e-05 4.990e-05 -4.175 -4.302 -0.127 3.18
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CaHCO3+ 4.453e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
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CO3-2 3.752e-05 7.803e-06 -4.426 -5.108 -0.682 -2.23
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CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
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CO2 1.186e-05 1.385e-05 -4.926 -4.858 0.067 29.09
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UO2(CO3)3-4 1.252e-08 1.173e-10 -7.902 -9.931 -2.028 (0)
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UO2(CO3)2-2 1.837e-09 5.716e-10 -8.736 -9.243 -0.507 (0)
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MnCO3 2.550e-10 2.979e-10 -9.593 -9.526 0.067 (0)
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MnHCO3+ 6.475e-11 4.294e-11 -10.189 -10.367 -0.178 (0)
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UO2CO3 7.662e-12 8.950e-12 -11.116 -11.048 0.067 (0)
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FeCO3 1.796e-20 2.098e-20 -19.746 -19.678 0.067 (0)
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FeHCO3+ 1.505e-20 1.124e-20 -19.823 -19.949 -0.127 (0)
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Ca 1.066e-02
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Ca+2 9.645e-03 2.412e-03 -2.016 -2.618 -0.602 -16.70
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CaSO4 9.560e-04 1.117e-03 -3.020 -2.952 0.067 7.50
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CaHCO3+ 3.717e-05 2.572e-05 -4.430 -4.590 -0.160 9.96
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CaCO3 2.256e-05 2.636e-05 -4.647 -4.579 0.067 -14.60
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CaOH+ 8.721e-08 6.513e-08 -7.059 -7.186 -0.127 (0)
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CaHSO4+ 5.922e-11 4.422e-11 -10.228 -10.354 -0.127 (0)
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Ca+2 9.634e-03 2.409e-03 -2.016 -2.618 -0.602 -16.69
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CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
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CaHCO3+ 4.453e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
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CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
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CaOH+ 8.711e-08 6.505e-08 -7.060 -7.187 -0.127 (0)
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CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
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Cl 5.657e-01
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Cl- 5.657e-01 3.568e-01 -0.247 -0.448 -0.200 18.79
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MnCl+ 1.068e-09 7.086e-10 -8.971 -9.150 -0.178 7.01
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MnCl2 9.449e-11 1.104e-10 -10.025 -9.957 0.067 (0)
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MnCl3- 1.635e-11 1.085e-11 -10.786 -10.965 -0.178 (0)
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FeCl+2 1.519e-18 2.939e-19 -17.819 -18.532 -0.713 (0)
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MnCl+ 1.053e-09 6.985e-10 -8.977 -9.156 -0.178 7.01
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MnCl2 9.314e-11 1.088e-10 -10.031 -9.963 0.067 (0)
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MnCl3- 1.612e-11 1.069e-11 -10.793 -10.971 -0.178 (0)
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FeCl+2 1.519e-18 2.939e-19 -17.818 -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+ 7.393e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
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FeCl+ 7.392e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
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FeCl3 1.431e-20 1.671e-20 -19.844 -19.777 0.067 (0)
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Fe(2) 6.437e-19
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Fe+2 4.891e-19 1.121e-19 -18.311 -18.950 -0.640 -20.66
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FeCl+ 7.393e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
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Fe(2) 6.492e-19
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Fe+2 4.892e-19 1.121e-19 -18.311 -18.950 -0.640 -20.66
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FeCl+ 7.392e-20 5.521e-20 -19.131 -19.258 -0.127 (0)
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FeSO4 4.443e-20 5.190e-20 -19.352 -19.285 0.067 (0)
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FeCO3 1.498e-20 1.749e-20 -19.825 -19.757 0.067 (0)
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FeHCO3+ 1.255e-20 9.369e-21 -19.902 -20.028 -0.127 (0)
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FeOH+ 8.697e-21 5.768e-21 -20.061 -20.239 -0.178 (0)
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Fe(OH)2 6.840e-24 7.989e-24 -23.165 -23.097 0.067 (0)
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Fe(OH)3- 7.283e-26 4.830e-26 -25.138 -25.316 -0.178 (0)
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FeHSO4+ 2.752e-27 2.056e-27 -26.560 -26.687 -0.127 (0)
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FeCO3 1.796e-20 2.098e-20 -19.746 -19.678 0.067 (0)
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FeHCO3+ 1.505e-20 1.124e-20 -19.823 -19.949 -0.127 (0)
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FeOH+ 8.698e-21 5.768e-21 -20.061 -20.239 -0.178 (0)
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Fe(OH)2 6.840e-24 7.990e-24 -23.165 -23.097 0.067 (0)
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Fe(OH)3- 7.284e-26 4.831e-26 -25.138 -25.316 -0.178 (0)
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FeHSO4+ 2.753e-27 2.056e-27 -26.560 -26.687 -0.127 (0)
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Fe(3) 3.711e-08
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Fe(OH)3 2.771e-08 3.237e-08 -7.557 -7.490 0.067 (0)
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Fe(OH)4- 7.114e-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 1.481e-13 2.865e-14 -12.830 -13.543 -0.713 (0)
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FeCl+2 1.519e-18 2.939e-19 -17.819 -18.532 -0.713 (0)
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Fe(OH)4- 7.114e-09 4.804e-09 -8.148 -8.318 -0.171 (0)
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Fe(OH)2+ 2.287e-09 1.544e-09 -8.641 -8.811 -0.171 (0)
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FeOH+2 1.481e-13 2.866e-14 -12.829 -13.543 -0.713 (0)
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FeCl+2 1.519e-18 2.939e-19 -17.818 -18.532 -0.713 (0)
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FeSO4+ 1.174e-18 7.786e-19 -17.930 -18.109 -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 3.431e-19 2.727e-20 -18.465 -19.564 -1.100 (0)
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Fe(SO4)2- 5.939e-20 4.435e-20 -19.226 -19.353 -0.127 (0)
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Fe+3 3.432e-19 2.727e-20 -18.464 -19.564 -1.100 (0)
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Fe(SO4)2- 5.939e-20 4.436e-20 -19.226 -19.353 -0.127 (0)
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FeCl3 1.431e-20 1.671e-20 -19.844 -19.777 0.067 (0)
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Fe2(OH)2+4 2.360e-24 2.210e-26 -23.627 -25.656 -2.029 (0)
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FeHSO4+2 4.039e-26 1.256e-26 -25.394 -25.901 -0.507 (0)
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Fe3(OH)4+5 1.054e-29 7.129e-33 -28.977 -32.147 -3.170 (0)
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Fe2(OH)2+4 2.359e-24 2.210e-26 -23.627 -25.656 -2.028 (0)
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FeHSO4+2 4.038e-26 1.256e-26 -25.394 -25.901 -0.507 (0)
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Fe3(OH)4+5 1.053e-29 7.130e-33 -28.978 -32.147 -3.169 (0)
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H(0) 0.000e+00
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H2 0.000e+00 0.000e+00 -44.470 -44.402 0.067 28.61
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K 1.058e-02
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K+ 1.040e-02 6.483e-03 -1.983 -2.188 -0.205 9.66
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KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.170 (0)
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KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 (0)
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Mg 5.507e-02
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Mg+2 4.759e-02 1.374e-02 -1.322 -1.862 -0.540 -20.41
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MgSO4 7.178e-03 8.384e-03 -2.144 -2.077 0.067 5.84
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MgHCO3+ 2.136e-04 1.343e-04 -3.670 -3.872 -0.201 5.82
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MgCO3 7.301e-05 8.527e-05 -4.137 -4.069 0.067 -17.09
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MgOH+ 1.152e-05 8.116e-06 -4.939 -5.091 -0.152 (0)
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Mg+2 4.754e-02 1.372e-02 -1.323 -1.863 -0.540 -20.41
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MgSO4 7.170e-03 8.375e-03 -2.144 -2.077 0.067 5.84
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MgHCO3+ 2.560e-04 1.610e-04 -3.592 -3.793 -0.201 5.82
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MgCO3 8.747e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
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MgOH+ 1.151e-05 8.107e-06 -4.939 -5.091 -0.152 (0)
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Mn(2) 3.773e-09
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Mn+2 2.127e-09 4.875e-10 -8.672 -9.312 -0.640 -15.99
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MnCl+ 1.068e-09 7.086e-10 -8.971 -9.150 -0.178 7.01
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MnCO3 2.157e-10 2.519e-10 -9.666 -9.599 0.067 (0)
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MnSO4 1.932e-10 2.257e-10 -9.714 -9.646 0.067 4.99
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MnCl2 9.449e-11 1.104e-10 -10.025 -9.957 0.067 (0)
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MnHCO3+ 5.475e-11 3.631e-11 -10.262 -10.440 -0.178 (0)
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MnCl3- 1.635e-11 1.085e-11 -10.786 -10.965 -0.178 (0)
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MnOH+ 3.074e-12 2.039e-12 -11.512 -11.691 -0.178 (0)
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Mn(OH)3- 5.020e-20 3.329e-20 -19.299 -19.478 -0.178 (0)
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Mn(NO3)2 1.344e-20 1.570e-20 -19.871 -19.804 0.067 (0)
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Mn(3) 5.354e-26
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Mn+3 5.354e-26 4.255e-27 -25.271 -26.371 -1.100 (0)
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Mn+2 2.097e-09 4.806e-10 -8.678 -9.318 -0.640 -15.99
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MnCl+ 1.053e-09 6.985e-10 -8.977 -9.156 -0.178 7.01
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MnCO3 2.550e-10 2.979e-10 -9.593 -9.526 0.067 (0)
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MnSO4 1.905e-10 2.225e-10 -9.720 -9.653 0.067 4.99
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MnCl2 9.314e-11 1.088e-10 -10.031 -9.963 0.067 (0)
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MnHCO3+ 6.475e-11 4.294e-11 -10.189 -10.367 -0.178 (0)
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MnCl3- 1.612e-11 1.069e-11 -10.793 -10.971 -0.178 (0)
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MnOH+ 3.031e-12 2.010e-12 -11.518 -11.697 -0.178 (0)
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Mn(OH)3- 4.949e-20 3.282e-20 -19.305 -19.484 -0.178 (0)
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Mn(NO3)2 1.325e-20 1.548e-20 -19.878 -19.810 0.067 (0)
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Mn(3) 5.279e-26
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Mn+3 5.279e-26 4.195e-27 -25.277 -26.377 -1.100 (0)
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N(-3) 1.724e-06
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NH4+ 1.610e-06 9.049e-07 -5.793 -6.043 -0.250 18.44
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NH3 7.327e-08 8.558e-08 -7.135 -7.068 0.067 24.46
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NH4+ 1.610e-06 9.048e-07 -5.793 -6.043 -0.250 18.44
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NH3 7.326e-08 8.557e-08 -7.135 -7.068 0.067 24.46
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NH4SO4- 4.064e-08 3.035e-08 -7.391 -7.518 -0.127 (0)
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N(5) 4.847e-06
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NO3- 4.847e-06 2.845e-06 -5.314 -5.546 -0.232 30.32
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Mn(NO3)2 1.344e-20 1.570e-20 -19.871 -19.804 0.067 (0)
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NO3- 4.847e-06 2.844e-06 -5.314 -5.546 -0.232 30.32
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Mn(NO3)2 1.325e-20 1.548e-20 -19.878 -19.810 0.067 (0)
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Na 4.854e-01
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Na+ 4.781e-01 3.431e-01 -0.320 -0.465 -0.144 -0.58
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NaSO4- 6.631e-03 4.478e-03 -2.178 -2.349 -0.170 22.62
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NaHCO3 6.168e-04 7.205e-04 -3.210 -3.142 0.067 19.41
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NaCO3- 1.477e-05 9.972e-06 -4.831 -5.001 -0.170 1.77
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NaOH 4.839e-17 5.652e-17 -16.315 -16.248 0.067 (0)
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O(0) 4.377e-04
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Na+ 4.785e-01 3.434e-01 -0.320 -0.464 -0.144 -0.58
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NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 22.62
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NaHCO3 1.658e-04 1.936e-04 -3.781 -3.713 0.067 2.13
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NaCO3- 6.682e-05 4.990e-05 -4.175 -4.302 -0.127 3.18
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NaOH 4.843e-17 5.657e-17 -16.315 -16.247 0.067 (0)
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O(0) 4.376e-04
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O2 2.188e-04 2.556e-04 -3.660 -3.592 0.067 30.40
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S(6) 2.926e-02
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SO4-2 1.432e-02 2.604e-03 -1.844 -2.584 -0.740 16.99
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MgSO4 7.178e-03 8.384e-03 -2.144 -2.077 0.067 5.84
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NaSO4- 6.631e-03 4.478e-03 -2.178 -2.349 -0.170 22.62
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CaSO4 9.560e-04 1.117e-03 -3.020 -2.952 0.067 7.50
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KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.170 (0)
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MgSO4 7.170e-03 8.375e-03 -2.144 -2.077 0.067 5.84
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NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 22.62
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CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
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KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 (0)
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NH4SO4- 4.064e-08 3.035e-08 -7.391 -7.518 -0.127 (0)
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HSO4- 2.042e-09 1.525e-09 -8.690 -8.817 -0.127 40.96
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MnSO4 1.932e-10 2.257e-10 -9.714 -9.646 0.067 4.99
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CaHSO4+ 5.922e-11 4.422e-11 -10.228 -10.354 -0.127 (0)
|
||||
MnSO4 1.905e-10 2.225e-10 -9.720 -9.653 0.067 4.99
|
||||
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
|
||||
FeSO4+ 1.174e-18 7.786e-19 -17.930 -18.109 -0.178 (0)
|
||||
Fe(SO4)2- 5.939e-20 4.435e-20 -19.226 -19.353 -0.127 (0)
|
||||
Fe(SO4)2- 5.939e-20 4.436e-20 -19.226 -19.353 -0.127 (0)
|
||||
FeSO4 4.443e-20 5.190e-20 -19.352 -19.285 0.067 (0)
|
||||
FeHSO4+2 4.039e-26 1.256e-26 -25.394 -25.901 -0.507 (0)
|
||||
FeHSO4+ 2.752e-27 2.056e-27 -26.560 -26.687 -0.127 (0)
|
||||
FeHSO4+2 4.038e-26 1.256e-26 -25.394 -25.901 -0.507 (0)
|
||||
FeHSO4+ 2.753e-27 2.056e-27 -26.560 -26.687 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.061e-05 8.248e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.210e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.095e-10 2.278e-11 -9.960 -10.642 -0.682 (0)
|
||||
U(4) 1.830e-21
|
||||
U(OH)5- 1.830e-21 1.367e-21 -20.738 -20.864 -0.127 (0)
|
||||
U(OH)4 2.922e-25 3.413e-25 -24.534 -24.467 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -46.746 -48.775 -2.029 (0)
|
||||
U(5) 2.871e-18
|
||||
UO2+ 2.871e-18 2.144e-18 -17.542 -17.669 -0.127 (0)
|
||||
H2SiO4-2 1.096e-10 2.279e-11 -9.960 -10.642 -0.682 (0)
|
||||
U(4) 1.088e-21
|
||||
U(OH)5- 1.088e-21 8.128e-22 -20.963 -21.090 -0.127 (0)
|
||||
U(OH)4 1.738e-25 2.030e-25 -24.760 -24.692 0.067 (0)
|
||||
U+4 0.000e+00 0.000e+00 -46.972 -49.000 -2.028 (0)
|
||||
U(5) 1.707e-18
|
||||
UO2+ 1.707e-18 1.275e-18 -17.768 -17.894 -0.127 (0)
|
||||
U(6) 1.437e-08
|
||||
UO2(CO3)3-4 1.221e-08 1.143e-10 -7.913 -9.942 -2.029 (0)
|
||||
UO2(CO3)2-2 2.148e-09 6.681e-10 -8.668 -9.175 -0.507 (0)
|
||||
UO2CO3 1.074e-11 1.255e-11 -10.969 -10.901 0.067 (0)
|
||||
UO2OH+ 5.991e-14 4.474e-14 -13.222 -13.349 -0.127 (0)
|
||||
UO2+2 5.350e-16 1.664e-16 -15.272 -15.779 -0.507 (0)
|
||||
(UO2)2(OH)2+2 5.579e-21 1.736e-21 -20.253 -20.761 -0.507 (0)
|
||||
(UO2)3(OH)5+ 1.610e-22 1.203e-22 -21.793 -21.920 -0.127 (0)
|
||||
UO2(CO3)3-4 1.252e-08 1.173e-10 -7.902 -9.931 -2.028 (0)
|
||||
UO2(CO3)2-2 1.837e-09 5.716e-10 -8.736 -9.243 -0.507 (0)
|
||||
UO2CO3 7.662e-12 8.950e-12 -11.116 -11.048 0.067 (0)
|
||||
UO2OH+ 3.563e-14 2.661e-14 -13.448 -13.575 -0.127 (0)
|
||||
UO2+2 3.182e-16 9.898e-17 -15.497 -16.004 -0.507 (0)
|
||||
(UO2)2(OH)2+2 1.973e-21 6.139e-22 -20.705 -21.212 -0.507 (0)
|
||||
(UO2)3(OH)5+ 3.387e-23 2.530e-23 -22.470 -22.597 -0.127 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.92 -5.20 -4.28 CaSO4
|
||||
Aragonite 0.53 -7.80 -8.34 CaCO3
|
||||
Calcite 0.68 -7.80 -8.48 CaCO3
|
||||
Anhydrite -0.93 -5.20 -4.28 CaSO4
|
||||
Aragonite 0.61 -7.73 -8.34 CaCO3
|
||||
Calcite 0.75 -7.73 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.36 35.56 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.48 -4.94 -1.46 CO2
|
||||
Dolomite 2.24 -14.85 -17.09 CaMg(CO3)2
|
||||
CO2(g) -3.40 -4.86 -1.46 CO2
|
||||
Dolomite 2.39 -14.70 -17.09 CaMg(CO3)2
|
||||
Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3
|
||||
Goethite 6.08 5.08 -1.00 FeOOH
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.30 -44.40 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
Halite -2.48 -0.91 1.57 NaCl
|
||||
Hausmannite 1.57 62.60 61.03 Mn3O4
|
||||
Hausmannite 1.55 62.58 61.03 Mn3O4
|
||||
Hematite 14.17 10.17 -4.01 Fe2O3
|
||||
Jarosite-K -7.57 -16.78 -9.21 KFe3(SO4)2(OH)6
|
||||
Manganite 2.40 27.74 25.34 MnOOH
|
||||
Manganite 2.39 27.73 25.34 MnOOH
|
||||
Melanterite -19.39 -21.59 -2.21 FeSO4:7H2O
|
||||
NH3(g) -8.86 -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
|
||||
Pyrochroite -8.10 7.10 15.20 Mn(OH)2
|
||||
Pyrolusite 6.97 48.35 41.38 MnO2:H2O
|
||||
Quartz -0.09 -4.07 -3.98 SiO2
|
||||
Rhodochrosite -3.37 -14.50 -11.13 MnCO3
|
||||
Rhodochrosite -3.30 -14.43 -11.13 MnCO3
|
||||
Sepiolite 1.15 16.91 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -1.75 16.91 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Siderite -13.25 -24.14 -10.89 FeCO3
|
||||
Siderite -13.17 -24.06 -10.89 FeCO3
|
||||
SiO2(a) -1.35 -4.07 -2.71 SiO2
|
||||
Sylvite -3.54 -2.64 0.90 KCl
|
||||
Talc 6.03 27.43 21.40 Mg3Si4O10(OH)2
|
||||
Uraninite -12.42 -15.91 -3.49 UO2
|
||||
Uraninite -12.65 -16.14 -3.49 UO2
|
||||
|
||||
|
||||
------------------
|
||||
|
||||
2
ex11.out
2
ex11.out
@ -208,6 +208,6 @@ Reading input data for simulation 3.
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40.
|
||||
------------------------------
|
||||
End of Run after 4.07 Seconds.
|
||||
End of Run after 4.11 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
2
ex12.out
2
ex12.out
@ -53,6 +53,6 @@ Reading input data for simulation 1.
|
||||
WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60.
|
||||
WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60.
|
||||
------------------------------
|
||||
End of Run after 1.46 Seconds.
|
||||
End of Run after 1.48 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
@ -165,7 +165,7 @@ WARNING: No dispersivities were read; disp = 0 assumed.
|
||||
7.5000e+00 1.0547e-05 1.2626e-06 -3.9008e-08 -2.6645e-09
|
||||
8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11
|
||||
|
||||
------------------------------
|
||||
End of Run after 1.29 Seconds.
|
||||
------------------------------
|
||||
-----------------------------
|
||||
End of Run after 1.3 Seconds.
|
||||
-----------------------------
|
||||
|
||||
|
||||
@ -770,7 +770,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000
|
||||
-end
|
||||
END
|
||||
------------------------------
|
||||
End of Run after 0.39 Seconds.
|
||||
------------------------------
|
||||
-----------------------------
|
||||
End of Run after 0.4 Seconds.
|
||||
-----------------------------
|
||||
|
||||
|
||||
492
ex14.out
492
ex14.out
@ -87,20 +87,20 @@ Initial solution 1. Brine
|
||||
|
||||
pH = 5.713
|
||||
pe = 14.962 Equilibrium with O2(g)
|
||||
Specific Conductance (uS/cm, 25 oC) = 485621
|
||||
Specific Conductance (uS/cm, 25 oC) = 485602
|
||||
Density (g/cm3) = 1.21497
|
||||
Volume (L) = 1.13864
|
||||
Activity of water = 0.785
|
||||
Ionic strength = 7.268e+00
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.842e-03
|
||||
Total alkalinity (eq/kg) = 3.827e-03
|
||||
Total CO2 (mol/kg) = 3.960e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -6.410e-16
|
||||
Electrical balance (eq) = -2.386e-14
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 15
|
||||
Iterations = 12
|
||||
Total H = 1.110163e+02
|
||||
Total O = 5.553698e+01
|
||||
Total O = 5.553696e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
@ -112,68 +112,68 @@ Initial solution 1. Brine
|
||||
H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07
|
||||
As 2.500e-08
|
||||
H2AsO4- 2.498e-08 1.373e-07 -7.602 -6.862 0.740 (0)
|
||||
H3AsO4 8.667e-12 4.621e-11 -11.062 -10.335 0.727 (0)
|
||||
HAsO4-2 8.521e-12 7.775e-09 -11.070 -8.109 2.960 (0)
|
||||
AsO4-3 2.775e-21 1.270e-14 -20.557 -13.896 6.661 (0)
|
||||
H3AsO4 8.667e-12 4.620e-11 -11.062 -10.335 0.727 (0)
|
||||
HAsO4-2 8.524e-12 7.774e-09 -11.069 -8.109 2.960 (0)
|
||||
AsO4-3 2.777e-21 1.270e-14 -20.556 -13.896 6.660 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -144.725 -143.999 0.727 32.22
|
||||
CH4 0.000e+00 0.000e+00 -144.673 -143.947 0.727 32.22
|
||||
C(4) 3.960e-03
|
||||
CaHCO3+ 1.691e-03 1.024e-03 -2.772 -2.990 -0.218 10.08
|
||||
MgHCO3+ 1.385e-03 6.898e-04 -2.859 -3.161 -0.303 6.01
|
||||
NaHCO3 5.704e-04 3.041e-03 -3.244 -2.517 0.727 19.41
|
||||
HCO3- 1.953e-04 1.129e-04 -3.709 -3.947 -0.238 54.45
|
||||
CO2 1.175e-04 6.266e-04 -3.930 -3.203 0.727 30.26
|
||||
CaCO3 6.125e-07 3.265e-06 -6.213 -5.486 0.727 -14.60
|
||||
MgCO3 2.556e-07 1.363e-06 -6.592 -5.866 0.727 -17.09
|
||||
NaCO3- 2.264e-07 1.310e-07 -6.645 -6.883 -0.238 20.09
|
||||
CO3-2 2.444e-08 2.735e-09 -7.612 -8.563 -0.951 17.09
|
||||
CaHCO3+ 1.904e-03 1.153e-03 -2.720 -2.938 -0.218 10.08
|
||||
MgHCO3+ 1.559e-03 7.763e-04 -2.807 -3.110 -0.303 6.01
|
||||
HCO3- 2.200e-04 1.272e-04 -3.658 -3.895 -0.238 44.52
|
||||
NaHCO3 1.439e-04 7.671e-04 -3.842 -3.115 0.727 2.13
|
||||
CO2 1.325e-04 7.061e-04 -3.878 -3.151 0.727 29.09
|
||||
CaCO3 6.898e-07 3.677e-06 -6.161 -5.435 0.727 -14.60
|
||||
MgCO3 2.876e-07 1.533e-06 -6.541 -5.814 0.727 -17.09
|
||||
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 34.77
|
||||
CO3-2 2.754e-08 3.082e-09 -7.560 -8.511 -0.951 7.76
|
||||
Ca 4.655e-01
|
||||
Ca+2 4.631e-01 7.107e-01 -0.334 -0.148 0.186 -13.79
|
||||
CaHCO3+ 1.691e-03 1.024e-03 -2.772 -2.990 -0.218 10.08
|
||||
CaSO4 7.014e-04 3.739e-03 -3.154 -2.427 0.727 7.50
|
||||
CaCO3 6.125e-07 3.265e-06 -6.213 -5.486 0.727 -14.60
|
||||
CaOH+ 8.695e-09 4.779e-08 -8.061 -7.321 0.740 (0)
|
||||
CaHSO4+ 8.659e-09 4.759e-08 -8.063 -7.322 0.740 (0)
|
||||
Ca+2 4.629e-01 7.102e-01 -0.335 -0.149 0.186 -13.79
|
||||
CaHCO3+ 1.904e-03 1.153e-03 -2.720 -2.938 -0.218 10.08
|
||||
CaSO4 7.012e-04 3.738e-03 -3.154 -2.427 0.727 7.50
|
||||
CaCO3 6.898e-07 3.677e-06 -6.161 -5.435 0.727 -14.60
|
||||
CaOH+ 8.691e-09 4.776e-08 -8.061 -7.321 0.740 (0)
|
||||
CaHSO4+ 8.657e-09 4.758e-08 -8.063 -7.323 0.740 (0)
|
||||
Cl 6.642e+00
|
||||
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
|
||||
Mg 1.609e-01
|
||||
Mg+2 1.588e-01 5.221e-01 -0.799 -0.282 0.517 -17.22
|
||||
MgHCO3+ 1.385e-03 6.898e-04 -2.859 -3.161 -0.303 6.01
|
||||
MgSO4 6.792e-04 3.621e-03 -3.168 -2.441 0.727 5.84
|
||||
MgOH+ 1.227e-06 7.680e-07 -5.911 -6.115 -0.204 (0)
|
||||
MgCO3 2.556e-07 1.363e-06 -6.592 -5.866 0.727 -17.09
|
||||
Mg+2 1.587e-01 5.214e-01 -0.800 -0.283 0.517 -17.22
|
||||
MgHCO3+ 1.559e-03 7.763e-04 -2.807 -3.110 -0.303 6.01
|
||||
MgSO4 6.786e-04 3.617e-03 -3.168 -2.442 0.727 5.84
|
||||
MgOH+ 1.226e-06 7.671e-07 -5.912 -6.115 -0.204 (0)
|
||||
MgCO3 2.876e-07 1.533e-06 -6.541 -5.814 0.727 -17.09
|
||||
Na 5.402e+00
|
||||
Na+ 5.399e+00 1.072e+01 0.732 1.030 0.298 1.77
|
||||
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 42.57
|
||||
NaHCO3 5.704e-04 3.041e-03 -3.244 -2.517 0.727 19.41
|
||||
NaCO3- 2.264e-07 1.310e-07 -6.645 -6.883 -0.238 20.09
|
||||
NaOH 8.247e-19 4.397e-18 -18.084 -17.357 0.727 (0)
|
||||
O(0) 9.589e-05
|
||||
O2 4.794e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
NaHCO3 1.439e-04 7.671e-04 -3.842 -3.115 0.727 2.13
|
||||
NaCO3- 1.119e-07 6.152e-07 -6.951 -6.211 0.740 34.77
|
||||
NaOH 8.248e-19 4.397e-18 -18.084 -17.357 0.727 (0)
|
||||
O(0) 9.590e-05
|
||||
O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -141.065 -140.338 0.727 37.16
|
||||
HS- 0.000e+00 0.000e+00 -141.232 -141.567 -0.335 23.12
|
||||
S-2 0.000e+00 0.000e+00 -147.759 -148.772 -1.013 (0)
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 2.749e-03 1.590e-03 -2.561 -2.799 -0.238 42.57
|
||||
CaSO4 7.014e-04 3.739e-03 -3.154 -2.427 0.727 7.50
|
||||
MgSO4 6.792e-04 3.621e-03 -3.168 -2.441 0.727 5.84
|
||||
SO4-2 5.958e-04 2.959e-05 -3.225 -4.529 -1.304 24.07
|
||||
CaHSO4+ 8.659e-09 4.759e-08 -8.063 -7.322 0.740 (0)
|
||||
HSO4- 1.013e-09 5.570e-09 -8.994 -8.254 0.740 42.16
|
||||
CaSO4 7.012e-04 3.738e-03 -3.154 -2.427 0.727 7.50
|
||||
MgSO4 6.786e-04 3.617e-03 -3.168 -2.442 0.727 5.84
|
||||
SO4-2 5.959e-04 2.959e-05 -3.225 -4.529 -1.304 24.07
|
||||
CaHSO4+ 8.657e-09 4.758e-08 -8.063 -7.323 0.740 (0)
|
||||
HSO4- 1.014e-09 5.572e-09 -8.994 -8.254 0.740 42.16
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.40 -4.68 -4.28 CaSO4
|
||||
Aragonite -0.38 -8.71 -8.34 CaCO3
|
||||
Calcite -0.23 -8.71 -8.48 CaCO3
|
||||
CH4(g) -141.16 -144.00 -2.84 CH4
|
||||
CO2(g) -1.74 -3.20 -1.46 CO2
|
||||
Dolomite -0.47 -17.56 -17.09 CaMg(CO3)2
|
||||
Aragonite -0.32 -8.66 -8.34 CaCO3
|
||||
Calcite -0.18 -8.66 -8.48 CaCO3
|
||||
CH4(g) -141.10 -143.95 -2.84 CH4
|
||||
CO2(g) -1.69 -3.15 -1.46 CO2
|
||||
Dolomite -0.36 -17.45 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.31 -4.89 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.40 -44.50 -3.10 H2
|
||||
H2O(g) -1.61 -0.11 1.50 H2O
|
||||
@ -218,101 +218,101 @@ 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 1.020e-01 1.984e-03
|
||||
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.016e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 1.021e-01 2.144e-03
|
||||
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.094e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
As 2.500e-08 2.500e-08
|
||||
C 4.008e-03 4.008e-03
|
||||
Ca 4.645e-01 4.645e-01
|
||||
C 4.004e-03 4.004e-03
|
||||
Ca 4.644e-01 4.644e-01
|
||||
Cl 6.642e+00 6.642e+00
|
||||
Mg 1.619e-01 1.619e-01
|
||||
Mg 1.620e-01 1.620e-01
|
||||
Na 5.402e+00 5.402e+00
|
||||
S 4.725e-03 4.725e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 5.936 Charge balance
|
||||
pe = 14.739 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 485604
|
||||
pH = 5.885 Charge balance
|
||||
pe = 14.789 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 485585
|
||||
Density (g/cm3) = 1.21496
|
||||
Volume (L) = 1.13864
|
||||
Activity of water = 0.785
|
||||
Ionic strength = 7.268e+00
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.939e-03
|
||||
Total CO2 (mol/kg) = 4.008e-03
|
||||
Total alkalinity (eq/kg) = 3.914e-03
|
||||
Total CO2 (mol/kg) = 4.004e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 4.981e-13
|
||||
Electrical balance (eq) = 1.036e-13
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 3
|
||||
Total H = 1.110163e+02
|
||||
Total O = 5.553712e+01
|
||||
Total O = 5.553709e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
H+ 1.651e-06 1.160e-06 -5.782 -5.936 -0.153 0.00
|
||||
OH- 1.482e-08 6.848e-09 -7.829 -8.164 -0.335 6.33
|
||||
H+ 1.854e-06 1.303e-06 -5.732 -5.885 -0.153 0.00
|
||||
OH- 1.320e-08 6.096e-09 -7.880 -8.215 -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 1.373e-07 -7.602 -6.862 0.740 (0)
|
||||
HAsO4-2 1.423e-11 1.298e-08 -10.847 -7.887 2.960 (0)
|
||||
H3AsO4 5.190e-12 2.767e-11 -11.285 -10.558 0.727 (0)
|
||||
AsO4-3 7.735e-21 3.540e-14 -20.112 -13.451 6.660 (0)
|
||||
HAsO4-2 1.267e-11 1.156e-08 -10.897 -7.937 2.960 (0)
|
||||
H3AsO4 5.830e-12 3.108e-11 -11.234 -10.508 0.727 (0)
|
||||
AsO4-3 6.137e-21 2.805e-14 -20.212 -13.552 6.660 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -144.938 -144.211 0.727 32.22
|
||||
C(4) 4.008e-03
|
||||
CaHCO3+ 1.726e-03 1.045e-03 -2.763 -2.981 -0.218 10.08
|
||||
MgHCO3+ 1.425e-03 7.100e-04 -2.846 -3.149 -0.303 6.01
|
||||
NaHCO3 5.835e-04 3.111e-03 -3.234 -2.507 0.727 19.41
|
||||
HCO3- 1.997e-04 1.155e-04 -3.700 -3.937 -0.238 54.45
|
||||
CO2 7.201e-05 3.839e-04 -4.143 -3.416 0.727 30.26
|
||||
CH4 0.000e+00 0.000e+00 -144.837 -144.110 0.727 32.22
|
||||
C(4) 4.004e-03
|
||||
CaHCO3+ 1.938e-03 1.174e-03 -2.713 -2.930 -0.218 10.08
|
||||
MgHCO3+ 1.601e-03 7.975e-04 -2.796 -3.098 -0.303 6.01
|
||||
HCO3- 2.245e-04 1.299e-04 -3.649 -3.887 -0.238 44.53
|
||||
NaHCO3 1.469e-04 7.829e-04 -3.833 -3.106 0.727 2.13
|
||||
CO2 9.094e-05 4.848e-04 -4.041 -3.314 0.727 29.09
|
||||
CaCO3 1.044e-06 5.565e-06 -5.981 -5.255 0.727 -14.60
|
||||
MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 -17.09
|
||||
NaCO3- 3.868e-07 2.237e-07 -6.413 -6.650 -0.238 20.09
|
||||
CO3-2 4.175e-08 4.671e-09 -7.379 -8.331 -0.951 17.09
|
||||
Ca 4.645e-01
|
||||
Ca+2 4.621e-01 7.091e-01 -0.335 -0.149 0.186 -13.79
|
||||
CaHCO3+ 1.726e-03 1.045e-03 -2.763 -2.981 -0.218 10.08
|
||||
CaSO4 6.994e-04 3.729e-03 -3.155 -2.428 0.727 7.50
|
||||
NaCO3- 1.698e-07 9.333e-07 -6.770 -6.030 0.740 34.77
|
||||
CO3-2 4.178e-08 4.675e-09 -7.379 -8.330 -0.951 7.76
|
||||
Ca 4.644e-01
|
||||
Ca+2 4.618e-01 7.086e-01 -0.336 -0.150 0.186 -13.79
|
||||
CaHCO3+ 1.938e-03 1.174e-03 -2.713 -2.930 -0.218 10.08
|
||||
CaSO4 6.991e-04 3.727e-03 -3.155 -2.429 0.727 7.50
|
||||
CaCO3 1.044e-06 5.565e-06 -5.981 -5.255 0.727 -14.60
|
||||
CaOH+ 1.449e-08 7.962e-08 -7.839 -7.099 0.740 (0)
|
||||
CaHSO4+ 5.172e-09 2.842e-08 -8.286 -7.546 0.740 (0)
|
||||
CaOH+ 1.289e-08 7.083e-08 -7.890 -7.150 0.740 (0)
|
||||
CaHSO4+ 5.807e-09 3.191e-08 -8.236 -7.496 0.740 (0)
|
||||
Cl 6.642e+00
|
||||
Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61
|
||||
Mg 1.619e-01
|
||||
Mg+2 1.598e-01 5.253e-01 -0.796 -0.280 0.517 -17.22
|
||||
MgHCO3+ 1.425e-03 7.100e-04 -2.846 -3.149 -0.303 6.01
|
||||
MgSO4 6.830e-04 3.641e-03 -3.166 -2.439 0.727 5.84
|
||||
MgOH+ 2.062e-06 1.290e-06 -5.686 -5.889 -0.204 (0)
|
||||
Mg 1.620e-01
|
||||
Mg+2 1.597e-01 5.249e-01 -0.797 -0.280 0.517 -17.22
|
||||
MgHCO3+ 1.601e-03 7.975e-04 -2.796 -3.098 -0.303 6.01
|
||||
MgSO4 6.827e-04 3.639e-03 -3.166 -2.439 0.727 5.84
|
||||
MgOH+ 1.834e-06 1.148e-06 -5.737 -5.940 -0.204 (0)
|
||||
MgCO3 4.392e-07 2.341e-06 -6.357 -5.631 0.727 -17.09
|
||||
Na 5.402e+00
|
||||
Na+ 5.399e+00 1.072e+01 0.732 1.030 0.298 1.77
|
||||
NaSO4- 2.747e-03 1.589e-03 -2.561 -2.799 -0.238 42.57
|
||||
NaHCO3 5.835e-04 3.111e-03 -3.234 -2.507 0.727 19.41
|
||||
NaCO3- 3.868e-07 2.237e-07 -6.413 -6.650 -0.238 20.09
|
||||
NaOH 1.377e-18 7.341e-18 -17.861 -17.134 0.727 (0)
|
||||
O(0) 9.589e-05
|
||||
O2 4.794e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
NaSO4- 2.748e-03 1.589e-03 -2.561 -2.799 -0.238 42.57
|
||||
NaHCO3 1.469e-04 7.829e-04 -3.833 -3.106 0.727 2.13
|
||||
NaCO3- 1.698e-07 9.333e-07 -6.770 -6.030 0.740 34.77
|
||||
NaOH 1.226e-18 6.536e-18 -17.911 -17.185 0.727 (0)
|
||||
O(0) 9.590e-05
|
||||
O2 4.795e-05 2.556e-04 -4.319 -3.592 0.727 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -141.455 -141.790 -0.335 23.12
|
||||
H2S 0.000e+00 0.000e+00 -141.511 -140.784 0.727 37.16
|
||||
HS- 0.000e+00 0.000e+00 -141.404 -141.739 -0.335 23.12
|
||||
H2S 0.000e+00 0.000e+00 -141.410 -140.683 0.727 37.16
|
||||
S-2 0.000e+00 0.000e+00 -147.759 -148.772 -1.013 (0)
|
||||
S(6) 4.725e-03
|
||||
NaSO4- 2.747e-03 1.589e-03 -2.561 -2.799 -0.238 42.57
|
||||
CaSO4 6.994e-04 3.729e-03 -3.155 -2.428 0.727 7.50
|
||||
MgSO4 6.830e-04 3.641e-03 -3.166 -2.439 0.727 5.84
|
||||
SO4-2 5.955e-04 2.957e-05 -3.225 -4.529 -1.304 24.07
|
||||
CaHSO4+ 5.172e-09 2.842e-08 -8.286 -7.546 0.740 (0)
|
||||
HSO4- 6.066e-10 3.334e-09 -9.217 -8.477 0.740 42.16
|
||||
NaSO4- 2.748e-03 1.589e-03 -2.561 -2.799 -0.238 42.57
|
||||
CaSO4 6.991e-04 3.727e-03 -3.155 -2.429 0.727 7.50
|
||||
MgSO4 6.827e-04 3.639e-03 -3.166 -2.439 0.727 5.84
|
||||
SO4-2 5.956e-04 2.958e-05 -3.225 -4.529 -1.304 24.07
|
||||
CaHSO4+ 5.807e-09 3.191e-08 -8.236 -7.496 0.740 (0)
|
||||
HSO4- 6.816e-10 3.746e-09 -9.166 -8.426 0.740 42.16
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -321,16 +321,16 @@ S(6) 4.725e-03
|
||||
Anhydrite -0.40 -4.68 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -141.37 -144.21 -2.84 CH4
|
||||
CO2(g) -1.96 -3.42 -1.46 CO2
|
||||
CH4(g) -141.27 -144.11 -2.84 CH4
|
||||
CO2(g) -1.85 -3.31 -1.46 CO2
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.31 -4.89 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.40 -44.50 -3.10 H2
|
||||
H2O(g) -1.61 -0.11 1.50 H2O
|
||||
H2S(g) -139.73 -147.73 -7.99 H2S
|
||||
H2S(g) -139.63 -147.62 -7.99 H2S
|
||||
Halite 0.08 1.65 1.57 NaCl
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -104.32 -99.43 4.88 S
|
||||
Sulfur -104.22 -99.33 4.88 S
|
||||
|
||||
|
||||
------------------
|
||||
@ -362,8 +362,8 @@ X 1.000e+00 mol
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
NaX 9.011e-01 9.011e-01 9.011e-01 0.298
|
||||
CaX2 4.061e-02 8.122e-02 8.122e-02 0.186
|
||||
MgX2 8.861e-03 1.772e-02 1.772e-02 0.517
|
||||
CaX2 4.058e-02 8.117e-02 8.117e-02 0.186
|
||||
MgX2 8.856e-03 1.771e-02 1.771e-02 0.517
|
||||
|
||||
------------------------------------------------------
|
||||
Beginning of initial surface-composition calculations.
|
||||
@ -372,11 +372,11 @@ Beginning of initial surface-composition calculations.
|
||||
Surface 1.
|
||||
|
||||
Surf
|
||||
4.995e-02 Surface charge, eq
|
||||
2.678e-01 sigma, C/m**2
|
||||
3.950e-02 psi, V
|
||||
-1.537e+00 -F*psi/RT
|
||||
2.149e-01 exp(-F*psi/RT)
|
||||
5.159e-02 Surface charge, eq
|
||||
2.765e-01 sigma, C/m**2
|
||||
4.058e-02 psi, V
|
||||
-1.579e+00 -F*psi/RT
|
||||
2.061e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m**2/g
|
||||
1.800e+04 m**2 for 3.000e+01 g
|
||||
|
||||
@ -386,12 +386,12 @@ Surf
|
||||
Mole Log
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
SurfOH2+ 5.572e-02 0.796 5.572e-02 -1.254
|
||||
SurfOH 1.146e-02 0.164 1.146e-02 -1.941
|
||||
SurfOHAsO4-3 1.554e-03 0.022 1.554e-03 -2.809
|
||||
SurfHAsO4- 1.047e-03 0.015 1.047e-03 -2.980
|
||||
SurfH2AsO4 1.647e-04 0.002 1.647e-04 -3.783
|
||||
SurfO- 5.403e-05 0.001 5.403e-05 -4.267
|
||||
SurfOH2+ 5.662e-02 0.809 5.662e-02 -1.247
|
||||
SurfOH 1.081e-02 0.154 1.081e-02 -1.966
|
||||
SurfOHAsO4-3 1.317e-03 0.019 1.317e-03 -2.880
|
||||
SurfHAsO4- 1.030e-03 0.015 1.030e-03 -2.987
|
||||
SurfH2AsO4 1.745e-04 0.002 1.745e-04 -3.758
|
||||
SurfO- 4.732e-05 0.001 4.732e-05 -4.325
|
||||
|
||||
------------------
|
||||
End of simulation.
|
||||
@ -448,7 +448,7 @@ Initial solution 0. 20 x precipitation
|
||||
Total alkalinity (eq/kg) = -2.630e-05
|
||||
Total CO2 (mol/kg) = 1.096e-05
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 7.348e-16
|
||||
Electrical balance (eq) = 7.532e-16
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
@ -465,15 +465,15 @@ Initial solution 0. 20 x precipitation
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -145.553 -145.553 0.000 32.22
|
||||
C(4) 1.096e-05
|
||||
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 30.26
|
||||
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.59
|
||||
CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 29.09
|
||||
HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.71
|
||||
CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67
|
||||
MgHCO3+ 6.903e-11 6.657e-11 -10.161 -10.177 -0.016 5.48
|
||||
NaHCO3 5.658e-11 5.659e-11 -10.247 -10.247 0.000 19.41
|
||||
CO3-2 4.106e-13 3.559e-13 -12.387 -12.449 -0.062 -4.37
|
||||
NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 2.13
|
||||
CO3-2 4.106e-13 3.559e-13 -12.387 -12.449 -0.062 -5.51
|
||||
CaCO3 9.631e-14 9.634e-14 -13.016 -13.016 0.000 -14.60
|
||||
MgCO3 1.013e-14 1.014e-14 -13.994 -13.994 0.000 -17.09
|
||||
NaCO3- 1.947e-16 1.879e-16 -15.711 -15.726 -0.016 -0.66
|
||||
NaCO3- 8.122e-16 7.833e-16 -15.090 -15.106 -0.016 -0.61
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.860e-04 1.612e-04 -3.731 -3.793 -0.062 -18.14
|
||||
CaSO4 5.643e-06 5.644e-06 -5.248 -5.248 0.000 7.50
|
||||
@ -494,8 +494,8 @@ Mg 3.580e-05
|
||||
Na 1.227e-04
|
||||
Na+ 1.225e-04 1.182e-04 -3.912 -3.927 -0.016 -1.39
|
||||
NaSO4- 1.209e-07 1.167e-07 -6.917 -6.933 -0.016 18.43
|
||||
NaHCO3 5.658e-11 5.659e-11 -10.247 -10.247 0.000 19.41
|
||||
NaCO3- 1.947e-16 1.879e-16 -15.711 -15.726 -0.016 -0.66
|
||||
NaHCO3 1.267e-11 1.267e-11 -10.897 -10.897 0.000 2.13
|
||||
NaCO3- 8.122e-16 7.833e-16 -15.090 -15.106 -0.016 -0.61
|
||||
NaOH 4.762e-24 4.763e-24 -23.322 -23.322 0.000 (0)
|
||||
O(0) 5.111e-04
|
||||
O2 2.555e-04 2.556e-04 -3.593 -3.592 0.000 30.40
|
||||
@ -544,114 +544,114 @@ Using pure phase assemblage 0.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -1.50 -2.96 -1.46 1.000e+01 9.996e+00 -4.106e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 9.966e-02 -3.445e-04
|
||||
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.359e-03
|
||||
CO2(g) -1.50 -2.96 -1.46 1.000e+01 9.996e+00 -4.100e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e-01 9.966e-02 -3.439e-04
|
||||
Dolomite 0.00 -17.09 -17.09 1.600e+00 1.599e+00 -1.357e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 7.180e-03 7.180e-03
|
||||
Ca 1.895e-03 1.895e-03
|
||||
C 7.170e-03 7.170e-03
|
||||
Ca 1.893e-03 1.893e-03
|
||||
Cl 1.337e-04 1.337e-04
|
||||
Mg 1.395e-03 1.395e-03
|
||||
Mg 1.393e-03 1.393e-03
|
||||
Na 1.227e-04 1.227e-04
|
||||
S 2.351e-04 2.351e-04
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.042 Charge balance
|
||||
pe = 13.580 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 589
|
||||
pH = 7.043 Charge balance
|
||||
pe = 13.579 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 588
|
||||
Density (g/cm3) = 0.99748
|
||||
Volume (L) = 1.00341
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 9.697e-03
|
||||
Ionic strength = 9.688e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 6.099e-03
|
||||
Total CO2 (mol/kg) = 7.180e-03
|
||||
Total alkalinity (eq/kg) = 6.092e-03
|
||||
Total CO2 (mol/kg) = 7.170e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.337e-15
|
||||
Electrical balance (eq) = 2.287e-15
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 9
|
||||
Total H = 1.110125e+02
|
||||
Total O = 5.552509e+01
|
||||
Total O = 5.552507e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 1.236e-07 1.114e-07 -6.908 -6.953 -0.045 -4.03
|
||||
H+ 9.931e-08 9.080e-08 -7.003 -7.042 -0.039 0.00
|
||||
OH- 1.239e-07 1.116e-07 -6.907 -6.952 -0.045 -4.03
|
||||
H+ 9.913e-08 9.064e-08 -7.004 -7.043 -0.039 0.00
|
||||
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 -143.548 -143.547 0.001 32.22
|
||||
C(4) 7.180e-03
|
||||
HCO3- 5.921e-03 5.366e-03 -2.228 -2.270 -0.043 24.69
|
||||
CO2 1.093e-03 1.096e-03 -2.961 -2.960 0.001 30.26
|
||||
CaHCO3+ 9.015e-05 8.183e-05 -4.045 -4.087 -0.042 9.72
|
||||
MgHCO3+ 6.159e-05 5.559e-05 -4.211 -4.255 -0.044 5.53
|
||||
CH4 0.000e+00 0.000e+00 -143.549 -143.548 0.001 32.22
|
||||
C(4) 7.170e-03
|
||||
HCO3- 5.916e-03 5.361e-03 -2.228 -2.271 -0.043 24.80
|
||||
CO2 1.090e-03 1.093e-03 -2.962 -2.961 0.001 29.09
|
||||
CaHCO3+ 8.999e-05 8.169e-05 -4.046 -4.088 -0.042 9.72
|
||||
MgHCO3+ 6.147e-05 5.549e-05 -4.211 -4.256 -0.044 5.53
|
||||
CaCO3 5.552e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
|
||||
CO3-2 4.109e-06 2.771e-06 -5.386 -5.557 -0.171 -4.11
|
||||
CO3-2 4.112e-06 2.774e-06 -5.386 -5.557 -0.171 -5.25
|
||||
MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 -17.09
|
||||
NaHCO3 1.474e-06 1.477e-06 -5.832 -5.831 0.001 19.41
|
||||
NaCO3- 1.497e-09 1.356e-09 -8.825 -8.868 -0.043 -0.58
|
||||
Ca 1.895e-03
|
||||
Ca+2 1.773e-03 1.195e-03 -2.751 -2.923 -0.171 -17.93
|
||||
CaHCO3+ 9.015e-05 8.183e-05 -4.045 -4.087 -0.042 9.72
|
||||
CaSO4 2.610e-05 2.616e-05 -4.583 -4.582 0.001 7.50
|
||||
NaHCO3 3.327e-07 3.334e-07 -6.478 -6.477 0.001 2.13
|
||||
NaCO3- 6.325e-09 5.712e-09 -8.199 -8.243 -0.044 -0.51
|
||||
Ca 1.893e-03
|
||||
Ca+2 1.771e-03 1.194e-03 -2.752 -2.923 -0.171 -17.93
|
||||
CaHCO3+ 8.999e-05 8.169e-05 -4.046 -4.088 -0.042 9.72
|
||||
CaSO4 2.608e-05 2.614e-05 -4.584 -4.583 0.001 7.50
|
||||
CaCO3 5.552e-06 5.565e-06 -5.256 -5.255 0.001 -14.60
|
||||
CaOH+ 2.418e-09 2.184e-09 -8.616 -8.661 -0.044 (0)
|
||||
CaHSO4+ 1.729e-11 1.561e-11 -10.762 -10.807 -0.044 (0)
|
||||
CaOH+ 2.420e-09 2.186e-09 -8.616 -8.660 -0.044 (0)
|
||||
CaHSO4+ 1.724e-11 1.557e-11 -10.763 -10.808 -0.044 (0)
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
|
||||
Mg 1.395e-03
|
||||
Mg+2 1.305e-03 8.854e-04 -2.884 -3.053 -0.169 -21.62
|
||||
MgHCO3+ 6.159e-05 5.559e-05 -4.211 -4.255 -0.044 5.53
|
||||
MgSO4 2.548e-05 2.554e-05 -4.594 -4.593 0.001 5.84
|
||||
Mg 1.393e-03
|
||||
Mg+2 1.304e-03 8.846e-04 -2.885 -3.053 -0.169 -21.62
|
||||
MgHCO3+ 6.147e-05 5.549e-05 -4.211 -4.256 -0.044 5.53
|
||||
MgSO4 2.547e-05 2.553e-05 -4.594 -4.593 0.001 5.84
|
||||
MgCO3 2.336e-06 2.341e-06 -5.631 -5.631 0.001 -17.09
|
||||
MgOH+ 3.894e-08 3.539e-08 -7.410 -7.451 -0.041 (0)
|
||||
MgOH+ 3.898e-08 3.543e-08 -7.409 -7.451 -0.041 (0)
|
||||
Na 1.227e-04
|
||||
Na+ 1.211e-04 1.096e-04 -3.917 -3.960 -0.044 -1.32
|
||||
NaHCO3 1.474e-06 1.477e-06 -5.832 -5.831 0.001 19.41
|
||||
NaSO4- 7.456e-08 6.757e-08 -7.127 -7.170 -0.043 18.60
|
||||
NaCO3- 1.497e-09 1.356e-09 -8.825 -8.868 -0.043 -0.58
|
||||
NaOH 1.218e-21 1.221e-21 -20.914 -20.913 0.001 (0)
|
||||
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.044 -1.32
|
||||
NaHCO3 3.327e-07 3.334e-07 -6.478 -6.477 0.001 2.13
|
||||
NaSO4- 7.529e-08 6.823e-08 -7.123 -7.166 -0.043 18.60
|
||||
NaCO3- 6.325e-09 5.712e-09 -8.199 -8.243 -0.044 -0.51
|
||||
NaOH 1.232e-21 1.235e-21 -20.909 -20.908 0.001 (0)
|
||||
O(0) 5.111e-04
|
||||
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -142.234 -142.279 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.380 -142.379 0.001 37.16
|
||||
H2S 0.000e+00 0.000e+00 -142.381 -142.380 0.001 37.16
|
||||
S-2 0.000e+00 0.000e+00 -147.982 -148.155 -0.173 (0)
|
||||
S(6) 2.351e-04
|
||||
SO4-2 1.834e-04 1.231e-04 -3.737 -3.910 -0.173 14.26
|
||||
CaSO4 2.610e-05 2.616e-05 -4.583 -4.582 0.001 7.50
|
||||
MgSO4 2.548e-05 2.554e-05 -4.594 -4.593 0.001 5.84
|
||||
NaSO4- 7.456e-08 6.757e-08 -7.127 -7.170 -0.043 18.60
|
||||
HSO4- 1.203e-09 1.086e-09 -8.920 -8.964 -0.044 40.34
|
||||
CaHSO4+ 1.729e-11 1.561e-11 -10.762 -10.807 -0.044 (0)
|
||||
CaSO4 2.608e-05 2.614e-05 -4.584 -4.583 0.001 7.50
|
||||
MgSO4 2.547e-05 2.553e-05 -4.594 -4.593 0.001 5.84
|
||||
NaSO4- 7.529e-08 6.823e-08 -7.123 -7.166 -0.043 18.60
|
||||
HSO4- 1.201e-09 1.085e-09 -8.920 -8.965 -0.044 40.34
|
||||
CaHSO4+ 1.724e-11 1.557e-11 -10.763 -10.808 -0.044 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -2.55 -6.83 -4.28 CaSO4
|
||||
Anhydrite -2.56 -6.83 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -140.70 -143.55 -2.84 CH4
|
||||
CH4(g) -140.71 -143.55 -2.84 CH4
|
||||
CO2(g) -1.50 -2.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -2.25 -6.83 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -141.33 -149.32 -7.99 H2S
|
||||
Halite -9.45 -7.88 1.57 NaCl
|
||||
Halite -9.44 -7.87 1.57 NaCl
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -106.02 -101.13 4.88 S
|
||||
Sulfur -106.02 -101.14 4.88 S
|
||||
|
||||
|
||||
------------------
|
||||
@ -897,16 +897,16 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5.
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite -0.00 -8.48 -8.48 0.000e+00 0 0.000e+00
|
||||
Dolomite 0.00 -17.09 -17.09 1.568e+00 1.568e+00 3.563e-07
|
||||
Dolomite 0.00 -17.09 -17.09 1.568e+00 1.568e+00 3.650e-07
|
||||
|
||||
------------------------------Surface composition------------------------------
|
||||
|
||||
Surf
|
||||
2.228e-03 Surface charge, eq
|
||||
1.195e-02 sigma, C/m**2
|
||||
4.652e-02 psi, V
|
||||
-1.811e+00 -F*psi/RT
|
||||
1.636e-01 exp(-F*psi/RT)
|
||||
2.287e-03 Surface charge, eq
|
||||
1.226e-02 sigma, C/m**2
|
||||
4.750e-02 psi, V
|
||||
-1.849e+00 -F*psi/RT
|
||||
1.574e-01 exp(-F*psi/RT)
|
||||
6.000e+02 specific area, m**2/g
|
||||
1.800e+04 m**2 for 3.000e+01 g
|
||||
|
||||
@ -916,12 +916,12 @@ Surf
|
||||
Mole Log
|
||||
Species Moles Fraction Molality Molality
|
||||
|
||||
SurfOH 4.915e-02 0.702 4.916e-02 -1.308
|
||||
SurfOH2+ 1.425e-02 0.204 1.425e-02 -1.846
|
||||
SurfO- 3.885e-03 0.056 3.886e-03 -2.411
|
||||
SurfOHAsO4-3 2.709e-03 0.039 2.709e-03 -2.567
|
||||
SurfHAsO4- 5.095e-06 0.000 5.095e-06 -5.293
|
||||
SurfH2AsO4 4.778e-08 0.000 4.779e-08 -7.321
|
||||
SurfOH 4.962e-02 0.709 4.962e-02 -1.304
|
||||
SurfOH2+ 1.381e-02 0.197 1.381e-02 -1.860
|
||||
SurfO- 4.083e-03 0.058 4.083e-03 -2.389
|
||||
SurfOHAsO4-3 2.480e-03 0.035 2.480e-03 -2.606
|
||||
SurfHAsO4- 4.303e-06 0.000 4.303e-06 -5.366
|
||||
SurfH2AsO4 3.877e-08 0.000 3.877e-08 -7.412
|
||||
|
||||
-----------------------------Exchange composition------------------------------
|
||||
|
||||
@ -930,102 +930,102 @@ X 1.000e+00 mol
|
||||
Equiv- Equivalent Log
|
||||
Species Moles alents Fraction Gamma
|
||||
|
||||
CaX2 3.393e-01 6.786e-01 6.786e-01 -0.171
|
||||
MgX2 1.602e-01 3.204e-01 3.204e-01 -0.169
|
||||
NaX 9.469e-04 9.469e-04 9.469e-04 -0.044
|
||||
CaX2 3.393e-01 6.785e-01 6.785e-01 -0.171
|
||||
MgX2 1.603e-01 3.205e-01 3.205e-01 -0.169
|
||||
NaX 9.563e-04 9.563e-04 9.563e-04 -0.044
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
As 4.412e-10 4.412e-10
|
||||
C 7.179e-03 7.179e-03
|
||||
Ca 1.882e-03 1.881e-03
|
||||
As 3.556e-10 3.555e-10
|
||||
C 7.169e-03 7.169e-03
|
||||
Ca 1.879e-03 1.879e-03
|
||||
Cl 1.337e-04 1.337e-04
|
||||
Mg 1.408e-03 1.408e-03
|
||||
Mg 1.407e-03 1.406e-03
|
||||
Na 1.227e-04 1.227e-04
|
||||
S 2.351e-04 2.351e-04
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.042 Charge balance
|
||||
pe = 13.581 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 589
|
||||
pe = 13.580 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 588
|
||||
Density (g/cm3) = 0.99748
|
||||
Volume (L) = 1.00341
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 9.695e-03
|
||||
Ionic strength = 9.686e-03
|
||||
Mass of water (kg) = 9.999e-01
|
||||
Total alkalinity (eq/kg) = 6.097e-03
|
||||
Total CO2 (mol/kg) = 7.179e-03
|
||||
Total alkalinity (eq/kg) = 6.090e-03
|
||||
Total CO2 (mol/kg) = 7.169e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 6.579e-09
|
||||
Electrical balance (eq) = 6.869e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
|
||||
Iterations = 13
|
||||
Total H = 1.110125e+02
|
||||
Total O = 5.552509e+01
|
||||
Total O = 5.552506e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 1.235e-07 1.114e-07 -6.908 -6.953 -0.045 -4.03
|
||||
H+ 9.940e-08 9.088e-08 -7.003 -7.042 -0.039 0.00
|
||||
OH- 1.238e-07 1.115e-07 -6.907 -6.953 -0.045 -4.03
|
||||
H+ 9.922e-08 9.072e-08 -7.003 -7.042 -0.039 0.00
|
||||
H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07
|
||||
As 4.412e-10
|
||||
HAsO4-2 2.739e-10 1.823e-10 -9.562 -9.739 -0.177 (0)
|
||||
H2AsO4- 1.673e-10 1.511e-10 -9.777 -9.821 -0.044 (0)
|
||||
AsO4-3 1.586e-14 6.342e-15 -13.800 -14.198 -0.398 (0)
|
||||
H3AsO4 2.380e-15 2.386e-15 -14.623 -14.622 0.001 (0)
|
||||
As 3.556e-10
|
||||
HAsO4-2 2.209e-10 1.470e-10 -9.656 -9.833 -0.177 (0)
|
||||
H2AsO4- 1.347e-10 1.216e-10 -9.871 -9.915 -0.044 (0)
|
||||
AsO4-3 1.281e-14 5.124e-15 -13.892 -14.290 -0.398 (0)
|
||||
H3AsO4 1.913e-15 1.917e-15 -14.718 -14.717 0.001 (0)
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -143.548 -143.547 0.001 32.22
|
||||
C(4) 7.179e-03
|
||||
HCO3- 5.920e-03 5.365e-03 -2.228 -2.270 -0.043 24.69
|
||||
CO2 1.094e-03 1.096e-03 -2.961 -2.960 0.001 30.26
|
||||
CaHCO3+ 8.949e-05 8.123e-05 -4.048 -4.090 -0.042 9.72
|
||||
MgHCO3+ 6.214e-05 5.610e-05 -4.207 -4.251 -0.044 5.53
|
||||
CaCO3 5.507e-06 5.519e-06 -5.259 -5.258 0.001 -14.60
|
||||
CO3-2 4.104e-06 2.769e-06 -5.387 -5.558 -0.171 -4.11
|
||||
MgCO3 2.355e-06 2.361e-06 -5.628 -5.627 0.001 -17.09
|
||||
NaHCO3 1.473e-06 1.477e-06 -5.832 -5.831 0.001 19.41
|
||||
NaCO3- 1.495e-09 1.355e-09 -8.825 -8.868 -0.043 -0.58
|
||||
Ca 1.882e-03
|
||||
Ca+2 1.761e-03 1.187e-03 -2.754 -2.926 -0.171 -17.93
|
||||
CaHCO3+ 8.949e-05 8.123e-05 -4.048 -4.090 -0.042 9.72
|
||||
CaSO4 2.591e-05 2.597e-05 -4.587 -4.586 0.001 7.50
|
||||
CaCO3 5.507e-06 5.519e-06 -5.259 -5.258 0.001 -14.60
|
||||
CaOH+ 2.399e-09 2.167e-09 -8.620 -8.664 -0.044 (0)
|
||||
CaHSO4+ 1.717e-11 1.551e-11 -10.765 -10.809 -0.044 (0)
|
||||
CH4 0.000e+00 0.000e+00 -143.549 -143.548 0.001 32.22
|
||||
C(4) 7.169e-03
|
||||
HCO3- 5.915e-03 5.360e-03 -2.228 -2.271 -0.043 24.80
|
||||
CO2 1.091e-03 1.094e-03 -2.962 -2.961 0.001 29.09
|
||||
CaHCO3+ 8.931e-05 8.107e-05 -4.049 -4.091 -0.042 9.72
|
||||
MgHCO3+ 6.204e-05 5.601e-05 -4.207 -4.252 -0.044 5.53
|
||||
CaCO3 5.506e-06 5.518e-06 -5.259 -5.258 0.001 -14.60
|
||||
CO3-2 4.107e-06 2.771e-06 -5.386 -5.557 -0.171 -5.25
|
||||
MgCO3 2.356e-06 2.361e-06 -5.628 -5.627 0.001 -17.09
|
||||
NaHCO3 3.327e-07 3.334e-07 -6.478 -6.477 0.001 2.13
|
||||
NaCO3- 6.319e-09 5.707e-09 -8.199 -8.244 -0.044 -0.51
|
||||
Ca 1.879e-03
|
||||
Ca+2 1.758e-03 1.185e-03 -2.755 -2.926 -0.171 -17.93
|
||||
CaHCO3+ 8.931e-05 8.107e-05 -4.049 -4.091 -0.042 9.72
|
||||
CaSO4 2.589e-05 2.594e-05 -4.587 -4.586 0.001 7.50
|
||||
CaCO3 5.506e-06 5.518e-06 -5.259 -5.258 0.001 -14.60
|
||||
CaOH+ 2.401e-09 2.168e-09 -8.620 -8.664 -0.044 (0)
|
||||
CaHSO4+ 1.713e-11 1.547e-11 -10.766 -10.810 -0.044 (0)
|
||||
Cl 1.337e-04
|
||||
Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14
|
||||
H(0) 0.000e+00
|
||||
H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61
|
||||
Mg 1.408e-03
|
||||
Mg+2 1.317e-03 8.936e-04 -2.880 -3.049 -0.169 -21.62
|
||||
MgHCO3+ 6.214e-05 5.610e-05 -4.207 -4.251 -0.044 5.53
|
||||
MgSO4 2.572e-05 2.577e-05 -4.590 -4.589 0.001 5.84
|
||||
MgCO3 2.355e-06 2.361e-06 -5.628 -5.627 0.001 -17.09
|
||||
MgOH+ 3.927e-08 3.569e-08 -7.406 -7.447 -0.041 (0)
|
||||
Mg 1.407e-03
|
||||
Mg+2 1.316e-03 8.930e-04 -2.881 -3.049 -0.169 -21.62
|
||||
MgHCO3+ 6.204e-05 5.601e-05 -4.207 -4.252 -0.044 5.53
|
||||
MgSO4 2.571e-05 2.576e-05 -4.590 -4.589 0.001 5.84
|
||||
MgCO3 2.356e-06 2.361e-06 -5.628 -5.627 0.001 -17.09
|
||||
MgOH+ 3.931e-08 3.573e-08 -7.405 -7.447 -0.041 (0)
|
||||
Na 1.227e-04
|
||||
Na+ 1.211e-04 1.096e-04 -3.917 -3.960 -0.044 -1.32
|
||||
NaHCO3 1.473e-06 1.477e-06 -5.832 -5.831 0.001 19.41
|
||||
NaSO4- 7.456e-08 6.757e-08 -7.127 -7.170 -0.043 18.60
|
||||
NaCO3- 1.495e-09 1.355e-09 -8.825 -8.868 -0.043 -0.58
|
||||
NaOH 1.217e-21 1.220e-21 -20.915 -20.914 0.001 (0)
|
||||
Na+ 1.223e-04 1.106e-04 -3.913 -3.956 -0.044 -1.32
|
||||
NaHCO3 3.327e-07 3.334e-07 -6.478 -6.477 0.001 2.13
|
||||
NaSO4- 7.528e-08 6.823e-08 -7.123 -7.166 -0.043 18.60
|
||||
NaCO3- 6.319e-09 5.707e-09 -8.199 -8.244 -0.044 -0.51
|
||||
NaOH 1.231e-21 1.234e-21 -20.910 -20.909 0.001 (0)
|
||||
O(0) 5.111e-04
|
||||
O2 2.556e-04 2.561e-04 -3.593 -3.592 0.001 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -142.233 -142.278 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.379 -142.378 0.001 37.16
|
||||
HS- 0.000e+00 0.000e+00 -142.234 -142.279 -0.045 20.67
|
||||
H2S 0.000e+00 0.000e+00 -142.381 -142.380 0.001 37.16
|
||||
S-2 0.000e+00 0.000e+00 -147.982 -148.155 -0.173 (0)
|
||||
S(6) 2.351e-04
|
||||
SO4-2 1.834e-04 1.230e-04 -3.737 -3.910 -0.173 14.26
|
||||
CaSO4 2.591e-05 2.597e-05 -4.587 -4.586 0.001 7.50
|
||||
MgSO4 2.572e-05 2.577e-05 -4.590 -4.589 0.001 5.84
|
||||
NaSO4- 7.456e-08 6.757e-08 -7.127 -7.170 -0.043 18.60
|
||||
HSO4- 1.204e-09 1.087e-09 -8.919 -8.964 -0.044 40.34
|
||||
CaHSO4+ 1.717e-11 1.551e-11 -10.765 -10.809 -0.044 (0)
|
||||
SO4-2 1.834e-04 1.231e-04 -3.737 -3.910 -0.173 14.26
|
||||
CaSO4 2.589e-05 2.594e-05 -4.587 -4.586 0.001 7.50
|
||||
MgSO4 2.571e-05 2.576e-05 -4.590 -4.589 0.001 5.84
|
||||
NaSO4- 7.528e-08 6.823e-08 -7.123 -7.166 -0.043 18.60
|
||||
HSO4- 1.202e-09 1.086e-09 -8.920 -8.964 -0.044 40.34
|
||||
CaHSO4+ 1.713e-11 1.547e-11 -10.766 -10.810 -0.044 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -1034,16 +1034,16 @@ S(6) 2.351e-04
|
||||
Anhydrite -2.56 -6.84 -4.28 CaSO4
|
||||
Aragonite -0.15 -8.48 -8.34 CaCO3
|
||||
Calcite -0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -140.70 -143.55 -2.84 CH4
|
||||
CH4(g) -140.71 -143.55 -2.84 CH4
|
||||
CO2(g) -1.50 -2.96 -1.46 CO2
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -2.25 -6.84 -4.58 CaSO4:2H2O
|
||||
Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.29 -44.39 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
H2S(g) -141.33 -149.32 -7.99 H2S
|
||||
Halite -9.45 -7.88 1.57 NaCl
|
||||
Halite -9.44 -7.87 1.57 NaCl
|
||||
O2(g) -0.70 -3.59 -2.89 O2
|
||||
Sulfur -106.02 -101.13 4.88 S
|
||||
Sulfur -106.02 -101.14 4.88 S
|
||||
|
||||
|
||||
------------------
|
||||
@ -1055,6 +1055,6 @@ Reading input data for simulation 6.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.26 Seconds.
|
||||
End of Run after 0.25 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
402
ex14.sel
402
ex14.sel
@ -1,202 +1,202 @@
|
||||
step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs
|
||||
1 4.6453e-01 1.6192e-01 5.4020e+00 2.5000e-02 5.9357e+00 0.0000e+00
|
||||
1 3.0943e-04 2.2001e-04 9.3424e-02 2.2422e-03 7.2906e+00 2.7655e+00
|
||||
2 2.6159e-05 1.7418e-05 2.2725e-02 2.8286e-01 8.7231e+00 2.7652e+00
|
||||
3 1.4677e-05 9.0598e-06 1.4460e-02 1.6324e+00 9.1924e+00 2.7636e+00
|
||||
4 1.2943e-05 7.7962e-06 1.2497e-02 2.6548e+00 9.3254e+00 2.7610e+00
|
||||
5 1.2579e-05 7.5316e-06 1.1727e-02 3.0534e+00 9.3635e+00 2.7579e+00
|
||||
6 1.2623e-05 7.5661e-06 1.1340e-02 3.0976e+00 9.3667e+00 2.7548e+00
|
||||
7 1.2835e-05 7.7226e-06 1.1107e-02 2.9842e+00 9.3555e+00 2.7518e+00
|
||||
8 1.3126e-05 7.9378e-06 1.0942e-02 2.8118e+00 9.3383e+00 2.7490e+00
|
||||
9 1.3462e-05 8.1851e-06 1.0812e-02 2.6241e+00 9.3186e+00 2.7464e+00
|
||||
10 1.3825e-05 8.4530e-06 1.0700e-02 2.4390e+00 9.2980e+00 2.7439e+00
|
||||
11 1.4210e-05 8.7365e-06 1.0599e-02 2.2634e+00 9.2770e+00 2.7417e+00
|
||||
12 1.4613e-05 9.0335e-06 1.0505e-02 2.0993e+00 9.2560e+00 2.7396e+00
|
||||
13 1.5033e-05 9.3435e-06 1.0417e-02 1.9469e+00 9.2351e+00 2.7376e+00
|
||||
14 1.5472e-05 9.6667e-06 1.0334e-02 1.8055e+00 9.2144e+00 2.7358e+00
|
||||
15 1.5929e-05 1.0004e-05 1.0256e-02 1.6745e+00 9.1938e+00 2.7342e+00
|
||||
16 1.6406e-05 1.0355e-05 1.0181e-02 1.5530e+00 9.1732e+00 2.7326e+00
|
||||
17 1.6904e-05 1.0722e-05 1.0109e-02 1.4402e+00 9.1528e+00 2.7312e+00
|
||||
18 1.7424e-05 1.1106e-05 1.0041e-02 1.3355e+00 9.1325e+00 2.7298e+00
|
||||
19 1.7968e-05 1.1506e-05 9.9757e-03 1.2382e+00 9.1122e+00 2.7286e+00
|
||||
20 1.8537e-05 1.1926e-05 9.9132e-03 1.1478e+00 9.0919e+00 2.7274e+00
|
||||
21 1.9133e-05 1.2365e-05 9.8533e-03 1.0637e+00 9.0716e+00 2.7264e+00
|
||||
22 1.9757e-05 1.2825e-05 9.7958e-03 9.8549e-01 9.0514e+00 2.7254e+00
|
||||
23 2.0412e-05 1.3308e-05 9.7405e-03 9.1268e-01 9.0311e+00 2.7245e+00
|
||||
24 2.1099e-05 1.3814e-05 9.6874e-03 8.4492e-01 9.0109e+00 2.7236e+00
|
||||
25 2.1821e-05 1.4346e-05 9.6361e-03 7.8183e-01 8.9905e+00 2.7229e+00
|
||||
26 2.2579e-05 1.4906e-05 9.5867e-03 7.2311e-01 8.9702e+00 2.7221e+00
|
||||
27 2.3378e-05 1.5494e-05 9.5390e-03 6.6843e-01 8.9497e+00 2.7215e+00
|
||||
28 2.4218e-05 1.6113e-05 9.4929e-03 6.1754e-01 8.9292e+00 2.7208e+00
|
||||
29 2.5103e-05 1.6766e-05 9.4483e-03 5.7018e-01 8.9086e+00 2.7203e+00
|
||||
30 2.6037e-05 1.7454e-05 9.4051e-03 5.2610e-01 8.8878e+00 2.7198e+00
|
||||
31 2.7022e-05 1.8181e-05 9.3631e-03 4.8509e-01 8.8670e+00 2.7193e+00
|
||||
32 2.8063e-05 1.8948e-05 9.3223e-03 4.4696e-01 8.8460e+00 2.7188e+00
|
||||
33 2.9163e-05 1.9759e-05 9.2827e-03 4.1150e-01 8.8249e+00 2.7184e+00
|
||||
34 3.0327e-05 2.0617e-05 9.2440e-03 3.7856e-01 8.8037e+00 2.7180e+00
|
||||
35 3.1559e-05 2.1525e-05 9.2063e-03 3.4795e-01 8.7823e+00 2.7177e+00
|
||||
36 3.2865e-05 2.2488e-05 9.1694e-03 3.1954e-01 8.7607e+00 2.7174e+00
|
||||
37 3.4249e-05 2.3508e-05 9.1333e-03 2.9318e-01 8.7389e+00 2.7171e+00
|
||||
38 3.5719e-05 2.4592e-05 9.0978e-03 2.6874e-01 8.7170e+00 2.7168e+00
|
||||
39 3.7281e-05 2.5744e-05 9.0629e-03 2.4608e-01 8.6948e+00 2.7166e+00
|
||||
40 3.8942e-05 2.6968e-05 9.0286e-03 2.2511e-01 8.6725e+00 2.7163e+00
|
||||
41 4.0710e-05 2.8271e-05 8.9947e-03 2.0570e-01 8.6499e+00 2.7161e+00
|
||||
42 4.2594e-05 2.9660e-05 8.9611e-03 1.8776e-01 8.6271e+00 2.7159e+00
|
||||
43 4.4602e-05 3.1141e-05 8.9277e-03 1.7119e-01 8.6040e+00 2.7158e+00
|
||||
44 4.6746e-05 3.2721e-05 8.8945e-03 1.5589e-01 8.5807e+00 2.7156e+00
|
||||
45 4.9037e-05 3.4410e-05 8.8614e-03 1.4179e-01 8.5571e+00 2.7155e+00
|
||||
46 5.1488e-05 3.6217e-05 8.8282e-03 1.2880e-01 8.5333e+00 2.7153e+00
|
||||
47 5.4112e-05 3.8151e-05 8.7948e-03 1.1685e-01 8.5091e+00 2.7152e+00
|
||||
48 5.6924e-05 4.0224e-05 8.7612e-03 1.0587e-01 8.4847e+00 2.7151e+00
|
||||
49 5.9940e-05 4.2448e-05 8.7273e-03 9.5794e-02 8.4600e+00 2.7150e+00
|
||||
50 6.3181e-05 4.4837e-05 8.6928e-03 8.6555e-02 8.4349e+00 2.7149e+00
|
||||
51 6.6665e-05 4.7406e-05 8.6577e-03 7.8095e-02 8.4095e+00 2.7149e+00
|
||||
52 7.0414e-05 5.0170e-05 8.6218e-03 7.0361e-02 8.3838e+00 2.7148e+00
|
||||
53 7.4455e-05 5.3149e-05 8.5850e-03 6.3299e-02 8.3578e+00 2.7147e+00
|
||||
54 7.8813e-05 5.6363e-05 8.5471e-03 5.6860e-02 8.3314e+00 2.7147e+00
|
||||
55 8.3520e-05 5.9832e-05 8.5078e-03 5.1000e-02 8.3046e+00 2.7146e+00
|
||||
56 8.8607e-05 6.3583e-05 8.4672e-03 4.5673e-02 8.2775e+00 2.7146e+00
|
||||
57 9.4113e-05 6.7643e-05 8.4248e-03 4.0840e-02 8.2499e+00 2.7145e+00
|
||||
58 1.0008e-04 7.2040e-05 8.3805e-03 3.6462e-02 8.2221e+00 2.7145e+00
|
||||
59 1.0655e-04 7.6810e-05 8.3341e-03 3.2503e-02 8.1938e+00 2.7145e+00
|
||||
60 1.1357e-04 8.1987e-05 8.2852e-03 2.8929e-02 8.1651e+00 2.7144e+00
|
||||
61 1.2120e-04 8.7613e-05 8.2336e-03 2.5710e-02 8.1361e+00 2.7144e+00
|
||||
62 1.2950e-04 9.3732e-05 8.1789e-03 2.2816e-02 8.1066e+00 2.7144e+00
|
||||
63 1.3853e-04 1.0039e-04 8.1209e-03 2.0218e-02 8.0768e+00 2.7144e+00
|
||||
64 1.4837e-04 1.0765e-04 8.0591e-03 1.7892e-02 8.0466e+00 2.7143e+00
|
||||
65 1.5910e-04 1.1556e-04 7.9932e-03 1.5813e-02 8.0161e+00 2.7143e+00
|
||||
66 1.7081e-04 1.2419e-04 7.9227e-03 1.3959e-02 7.9852e+00 2.7143e+00
|
||||
67 1.8358e-04 1.3361e-04 7.8471e-03 1.2309e-02 7.9539e+00 2.7143e+00
|
||||
68 1.9752e-04 1.4389e-04 7.7660e-03 1.0844e-02 7.9224e+00 2.7143e+00
|
||||
69 2.1274e-04 1.5511e-04 7.6790e-03 9.5458e-03 7.8906e+00 2.7143e+00
|
||||
70 2.2937e-04 1.6737e-04 7.5853e-03 8.3980e-03 7.8585e+00 2.7143e+00
|
||||
71 2.4751e-04 1.8075e-04 7.4846e-03 7.3854e-03 7.8262e+00 2.7143e+00
|
||||
72 2.6730e-04 1.9534e-04 7.3762e-03 6.4940e-03 7.7938e+00 2.7143e+00
|
||||
73 2.8887e-04 2.1125e-04 7.2597e-03 5.7109e-03 7.7612e+00 2.7143e+00
|
||||
74 3.1236e-04 2.2857e-04 7.1345e-03 5.0245e-03 7.7286e+00 2.7142e+00
|
||||
75 3.3789e-04 2.4740e-04 7.0000e-03 4.4239e-03 7.6961e+00 2.7142e+00
|
||||
76 3.6560e-04 2.6783e-04 6.8559e-03 3.8994e-03 7.6636e+00 2.7142e+00
|
||||
77 3.9559e-04 2.8995e-04 6.7018e-03 3.4422e-03 7.6313e+00 2.7142e+00
|
||||
78 4.2798e-04 3.1383e-04 6.5374e-03 3.0443e-03 7.5993e+00 2.7142e+00
|
||||
79 4.6283e-04 3.3953e-04 6.3625e-03 2.6986e-03 7.5677e+00 2.7142e+00
|
||||
80 5.0021e-04 3.6709e-04 6.1772e-03 2.3985e-03 7.5366e+00 2.7142e+00
|
||||
81 5.4012e-04 3.9652e-04 5.9816e-03 2.1385e-03 7.5060e+00 2.7142e+00
|
||||
82 5.8254e-04 4.2780e-04 5.7762e-03 1.9132e-03 7.4761e+00 2.7142e+00
|
||||
83 6.2739e-04 4.6087e-04 5.5614e-03 1.7183e-03 7.4470e+00 2.7142e+00
|
||||
84 6.7454e-04 4.9563e-04 5.3382e-03 1.5497e-03 7.4188e+00 2.7142e+00
|
||||
85 7.2358e-04 5.3221e-04 5.1073e-03 1.4038e-03 7.3915e+00 2.7142e+00
|
||||
86 7.7382e-04 5.7087e-04 4.8697e-03 1.2774e-03 7.3652e+00 2.7142e+00
|
||||
87 8.2560e-04 6.1078e-04 4.6276e-03 1.1682e-03 7.3400e+00 2.7142e+00
|
||||
88 8.7856e-04 6.5165e-04 4.3825e-03 1.0737e-03 7.3161e+00 2.7142e+00
|
||||
89 9.3234e-04 6.9319e-04 4.1359e-03 9.9206e-04 7.2933e+00 2.7142e+00
|
||||
90 9.8651e-04 7.3509e-04 3.8897e-03 9.2141e-04 7.2719e+00 2.7142e+00
|
||||
91 1.0407e-03 7.7702e-04 3.6457e-03 8.6024e-04 7.2518e+00 2.7142e+00
|
||||
92 1.0944e-03 8.1866e-04 3.4056e-03 8.0723e-04 7.2329e+00 2.7142e+00
|
||||
93 1.1474e-03 8.5969e-04 3.1709e-03 7.6124e-04 7.2154e+00 2.7142e+00
|
||||
94 1.1991e-03 8.9982e-04 2.9433e-03 7.2129e-04 7.1991e+00 2.7142e+00
|
||||
95 1.2493e-03 9.3877e-04 2.7240e-03 6.8656e-04 7.1841e+00 2.7142e+00
|
||||
96 1.2977e-03 9.7631e-04 2.5141e-03 6.5633e-04 7.1702e+00 2.7142e+00
|
||||
97 1.3440e-03 1.0122e-03 2.3144e-03 6.2998e-04 7.1575e+00 2.7142e+00
|
||||
98 1.3880e-03 1.0464e-03 2.1255e-03 6.0699e-04 7.1459e+00 2.7142e+00
|
||||
99 1.4296e-03 1.0787e-03 1.9480e-03 5.8690e-04 7.1353e+00 2.7142e+00
|
||||
100 1.4687e-03 1.1091e-03 1.7820e-03 5.6934e-04 7.1256e+00 2.7142e+00
|
||||
101 1.5053e-03 1.1374e-03 1.6275e-03 5.5397e-04 7.1169e+00 2.7142e+00
|
||||
102 1.5393e-03 1.1638e-03 1.4844e-03 5.4049e-04 7.1089e+00 2.7142e+00
|
||||
103 1.5708e-03 1.1882e-03 1.3524e-03 5.2867e-04 7.1018e+00 2.7142e+00
|
||||
104 1.5998e-03 1.2106e-03 1.2311e-03 5.1829e-04 7.0953e+00 2.7142e+00
|
||||
105 1.6265e-03 1.2313e-03 1.1201e-03 5.0918e-04 7.0895e+00 2.7142e+00
|
||||
106 1.6509e-03 1.2501e-03 1.0188e-03 5.0116e-04 7.0843e+00 2.7142e+00
|
||||
107 1.6732e-03 1.2673e-03 9.2670e-04 4.9410e-04 7.0796e+00 2.7142e+00
|
||||
108 1.6935e-03 1.2829e-03 8.4311e-04 4.8789e-04 7.0754e+00 2.7142e+00
|
||||
109 1.7119e-03 1.2970e-03 7.6746e-04 4.8241e-04 7.0717e+00 2.7142e+00
|
||||
110 1.7286e-03 1.3098e-03 6.9914e-04 4.7758e-04 7.0683e+00 2.7142e+00
|
||||
111 1.7436e-03 1.3213e-03 6.3758e-04 4.7332e-04 7.0653e+00 2.7142e+00
|
||||
112 1.7572e-03 1.3316e-03 5.8220e-04 4.6957e-04 7.0627e+00 2.7142e+00
|
||||
113 1.7694e-03 1.3409e-03 5.3246e-04 4.6625e-04 7.0603e+00 2.7142e+00
|
||||
114 1.7805e-03 1.3492e-03 4.8786e-04 4.6332e-04 7.0582e+00 2.7142e+00
|
||||
115 1.7903e-03 1.3567e-03 4.4791e-04 4.6073e-04 7.0563e+00 2.7142e+00
|
||||
116 1.7992e-03 1.3633e-03 4.1217e-04 4.5845e-04 7.0546e+00 2.7142e+00
|
||||
117 1.8072e-03 1.3693e-03 3.8023e-04 4.5642e-04 7.0531e+00 2.7142e+00
|
||||
118 1.8143e-03 1.3745e-03 3.5172e-04 4.5464e-04 7.0518e+00 2.7142e+00
|
||||
119 1.8207e-03 1.3792e-03 3.2628e-04 4.5306e-04 7.0506e+00 2.7142e+00
|
||||
120 1.8264e-03 1.3834e-03 3.0360e-04 4.5166e-04 7.0495e+00 2.7142e+00
|
||||
121 1.8315e-03 1.3871e-03 2.8340e-04 4.5042e-04 7.0486e+00 2.7142e+00
|
||||
122 1.8360e-03 1.3904e-03 2.6542e-04 4.4933e-04 7.0478e+00 2.7142e+00
|
||||
123 1.8401e-03 1.3933e-03 2.4942e-04 4.4836e-04 7.0471e+00 2.7142e+00
|
||||
124 1.8438e-03 1.3958e-03 2.3518e-04 4.4751e-04 7.0464e+00 2.7142e+00
|
||||
125 1.8470e-03 1.3981e-03 2.2253e-04 4.4675e-04 7.0458e+00 2.7142e+00
|
||||
126 1.8500e-03 1.4001e-03 2.1128e-04 4.4608e-04 7.0453e+00 2.7142e+00
|
||||
127 1.8526e-03 1.4018e-03 2.0129e-04 4.4549e-04 7.0449e+00 2.7142e+00
|
||||
128 1.8549e-03 1.4034e-03 1.9242e-04 4.4497e-04 7.0445e+00 2.7142e+00
|
||||
129 1.8570e-03 1.4047e-03 1.8454e-04 4.4450e-04 7.0441e+00 2.7142e+00
|
||||
130 1.8589e-03 1.4059e-03 1.7754e-04 4.4410e-04 7.0438e+00 2.7142e+00
|
||||
131 1.8606e-03 1.4069e-03 1.7133e-04 4.4373e-04 7.0435e+00 2.7142e+00
|
||||
132 1.8621e-03 1.4078e-03 1.6582e-04 4.4341e-04 7.0433e+00 2.7142e+00
|
||||
133 1.8635e-03 1.4086e-03 1.6093e-04 4.4313e-04 7.0430e+00 2.7142e+00
|
||||
134 1.8647e-03 1.4093e-03 1.5660e-04 4.4288e-04 7.0429e+00 2.7142e+00
|
||||
135 1.8658e-03 1.4099e-03 1.5275e-04 4.4266e-04 7.0427e+00 2.7142e+00
|
||||
136 1.8668e-03 1.4104e-03 1.4934e-04 4.4246e-04 7.0425e+00 2.7142e+00
|
||||
137 1.8677e-03 1.4108e-03 1.4631e-04 4.4229e-04 7.0424e+00 2.7142e+00
|
||||
138 1.8685e-03 1.4112e-03 1.4363e-04 4.4214e-04 7.0423e+00 2.7142e+00
|
||||
139 1.8692e-03 1.4115e-03 1.4125e-04 4.4201e-04 7.0422e+00 2.7142e+00
|
||||
140 1.8699e-03 1.4117e-03 1.3914e-04 4.4189e-04 7.0421e+00 2.7142e+00
|
||||
141 1.8705e-03 1.4119e-03 1.3727e-04 4.4178e-04 7.0420e+00 2.7142e+00
|
||||
142 1.8711e-03 1.4121e-03 1.3561e-04 4.4169e-04 7.0419e+00 2.7142e+00
|
||||
143 1.8716e-03 1.4122e-03 1.3414e-04 4.4161e-04 7.0419e+00 2.7142e+00
|
||||
144 1.8721e-03 1.4123e-03 1.3284e-04 4.4154e-04 7.0418e+00 2.7142e+00
|
||||
145 1.8725e-03 1.4124e-03 1.3168e-04 4.4148e-04 7.0418e+00 2.7142e+00
|
||||
146 1.8729e-03 1.4125e-03 1.3066e-04 4.4142e-04 7.0417e+00 2.7142e+00
|
||||
147 1.8733e-03 1.4125e-03 1.2975e-04 4.4138e-04 7.0417e+00 2.7142e+00
|
||||
148 1.8736e-03 1.4125e-03 1.2895e-04 4.4133e-04 7.0416e+00 2.7142e+00
|
||||
149 1.8740e-03 1.4125e-03 1.2824e-04 4.4130e-04 7.0416e+00 2.7142e+00
|
||||
150 1.8743e-03 1.4125e-03 1.2760e-04 4.4127e-04 7.0416e+00 2.7142e+00
|
||||
151 1.8745e-03 1.4125e-03 1.2704e-04 4.4124e-04 7.0416e+00 2.7142e+00
|
||||
152 1.8748e-03 1.4124e-03 1.2655e-04 4.4121e-04 7.0416e+00 2.7142e+00
|
||||
153 1.8751e-03 1.4124e-03 1.2611e-04 4.4119e-04 7.0415e+00 2.7142e+00
|
||||
154 1.8753e-03 1.4123e-03 1.2572e-04 4.4118e-04 7.0415e+00 2.7142e+00
|
||||
155 1.8755e-03 1.4123e-03 1.2537e-04 4.4116e-04 7.0415e+00 2.7142e+00
|
||||
156 1.8757e-03 1.4122e-03 1.2507e-04 4.4115e-04 7.0415e+00 2.7142e+00
|
||||
157 1.8759e-03 1.4121e-03 1.2480e-04 4.4114e-04 7.0415e+00 2.7142e+00
|
||||
158 1.8761e-03 1.4120e-03 1.2456e-04 4.4113e-04 7.0415e+00 2.7142e+00
|
||||
159 1.8763e-03 1.4119e-03 1.2434e-04 4.4112e-04 7.0415e+00 2.7142e+00
|
||||
160 1.8765e-03 1.4118e-03 1.2415e-04 4.4111e-04 7.0415e+00 2.7142e+00
|
||||
161 1.8767e-03 1.4117e-03 1.2399e-04 4.4111e-04 7.0415e+00 2.7142e+00
|
||||
162 1.8768e-03 1.4116e-03 1.2384e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
163 1.8770e-03 1.4115e-03 1.2371e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
164 1.8772e-03 1.4114e-03 1.2359e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
165 1.8773e-03 1.4113e-03 1.2349e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
166 1.8775e-03 1.4112e-03 1.2340e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
167 1.8776e-03 1.4111e-03 1.2331e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
168 1.8778e-03 1.4110e-03 1.2324e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
169 1.8779e-03 1.4109e-03 1.2318e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
170 1.8781e-03 1.4108e-03 1.2312e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
171 1.8782e-03 1.4107e-03 1.2307e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
172 1.8783e-03 1.4106e-03 1.2303e-04 4.4110e-04 7.0415e+00 2.7142e+00
|
||||
173 1.8785e-03 1.4105e-03 1.2299e-04 4.4111e-04 7.0415e+00 2.7142e+00
|
||||
174 1.8786e-03 1.4104e-03 1.2295e-04 4.4111e-04 7.0415e+00 2.7142e+00
|
||||
175 1.8787e-03 1.4102e-03 1.2292e-04 4.4111e-04 7.0415e+00 2.7142e+00
|
||||
176 1.8788e-03 1.4101e-03 1.2290e-04 4.4111e-04 7.0415e+00 2.7142e+00
|
||||
177 1.8790e-03 1.4100e-03 1.2287e-04 4.4112e-04 7.0415e+00 2.7142e+00
|
||||
178 1.8791e-03 1.4099e-03 1.2285e-04 4.4112e-04 7.0415e+00 2.7142e+00
|
||||
179 1.8792e-03 1.4098e-03 1.2283e-04 4.4112e-04 7.0415e+00 2.7142e+00
|
||||
180 1.8793e-03 1.4097e-03 1.2281e-04 4.4113e-04 7.0415e+00 2.7142e+00
|
||||
181 1.8795e-03 1.4096e-03 1.2280e-04 4.4113e-04 7.0415e+00 2.7142e+00
|
||||
182 1.8796e-03 1.4095e-03 1.2279e-04 4.4113e-04 7.0415e+00 2.7142e+00
|
||||
183 1.8797e-03 1.4094e-03 1.2277e-04 4.4114e-04 7.0415e+00 2.7142e+00
|
||||
184 1.8798e-03 1.4093e-03 1.2276e-04 4.4114e-04 7.0415e+00 2.7142e+00
|
||||
185 1.8799e-03 1.4092e-03 1.2275e-04 4.4114e-04 7.0415e+00 2.7142e+00
|
||||
186 1.8800e-03 1.4091e-03 1.2275e-04 4.4115e-04 7.0415e+00 2.7142e+00
|
||||
187 1.8801e-03 1.4090e-03 1.2274e-04 4.4115e-04 7.0415e+00 2.7142e+00
|
||||
188 1.8803e-03 1.4089e-03 1.2273e-04 4.4115e-04 7.0415e+00 2.7142e+00
|
||||
189 1.8804e-03 1.4088e-03 1.2273e-04 4.4116e-04 7.0415e+00 2.7142e+00
|
||||
190 1.8805e-03 1.4087e-03 1.2272e-04 4.4116e-04 7.0415e+00 2.7142e+00
|
||||
191 1.8806e-03 1.4086e-03 1.2272e-04 4.4116e-04 7.0415e+00 2.7142e+00
|
||||
192 1.8807e-03 1.4085e-03 1.2271e-04 4.4117e-04 7.0415e+00 2.7142e+00
|
||||
193 1.8808e-03 1.4084e-03 1.2271e-04 4.4117e-04 7.0415e+00 2.7142e+00
|
||||
194 1.8809e-03 1.4083e-03 1.2271e-04 4.4118e-04 7.0415e+00 2.7142e+00
|
||||
195 1.8810e-03 1.4082e-03 1.2270e-04 4.4118e-04 7.0415e+00 2.7142e+00
|
||||
196 1.8811e-03 1.4081e-03 1.2270e-04 4.4118e-04 7.0415e+00 2.7142e+00
|
||||
197 1.8812e-03 1.4080e-03 1.2270e-04 4.4119e-04 7.0415e+00 2.7142e+00
|
||||
198 1.8813e-03 1.4079e-03 1.2270e-04 4.4119e-04 7.0415e+00 2.7142e+00
|
||||
199 1.8814e-03 1.4078e-03 1.2270e-04 4.4119e-04 7.0415e+00 2.7142e+00
|
||||
200 1.8815e-03 1.4077e-03 1.2269e-04 4.4120e-04 7.0415e+00 2.7142e+00
|
||||
1 4.6445e-01 1.6199e-01 5.4020e+00 2.5000e-02 5.8852e+00 0.0000e+00
|
||||
1 3.4368e-04 2.4423e-04 9.3356e-02 1.5347e-03 7.2237e+00 2.5220e+00
|
||||
2 2.8497e-05 1.9115e-05 2.3488e-02 1.7854e-01 8.6602e+00 2.5218e+00
|
||||
3 1.5189e-05 9.4336e-06 1.4710e-02 1.1655e+00 9.1602e+00 2.5207e+00
|
||||
4 1.3263e-05 8.0297e-06 1.2675e-02 1.9565e+00 9.3007e+00 2.5187e+00
|
||||
5 1.2860e-05 7.7372e-06 1.1884e-02 2.2700e+00 9.3408e+00 2.5164e+00
|
||||
6 1.2902e-05 7.7697e-06 1.1485e-02 2.3080e+00 9.3445e+00 2.5141e+00
|
||||
7 1.3122e-05 7.9326e-06 1.1242e-02 2.2239e+00 9.3334e+00 2.5119e+00
|
||||
8 1.3426e-05 8.1574e-06 1.1069e-02 2.0946e+00 9.3162e+00 2.5098e+00
|
||||
9 1.3777e-05 8.4159e-06 1.0930e-02 1.9537e+00 9.2964e+00 2.5078e+00
|
||||
10 1.4156e-05 8.6956e-06 1.0810e-02 1.8149e+00 9.2757e+00 2.5060e+00
|
||||
11 1.4558e-05 8.9915e-06 1.0701e-02 1.6834e+00 9.2547e+00 2.5044e+00
|
||||
12 1.4978e-05 9.3014e-06 1.0601e-02 1.5607e+00 9.2338e+00 2.5028e+00
|
||||
13 1.5417e-05 9.6248e-06 1.0506e-02 1.4467e+00 9.2129e+00 2.5013e+00
|
||||
14 1.5875e-05 9.9619e-06 1.0417e-02 1.3411e+00 9.1921e+00 2.5000e+00
|
||||
15 1.6352e-05 1.0313e-05 1.0333e-02 1.2432e+00 9.1715e+00 2.4988e+00
|
||||
16 1.6849e-05 1.0680e-05 1.0252e-02 1.1525e+00 9.1510e+00 2.4976e+00
|
||||
17 1.7369e-05 1.1063e-05 1.0176e-02 1.0684e+00 9.1305e+00 2.4965e+00
|
||||
18 1.7911e-05 1.1463e-05 1.0103e-02 9.9035e-01 9.1102e+00 2.4955e+00
|
||||
19 1.8478e-05 1.1881e-05 1.0033e-02 9.1785e-01 9.0899e+00 2.4946e+00
|
||||
20 1.9072e-05 1.2318e-05 9.9668e-03 8.5049e-01 9.0696e+00 2.4938e+00
|
||||
21 1.9693e-05 1.2776e-05 9.9030e-03 7.8786e-01 9.0494e+00 2.4930e+00
|
||||
22 2.0345e-05 1.3256e-05 9.8418e-03 7.2962e-01 9.0291e+00 2.4923e+00
|
||||
23 2.1028e-05 1.3760e-05 9.7830e-03 6.7545e-01 9.0089e+00 2.4916e+00
|
||||
24 2.1745e-05 1.4288e-05 9.7265e-03 6.2505e-01 8.9886e+00 2.4910e+00
|
||||
25 2.2498e-05 1.4844e-05 9.6722e-03 5.7816e-01 8.9683e+00 2.4904e+00
|
||||
26 2.3290e-05 1.5427e-05 9.6197e-03 5.3452e-01 8.9479e+00 2.4899e+00
|
||||
27 2.4123e-05 1.6041e-05 9.5692e-03 4.9392e-01 8.9274e+00 2.4894e+00
|
||||
28 2.5001e-05 1.6688e-05 9.5203e-03 4.5614e-01 8.9069e+00 2.4889e+00
|
||||
29 2.5925e-05 1.7369e-05 9.4731e-03 4.2099e-01 8.8863e+00 2.4885e+00
|
||||
30 2.6900e-05 1.8088e-05 9.4273e-03 3.8830e-01 8.8655e+00 2.4881e+00
|
||||
31 2.7928e-05 1.8846e-05 9.3830e-03 3.5790e-01 8.8447e+00 2.4877e+00
|
||||
32 2.9015e-05 1.9647e-05 9.3399e-03 3.2964e-01 8.8237e+00 2.4874e+00
|
||||
33 3.0163e-05 2.0493e-05 9.2980e-03 3.0338e-01 8.8026e+00 2.4871e+00
|
||||
34 3.1379e-05 2.1389e-05 9.2572e-03 2.7899e-01 8.7813e+00 2.4868e+00
|
||||
35 3.2665e-05 2.2338e-05 9.2173e-03 2.5635e-01 8.7599e+00 2.4866e+00
|
||||
36 3.4029e-05 2.3343e-05 9.1784e-03 2.3533e-01 8.7383e+00 2.4863e+00
|
||||
37 3.5475e-05 2.4409e-05 9.1403e-03 2.1585e-01 8.7166e+00 2.4861e+00
|
||||
38 3.7011e-05 2.5541e-05 9.1029e-03 1.9779e-01 8.6946e+00 2.4859e+00
|
||||
39 3.8642e-05 2.6743e-05 9.0662e-03 1.8106e-01 8.6725e+00 2.4857e+00
|
||||
40 4.0377e-05 2.8022e-05 9.0300e-03 1.6557e-01 8.6501e+00 2.4856e+00
|
||||
41 4.2224e-05 2.9383e-05 8.9943e-03 1.5126e-01 8.6275e+00 2.4854e+00
|
||||
42 4.4191e-05 3.0834e-05 8.9589e-03 1.3802e-01 8.6047e+00 2.4853e+00
|
||||
43 4.6289e-05 3.2380e-05 8.9238e-03 1.2581e-01 8.5817e+00 2.4852e+00
|
||||
44 4.8529e-05 3.4031e-05 8.8889e-03 1.1454e-01 8.5583e+00 2.4850e+00
|
||||
45 5.0922e-05 3.5795e-05 8.8540e-03 1.0416e-01 8.5348e+00 2.4849e+00
|
||||
46 5.3482e-05 3.7682e-05 8.8191e-03 9.4598e-02 8.5109e+00 2.4848e+00
|
||||
47 5.6222e-05 3.9702e-05 8.7841e-03 8.5807e-02 8.4868e+00 2.4848e+00
|
||||
48 5.9159e-05 4.1867e-05 8.7488e-03 7.7733e-02 8.4624e+00 2.4847e+00
|
||||
49 6.2310e-05 4.4190e-05 8.7131e-03 7.0325e-02 8.4377e+00 2.4846e+00
|
||||
50 6.5693e-05 4.6684e-05 8.6769e-03 6.3537e-02 8.4126e+00 2.4845e+00
|
||||
51 6.9330e-05 4.9365e-05 8.6400e-03 5.7325e-02 8.3873e+00 2.4845e+00
|
||||
52 7.3245e-05 5.2251e-05 8.6024e-03 5.1647e-02 8.3616e+00 2.4844e+00
|
||||
53 7.7462e-05 5.5360e-05 8.5637e-03 4.6465e-02 8.3356e+00 2.4844e+00
|
||||
54 8.2009e-05 5.8712e-05 8.5239e-03 4.1743e-02 8.3093e+00 2.4843e+00
|
||||
55 8.6919e-05 6.2332e-05 8.4828e-03 3.7446e-02 8.2826e+00 2.4843e+00
|
||||
56 9.2225e-05 6.6243e-05 8.4402e-03 3.3541e-02 8.2555e+00 2.4843e+00
|
||||
57 9.7965e-05 7.0475e-05 8.3958e-03 3.0000e-02 8.2281e+00 2.4842e+00
|
||||
58 1.0418e-04 7.5057e-05 8.3494e-03 2.6793e-02 8.2003e+00 2.4842e+00
|
||||
59 1.1092e-04 8.0024e-05 8.3009e-03 2.3894e-02 8.1721e+00 2.4842e+00
|
||||
60 1.1823e-04 8.5414e-05 8.2497e-03 2.1278e-02 8.1436e+00 2.4842e+00
|
||||
61 1.2617e-04 9.1267e-05 8.1958e-03 1.8921e-02 8.1147e+00 2.4842e+00
|
||||
62 1.3480e-04 9.7629e-05 8.1388e-03 1.6803e-02 8.0854e+00 2.4841e+00
|
||||
63 1.4418e-04 1.0455e-04 8.0783e-03 1.4901e-02 8.0558e+00 2.4841e+00
|
||||
64 1.5440e-04 1.1208e-04 8.0139e-03 1.3199e-02 8.0258e+00 2.4841e+00
|
||||
65 1.6553e-04 1.2029e-04 7.9453e-03 1.1677e-02 7.9954e+00 2.4841e+00
|
||||
66 1.7766e-04 1.2923e-04 7.8720e-03 1.0320e-02 7.9648e+00 2.4841e+00
|
||||
67 1.9088e-04 1.3898e-04 7.7936e-03 9.1123e-03 7.9338e+00 2.4841e+00
|
||||
68 2.0530e-04 1.4961e-04 7.7096e-03 8.0394e-03 7.9026e+00 2.4841e+00
|
||||
69 2.2102e-04 1.6120e-04 7.6195e-03 7.0883e-03 7.8711e+00 2.4841e+00
|
||||
70 2.3816e-04 1.7384e-04 7.5228e-03 6.2470e-03 7.8394e+00 2.4841e+00
|
||||
71 2.5684e-04 1.8761e-04 7.4190e-03 5.5044e-03 7.8076e+00 2.4841e+00
|
||||
72 2.7718e-04 2.0261e-04 7.3075e-03 4.8502e-03 7.7756e+00 2.4840e+00
|
||||
73 2.9932e-04 2.1894e-04 7.1879e-03 4.2750e-03 7.7435e+00 2.4840e+00
|
||||
74 3.2338e-04 2.3667e-04 7.0596e-03 3.7703e-03 7.7114e+00 2.4840e+00
|
||||
75 3.4948e-04 2.5592e-04 6.9223e-03 3.3283e-03 7.6795e+00 2.4840e+00
|
||||
76 3.7774e-04 2.7676e-04 6.7754e-03 2.9418e-03 7.6476e+00 2.4840e+00
|
||||
77 4.0827e-04 2.9927e-04 6.6188e-03 2.6044e-03 7.6160e+00 2.4840e+00
|
||||
78 4.4116e-04 3.2353e-04 6.4521e-03 2.3103e-03 7.5846e+00 2.4840e+00
|
||||
79 4.7647e-04 3.4956e-04 6.2753e-03 2.0543e-03 7.5537e+00 2.4840e+00
|
||||
80 5.1424e-04 3.7742e-04 6.0885e-03 1.8318e-03 7.5233e+00 2.4840e+00
|
||||
81 5.5447e-04 4.0708e-04 5.8918e-03 1.6385e-03 7.4935e+00 2.4840e+00
|
||||
82 5.9713e-04 4.3853e-04 5.6858e-03 1.4708e-03 7.4644e+00 2.4840e+00
|
||||
83 6.4211e-04 4.7170e-04 5.4711e-03 1.3254e-03 7.4361e+00 2.4840e+00
|
||||
84 6.8929e-04 5.0649e-04 5.2484e-03 1.1993e-03 7.4086e+00 2.4840e+00
|
||||
85 7.3770e-04 5.4355e-04 5.0184e-03 1.0897e-03 7.3821e+00 2.4840e+00
|
||||
86 7.8771e-04 5.8209e-04 4.7828e-03 9.9472e-04 7.3566e+00 2.4840e+00
|
||||
87 8.3912e-04 6.2177e-04 4.5432e-03 9.1244e-04 7.3322e+00 2.4840e+00
|
||||
88 8.9159e-04 6.6231e-04 4.3011e-03 8.4116e-04 7.3090e+00 2.4840e+00
|
||||
89 9.4475e-04 7.0344e-04 4.0581e-03 7.7938e-04 7.2870e+00 2.4840e+00
|
||||
90 9.9822e-04 7.4484e-04 3.8159e-03 7.2580e-04 7.2662e+00 2.4840e+00
|
||||
91 1.0516e-03 7.8621e-04 3.5763e-03 6.7929e-04 7.2467e+00 2.4840e+00
|
||||
92 1.1045e-03 8.2722e-04 3.3408e-03 6.3889e-04 7.2285e+00 2.4840e+00
|
||||
93 1.1565e-03 8.6759e-04 3.1110e-03 6.0376e-04 7.2115e+00 2.4840e+00
|
||||
94 1.2073e-03 9.0702e-04 2.8883e-03 5.7318e-04 7.1958e+00 2.4840e+00
|
||||
95 1.2565e-03 9.4526e-04 2.6739e-03 5.4653e-04 7.1812e+00 2.4840e+00
|
||||
96 1.3039e-03 9.8209e-04 2.4688e-03 5.2329e-04 7.1678e+00 2.4840e+00
|
||||
97 1.3493e-03 1.0173e-03 2.2738e-03 5.0299e-04 7.1555e+00 2.4840e+00
|
||||
98 1.3924e-03 1.0508e-03 2.0895e-03 4.8524e-04 7.1443e+00 2.4840e+00
|
||||
99 1.4331e-03 1.0825e-03 1.9162e-03 4.6970e-04 7.1340e+00 2.4840e+00
|
||||
100 1.4714e-03 1.1122e-03 1.7541e-03 4.5610e-04 7.1246e+00 2.4840e+00
|
||||
101 1.5072e-03 1.1400e-03 1.6033e-03 4.4416e-04 7.1161e+00 2.4840e+00
|
||||
102 1.5406e-03 1.1659e-03 1.4635e-03 4.3368e-04 7.1084e+00 2.4840e+00
|
||||
103 1.5714e-03 1.1898e-03 1.3345e-03 4.2448e-04 7.1015e+00 2.4840e+00
|
||||
104 1.5999e-03 1.2118e-03 1.2160e-03 4.1638e-04 7.0952e+00 2.4840e+00
|
||||
105 1.6261e-03 1.2321e-03 1.1074e-03 4.0926e-04 7.0895e+00 2.4840e+00
|
||||
106 1.6501e-03 1.2506e-03 1.0082e-03 4.0299e-04 7.0844e+00 2.4840e+00
|
||||
107 1.6720e-03 1.2675e-03 9.1795e-04 3.9746e-04 7.0799e+00 2.4840e+00
|
||||
108 1.6920e-03 1.2828e-03 8.3598e-04 3.9258e-04 7.0758e+00 2.4840e+00
|
||||
109 1.7101e-03 1.2968e-03 7.6174e-04 3.8828e-04 7.0721e+00 2.4840e+00
|
||||
110 1.7265e-03 1.3094e-03 6.9463e-04 3.8448e-04 7.0688e+00 2.4840e+00
|
||||
111 1.7414e-03 1.3207e-03 6.3409e-04 3.8113e-04 7.0659e+00 2.4840e+00
|
||||
112 1.7548e-03 1.3309e-03 5.7958e-04 3.7816e-04 7.0633e+00 2.4840e+00
|
||||
113 1.7669e-03 1.3401e-03 5.3057e-04 3.7554e-04 7.0609e+00 2.4840e+00
|
||||
114 1.7778e-03 1.3483e-03 4.8657e-04 3.7323e-04 7.0588e+00 2.4840e+00
|
||||
115 1.7876e-03 1.3557e-03 4.4712e-04 3.7118e-04 7.0570e+00 2.4840e+00
|
||||
116 1.7964e-03 1.3623e-03 4.1179e-04 3.6936e-04 7.0553e+00 2.4840e+00
|
||||
117 1.8043e-03 1.3682e-03 3.8019e-04 3.6776e-04 7.0538e+00 2.4840e+00
|
||||
118 1.8114e-03 1.3734e-03 3.5194e-04 3.6634e-04 7.0525e+00 2.4840e+00
|
||||
119 1.8178e-03 1.3781e-03 3.2671e-04 3.6508e-04 7.0514e+00 2.4840e+00
|
||||
120 1.8234e-03 1.3822e-03 3.0419e-04 3.6397e-04 7.0503e+00 2.4840e+00
|
||||
121 1.8285e-03 1.3859e-03 2.8411e-04 3.6299e-04 7.0494e+00 2.4840e+00
|
||||
122 1.8331e-03 1.3892e-03 2.6621e-04 3.6211e-04 7.0486e+00 2.4840e+00
|
||||
123 1.8372e-03 1.3921e-03 2.5026e-04 3.6134e-04 7.0478e+00 2.4840e+00
|
||||
124 1.8408e-03 1.3947e-03 2.3606e-04 3.6066e-04 7.0472e+00 2.4840e+00
|
||||
125 1.8441e-03 1.3969e-03 2.2343e-04 3.6005e-04 7.0466e+00 2.4840e+00
|
||||
126 1.8471e-03 1.3989e-03 2.1218e-04 3.5951e-04 7.0461e+00 2.4840e+00
|
||||
127 1.8497e-03 1.4007e-03 2.0218e-04 3.5904e-04 7.0457e+00 2.4840e+00
|
||||
128 1.8520e-03 1.4022e-03 1.9328e-04 3.5862e-04 7.0453e+00 2.4840e+00
|
||||
129 1.8542e-03 1.4036e-03 1.8538e-04 3.5825e-04 7.0449e+00 2.4840e+00
|
||||
130 1.8561e-03 1.4048e-03 1.7835e-04 3.5792e-04 7.0446e+00 2.4840e+00
|
||||
131 1.8578e-03 1.4058e-03 1.7211e-04 3.5762e-04 7.0443e+00 2.4840e+00
|
||||
132 1.8593e-03 1.4067e-03 1.6656e-04 3.5736e-04 7.0441e+00 2.4840e+00
|
||||
133 1.8607e-03 1.4075e-03 1.6163e-04 3.5714e-04 7.0438e+00 2.4840e+00
|
||||
134 1.8619e-03 1.4082e-03 1.5725e-04 3.5693e-04 7.0436e+00 2.4840e+00
|
||||
135 1.8630e-03 1.4088e-03 1.5337e-04 3.5675e-04 7.0435e+00 2.4840e+00
|
||||
136 1.8640e-03 1.4093e-03 1.4992e-04 3.5660e-04 7.0433e+00 2.4840e+00
|
||||
137 1.8650e-03 1.4097e-03 1.4685e-04 3.5646e-04 7.0432e+00 2.4840e+00
|
||||
138 1.8658e-03 1.4101e-03 1.4413e-04 3.5633e-04 7.0431e+00 2.4840e+00
|
||||
139 1.8665e-03 1.4104e-03 1.4172e-04 3.5622e-04 7.0430e+00 2.4840e+00
|
||||
140 1.8672e-03 1.4107e-03 1.3957e-04 3.5613e-04 7.0429e+00 2.4840e+00
|
||||
141 1.8679e-03 1.4109e-03 1.3767e-04 3.5604e-04 7.0428e+00 2.4840e+00
|
||||
142 1.8684e-03 1.4110e-03 1.3598e-04 3.5597e-04 7.0427e+00 2.4840e+00
|
||||
143 1.8690e-03 1.4112e-03 1.3448e-04 3.5590e-04 7.0426e+00 2.4840e+00
|
||||
144 1.8694e-03 1.4113e-03 1.3315e-04 3.5584e-04 7.0426e+00 2.4840e+00
|
||||
145 1.8699e-03 1.4114e-03 1.3197e-04 3.5579e-04 7.0425e+00 2.4840e+00
|
||||
146 1.8703e-03 1.4114e-03 1.3093e-04 3.5575e-04 7.0425e+00 2.4840e+00
|
||||
147 1.8707e-03 1.4115e-03 1.3000e-04 3.5571e-04 7.0425e+00 2.4840e+00
|
||||
148 1.8710e-03 1.4115e-03 1.2917e-04 3.5568e-04 7.0424e+00 2.4840e+00
|
||||
149 1.8714e-03 1.4115e-03 1.2844e-04 3.5565e-04 7.0424e+00 2.4840e+00
|
||||
150 1.8717e-03 1.4115e-03 1.2779e-04 3.5562e-04 7.0424e+00 2.4840e+00
|
||||
151 1.8720e-03 1.4114e-03 1.2721e-04 3.5560e-04 7.0423e+00 2.4840e+00
|
||||
152 1.8722e-03 1.4114e-03 1.2670e-04 3.5558e-04 7.0423e+00 2.4840e+00
|
||||
153 1.8725e-03 1.4113e-03 1.2625e-04 3.5556e-04 7.0423e+00 2.4840e+00
|
||||
154 1.8727e-03 1.4113e-03 1.2585e-04 3.5555e-04 7.0423e+00 2.4840e+00
|
||||
155 1.8730e-03 1.4112e-03 1.2549e-04 3.5553e-04 7.0423e+00 2.4840e+00
|
||||
156 1.8732e-03 1.4111e-03 1.2517e-04 3.5552e-04 7.0423e+00 2.4840e+00
|
||||
157 1.8734e-03 1.4111e-03 1.2489e-04 3.5551e-04 7.0423e+00 2.4840e+00
|
||||
158 1.8736e-03 1.4110e-03 1.2464e-04 3.5551e-04 7.0423e+00 2.4840e+00
|
||||
159 1.8738e-03 1.4109e-03 1.2442e-04 3.5550e-04 7.0423e+00 2.4840e+00
|
||||
160 1.8740e-03 1.4108e-03 1.2423e-04 3.5549e-04 7.0422e+00 2.4840e+00
|
||||
161 1.8742e-03 1.4107e-03 1.2405e-04 3.5549e-04 7.0422e+00 2.4840e+00
|
||||
162 1.8743e-03 1.4106e-03 1.2390e-04 3.5549e-04 7.0422e+00 2.4840e+00
|
||||
163 1.8745e-03 1.4105e-03 1.2376e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
164 1.8747e-03 1.4104e-03 1.2364e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
165 1.8748e-03 1.4103e-03 1.2353e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
166 1.8750e-03 1.4102e-03 1.2344e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
167 1.8751e-03 1.4101e-03 1.2335e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
168 1.8753e-03 1.4099e-03 1.2328e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
169 1.8754e-03 1.4098e-03 1.2321e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
170 1.8756e-03 1.4097e-03 1.2315e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
171 1.8757e-03 1.4096e-03 1.2310e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
172 1.8759e-03 1.4095e-03 1.2305e-04 3.5548e-04 7.0422e+00 2.4840e+00
|
||||
173 1.8760e-03 1.4094e-03 1.2301e-04 3.5549e-04 7.0422e+00 2.4840e+00
|
||||
174 1.8761e-03 1.4093e-03 1.2297e-04 3.5549e-04 7.0422e+00 2.4840e+00
|
||||
175 1.8763e-03 1.4092e-03 1.2294e-04 3.5549e-04 7.0422e+00 2.4840e+00
|
||||
176 1.8764e-03 1.4091e-03 1.2291e-04 3.5549e-04 7.0422e+00 2.4840e+00
|
||||
177 1.8765e-03 1.4089e-03 1.2288e-04 3.5549e-04 7.0422e+00 2.4840e+00
|
||||
178 1.8767e-03 1.4088e-03 1.2286e-04 3.5550e-04 7.0422e+00 2.4840e+00
|
||||
179 1.8768e-03 1.4087e-03 1.2284e-04 3.5550e-04 7.0422e+00 2.4840e+00
|
||||
180 1.8769e-03 1.4086e-03 1.2282e-04 3.5550e-04 7.0422e+00 2.4840e+00
|
||||
181 1.8770e-03 1.4085e-03 1.2281e-04 3.5551e-04 7.0423e+00 2.4840e+00
|
||||
182 1.8771e-03 1.4084e-03 1.2279e-04 3.5551e-04 7.0423e+00 2.4840e+00
|
||||
183 1.8773e-03 1.4083e-03 1.2278e-04 3.5551e-04 7.0423e+00 2.4840e+00
|
||||
184 1.8774e-03 1.4082e-03 1.2277e-04 3.5551e-04 7.0423e+00 2.4840e+00
|
||||
185 1.8775e-03 1.4081e-03 1.2276e-04 3.5552e-04 7.0423e+00 2.4840e+00
|
||||
186 1.8776e-03 1.4080e-03 1.2275e-04 3.5552e-04 7.0423e+00 2.4840e+00
|
||||
187 1.8777e-03 1.4079e-03 1.2274e-04 3.5552e-04 7.0423e+00 2.4840e+00
|
||||
188 1.8778e-03 1.4078e-03 1.2274e-04 3.5553e-04 7.0423e+00 2.4840e+00
|
||||
189 1.8780e-03 1.4076e-03 1.2273e-04 3.5553e-04 7.0423e+00 2.4840e+00
|
||||
190 1.8781e-03 1.4075e-03 1.2273e-04 3.5553e-04 7.0423e+00 2.4840e+00
|
||||
191 1.8782e-03 1.4074e-03 1.2272e-04 3.5553e-04 7.0423e+00 2.4840e+00
|
||||
192 1.8783e-03 1.4073e-03 1.2272e-04 3.5554e-04 7.0423e+00 2.4840e+00
|
||||
193 1.8784e-03 1.4072e-03 1.2271e-04 3.5554e-04 7.0423e+00 2.4840e+00
|
||||
194 1.8785e-03 1.4071e-03 1.2271e-04 3.5554e-04 7.0423e+00 2.4840e+00
|
||||
195 1.8786e-03 1.4070e-03 1.2271e-04 3.5555e-04 7.0423e+00 2.4840e+00
|
||||
196 1.8787e-03 1.4069e-03 1.2270e-04 3.5555e-04 7.0423e+00 2.4840e+00
|
||||
197 1.8788e-03 1.4068e-03 1.2270e-04 3.5555e-04 7.0423e+00 2.4840e+00
|
||||
198 1.8789e-03 1.4067e-03 1.2270e-04 3.5556e-04 7.0423e+00 2.4840e+00
|
||||
199 1.8790e-03 1.4066e-03 1.2270e-04 3.5556e-04 7.0423e+00 2.4840e+00
|
||||
200 1.8792e-03 1.4065e-03 1.2270e-04 3.5556e-04 7.0423e+00 2.4840e+00
|
||||
|
||||
6
ex15.out
6
ex15.out
@ -212,7 +212,7 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
TRANSPORT Last 55 hours with background infilling solution
|
||||
shifts 110
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 10.98 Seconds.
|
||||
-------------------------------
|
||||
------------------------------
|
||||
End of Run after 11.4 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
@ -190,6 +190,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
shifts 110
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 10.96 Seconds.
|
||||
End of Run after 11.43 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
@ -187,6 +187,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
|
||||
shifts 110
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 10.99 Seconds.
|
||||
End of Run after 11.41 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
120
ex16.out
120
ex16.out
@ -82,14 +82,14 @@ Initial solution 1.
|
||||
Density (g/cm3) = 0.99708
|
||||
Volume (L) = 1.00305
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 4.851e-04
|
||||
Ionic strength = 4.852e-04
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 7.824e-04
|
||||
Total CO2 (mol/kg) = 7.824e-04
|
||||
Total carbon (mol/kg) = 7.825e-04
|
||||
Total CO2 (mol/kg) = 7.825e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 1.400e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90
|
||||
Iterations = 8
|
||||
Iterations = 7
|
||||
Total H = 1.110139e+02
|
||||
Total O = 5.550924e+01
|
||||
|
||||
@ -101,23 +101,23 @@ Initial solution 1.
|
||||
H+ 6.465e-07 6.310e-07 -6.189 -6.200 -0.011 0.00
|
||||
OH- 1.645e-08 1.604e-08 -7.784 -7.795 -0.011 -4.12
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(4) 7.824e-04
|
||||
CO2 4.539e-04 4.539e-04 -3.343 -3.343 0.000 30.26
|
||||
HCO3- 3.280e-04 3.200e-04 -3.484 -3.495 -0.011 24.58
|
||||
CaHCO3+ 2.939e-07 2.867e-07 -6.532 -6.543 -0.011 9.66
|
||||
NaHCO3 1.049e-07 1.049e-07 -6.979 -6.979 0.000 19.41
|
||||
MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47
|
||||
CO3-2 2.627e-08 2.378e-08 -7.581 -7.624 -0.043 -4.41
|
||||
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60
|
||||
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09
|
||||
NaCO3- 1.422e-11 1.387e-11 -10.847 -10.858 -0.011 -0.67
|
||||
C(4) 7.825e-04
|
||||
CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 29.09
|
||||
HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.70
|
||||
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
|
||||
MgHCO3+ 1.003e-07 9.781e-08 -6.999 -7.010 -0.011 5.47
|
||||
CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -5.55
|
||||
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 2.13
|
||||
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 -14.60
|
||||
MgCO3 5.928e-10 5.929e-10 -9.227 -9.227 0.000 -17.09
|
||||
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.238 -0.011 -0.63
|
||||
Ca 7.800e-05
|
||||
Ca+2 7.760e-05 7.023e-05 -4.110 -4.153 -0.043 -18.17
|
||||
CaHCO3+ 2.939e-07 2.867e-07 -6.532 -6.543 -0.011 9.66
|
||||
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60
|
||||
CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66
|
||||
CaSO4 1.110e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
CaCO3 2.806e-09 2.807e-09 -8.552 -8.552 0.000 -14.60
|
||||
CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011 (0)
|
||||
CaHSO4+ 4.724e-13 4.606e-13 -12.326 -12.337 -0.011 (0)
|
||||
CaHSO4+ 4.723e-13 4.606e-13 -12.326 -12.337 -0.011 (0)
|
||||
Cl 1.400e-05
|
||||
Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07
|
||||
H(0) 5.636e-24
|
||||
@ -127,26 +127,26 @@ K 2.800e-05
|
||||
KSO4- 1.749e-09 1.706e-09 -8.757 -8.768 -0.011 (0)
|
||||
Mg 2.900e-05
|
||||
Mg+2 2.885e-05 2.612e-05 -4.540 -4.583 -0.043 -21.86
|
||||
MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47
|
||||
MgHCO3+ 1.003e-07 9.781e-08 -6.999 -7.010 -0.011 5.47
|
||||
MgSO4 5.444e-08 5.445e-08 -7.264 -7.264 0.000 5.84
|
||||
MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09
|
||||
MgCO3 5.928e-10 5.929e-10 -9.227 -9.227 0.000 -17.09
|
||||
MgOH+ 1.541e-10 1.503e-10 -9.812 -9.823 -0.011 (0)
|
||||
Na 1.340e-04
|
||||
Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.40
|
||||
NaHCO3 1.049e-07 1.049e-07 -6.979 -6.979 0.000 19.41
|
||||
NaSO4- 5.967e-09 5.820e-09 -8.224 -8.235 -0.011 18.41
|
||||
NaCO3- 1.422e-11 1.387e-11 -10.847 -10.858 -0.011 -0.67
|
||||
NaOH 2.095e-22 2.095e-22 -21.679 -21.679 0.000 (0)
|
||||
Na+ 1.340e-04 1.307e-04 -3.873 -3.884 -0.011 -1.40
|
||||
NaHCO3 2.351e-08 2.352e-08 -7.629 -7.629 0.000 2.13
|
||||
NaSO4- 5.970e-09 5.823e-09 -8.224 -8.235 -0.011 18.41
|
||||
NaCO3- 5.935e-11 5.788e-11 -10.227 -10.238 -0.011 -0.63
|
||||
NaOH 2.096e-22 2.096e-22 -21.679 -21.679 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -45.280 -45.280 0.000 30.40
|
||||
S(6) 1.000e-05
|
||||
SO4-2 9.827e-06 8.892e-06 -5.008 -5.051 -0.043 13.98
|
||||
CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
CaSO4 1.110e-07 1.111e-07 -6.954 -6.954 0.000 7.50
|
||||
MgSO4 5.444e-08 5.445e-08 -7.264 -7.264 0.000 5.84
|
||||
NaSO4- 5.967e-09 5.820e-09 -8.224 -8.235 -0.011 18.41
|
||||
NaSO4- 5.970e-09 5.823e-09 -8.224 -8.235 -0.011 18.41
|
||||
KSO4- 1.749e-09 1.706e-09 -8.757 -8.768 -0.011 (0)
|
||||
HSO4- 5.594e-10 5.455e-10 -9.252 -9.263 -0.011 40.27
|
||||
CaHSO4+ 4.724e-13 4.606e-13 -12.326 -12.337 -0.011 (0)
|
||||
CaHSO4+ 4.723e-13 4.606e-13 -12.326 -12.337 -0.011 (0)
|
||||
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
|
||||
@ -199,14 +199,14 @@ Initial solution 2.
|
||||
Density (g/cm3) = 0.99713
|
||||
Volume (L) = 1.00309
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 1.313e-03
|
||||
Ionic strength = 1.314e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 1.199e-03
|
||||
Total CO2 (mol/kg) = 1.199e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.400e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73
|
||||
Iterations = 7
|
||||
Iterations = 6
|
||||
Total H = 1.110150e+02
|
||||
Total O = 5.551125e+01
|
||||
|
||||
@ -219,51 +219,51 @@ Initial solution 2.
|
||||
OH- 6.652e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(4) 1.199e-03
|
||||
HCO3- 8.903e-04 8.554e-04 -3.050 -3.068 -0.017 24.60
|
||||
CO2 3.047e-04 3.048e-04 -3.516 -3.516 0.000 30.26
|
||||
CaHCO3+ 2.483e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
|
||||
MgHCO3+ 6.231e-07 5.983e-07 -6.205 -6.223 -0.018 5.48
|
||||
NaHCO3 5.333e-07 5.334e-07 -6.273 -6.273 0.000 19.41
|
||||
CO3-2 2.970e-07 2.531e-07 -6.527 -6.597 -0.069 -4.35
|
||||
CaCO3 9.296e-08 9.298e-08 -7.032 -7.032 0.000 -14.60
|
||||
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09
|
||||
NaCO3- 2.921e-10 2.807e-10 -9.534 -9.552 -0.017 -0.66
|
||||
HCO3- 8.907e-04 8.558e-04 -3.050 -3.068 -0.017 24.72
|
||||
CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 29.09
|
||||
CaHCO3+ 2.484e-06 2.388e-06 -5.605 -5.622 -0.017 9.68
|
||||
MgHCO3+ 6.233e-07 5.985e-07 -6.205 -6.223 -0.018 5.48
|
||||
CO3-2 2.972e-07 2.532e-07 -6.527 -6.596 -0.069 -5.49
|
||||
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 2.13
|
||||
CaCO3 9.300e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
|
||||
MgCO3 1.444e-08 1.444e-08 -7.840 -7.840 0.000 -17.09
|
||||
NaCO3- 1.221e-09 1.172e-09 -8.913 -8.931 -0.018 -0.61
|
||||
Ca 2.600e-04
|
||||
Ca+2 2.567e-04 2.187e-04 -3.591 -3.660 -0.070 -18.13
|
||||
CaHCO3+ 2.483e-06 2.387e-06 -5.605 -5.622 -0.017 9.68
|
||||
CaHCO3+ 2.484e-06 2.388e-06 -5.605 -5.622 -0.017 9.68
|
||||
CaSO4 7.909e-07 7.911e-07 -6.102 -6.102 0.000 7.50
|
||||
CaCO3 9.296e-08 9.298e-08 -7.032 -7.032 0.000 -14.60
|
||||
CaCO3 9.300e-08 9.302e-08 -7.032 -7.031 0.000 -14.60
|
||||
CaOH+ 2.385e-10 2.290e-10 -9.623 -9.640 -0.018 (0)
|
||||
CaHSO4+ 8.584e-13 8.242e-13 -12.066 -12.084 -0.018 (0)
|
||||
CaHSO4+ 8.583e-13 8.242e-13 -12.066 -12.084 -0.018 (0)
|
||||
Cl 3.000e-05
|
||||
Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.08
|
||||
H(0) 3.555e-25
|
||||
H2 1.778e-25 1.778e-25 -24.750 -24.750 0.000 28.61
|
||||
K 4.000e-05
|
||||
K+ 4.000e-05 3.840e-05 -4.398 -4.416 -0.018 9.01
|
||||
KSO4- 5.713e-09 5.489e-09 -8.243 -8.260 -0.017 (0)
|
||||
KSO4- 5.713e-09 5.489e-09 -8.243 -8.261 -0.017 (0)
|
||||
Mg 7.101e-05
|
||||
Mg+2 7.008e-05 5.977e-05 -4.154 -4.224 -0.069 -21.81
|
||||
MgHCO3+ 6.231e-07 5.983e-07 -6.205 -6.223 -0.018 5.48
|
||||
MgHCO3+ 6.233e-07 5.985e-07 -6.205 -6.223 -0.018 5.48
|
||||
MgSO4 2.850e-07 2.851e-07 -6.545 -6.545 0.000 5.84
|
||||
MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09
|
||||
MgCO3 1.444e-08 1.444e-08 -7.840 -7.840 0.000 -17.09
|
||||
MgOH+ 1.424e-09 1.369e-09 -8.846 -8.864 -0.017 (0)
|
||||
Na 2.590e-04
|
||||
Na+ 2.585e-04 2.482e-04 -3.588 -3.605 -0.018 -1.38
|
||||
NaHCO3 5.333e-07 5.334e-07 -6.273 -6.273 0.000 19.41
|
||||
NaSO4- 2.635e-08 2.531e-08 -7.579 -7.597 -0.017 18.44
|
||||
NaCO3- 2.921e-10 2.807e-10 -9.534 -9.552 -0.017 -0.66
|
||||
NaOH 1.585e-21 1.585e-21 -20.800 -20.800 0.000 (0)
|
||||
Na+ 2.589e-04 2.486e-04 -3.587 -3.604 -0.018 -1.38
|
||||
NaHCO3 1.196e-07 1.197e-07 -6.922 -6.922 0.000 2.13
|
||||
NaSO4- 2.639e-08 2.535e-08 -7.579 -7.596 -0.017 18.44
|
||||
NaCO3- 1.221e-09 1.172e-09 -8.913 -8.931 -0.018 -0.61
|
||||
NaOH 1.587e-21 1.588e-21 -20.799 -20.799 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -42.880 -42.880 0.000 30.40
|
||||
S(6) 2.500e-05
|
||||
SO4-2 2.389e-05 2.035e-05 -4.622 -4.692 -0.070 14.03
|
||||
SO4-2 2.389e-05 2.034e-05 -4.622 -4.692 -0.070 14.03
|
||||
CaSO4 7.909e-07 7.911e-07 -6.102 -6.102 0.000 7.50
|
||||
MgSO4 2.850e-07 2.851e-07 -6.545 -6.545 0.000 5.84
|
||||
NaSO4- 2.635e-08 2.531e-08 -7.579 -7.597 -0.017 18.44
|
||||
KSO4- 5.713e-09 5.489e-09 -8.243 -8.260 -0.017 (0)
|
||||
NaSO4- 2.639e-08 2.535e-08 -7.579 -7.596 -0.017 18.44
|
||||
KSO4- 5.713e-09 5.489e-09 -8.243 -8.261 -0.017 (0)
|
||||
HSO4- 3.265e-10 3.135e-10 -9.486 -9.504 -0.018 40.28
|
||||
CaHSO4+ 8.584e-13 8.242e-13 -12.066 -12.084 -0.018 (0)
|
||||
CaHSO4+ 8.583e-13 8.242e-13 -12.066 -12.084 -0.018 (0)
|
||||
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
|
||||
@ -278,12 +278,12 @@ Si 4.100e-04
|
||||
Calcite -1.78 -10.26 -8.48 CaCO3
|
||||
Chalcedony 0.16 -3.39 -3.55 SiO2
|
||||
Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.06 -3.52 -1.46 CO2
|
||||
CO2(g) -2.05 -3.52 -1.46 CO2
|
||||
Dolomite -3.99 -21.08 -17.09 CaMg(CO3)2
|
||||
Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O
|
||||
H2(g) -21.65 -24.75 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
Halite -9.72 -8.15 1.57 NaCl
|
||||
Halite -9.71 -8.14 1.57 NaCl
|
||||
O2(g) -39.99 -42.88 -2.89 O2
|
||||
Quartz 0.59 -3.39 -3.98 SiO2
|
||||
Sepiolite -7.17 8.59 15.76 Mg2Si3O7.5OH:3H2O
|
||||
@ -306,7 +306,7 @@ Solution 1:
|
||||
Al 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 7.824e-04 + 0.000e+00 = 7.824e-04
|
||||
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
|
||||
Ca 7.800e-05 + -2.550e-06 = 7.545e-05
|
||||
Cl 1.400e-05 + 0.000e+00 = 1.400e-05
|
||||
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
@ -346,7 +346,7 @@ Phase mole transfers: Minimum Maximum
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O
|
||||
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)2
|
||||
CO2(g) 3.006e-04 2.362e-04 3.655e-04 CO2
|
||||
CO2(g) 3.006e-04 2.363e-04 3.655e-04 CO2
|
||||
Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3
|
||||
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2
|
||||
Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O8
|
||||
@ -368,7 +368,7 @@ Solution 1:
|
||||
Al 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
Alkalinity 3.280e-04 + 8.200e-06 = 3.362e-04
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 7.824e-04 + 0.000e+00 = 7.824e-04
|
||||
C(4) 7.825e-04 + 0.000e+00 = 7.825e-04
|
||||
Ca 7.800e-05 + -2.550e-06 = 7.545e-05
|
||||
Cl 1.400e-05 + 0.000e+00 = 1.400e-05
|
||||
H(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
@ -407,7 +407,7 @@ Phase mole transfers: Minimum Maximum
|
||||
Halite 1.600e-05 1.490e-05 1.710e-05 NaCl
|
||||
Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O
|
||||
Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4
|
||||
CO2(g) 3.140e-04 2.490e-04 3.794e-04 CO2
|
||||
CO2(g) 3.140e-04 2.490e-04 3.795e-04 CO2
|
||||
Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3
|
||||
Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2
|
||||
Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2
|
||||
|
||||
232
ex18.out
232
ex18.out
@ -141,17 +141,17 @@ Initial solution 1. Recharge number 3
|
||||
H+ 3.038e-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- 3.929e-03 3.622e-03 -2.406 -2.441 -0.035 23.01
|
||||
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001 35.36
|
||||
HCO3- 3.929e-03 3.622e-03 -2.406 -2.441 -0.035 23.15
|
||||
CO2 2.970e-04 2.974e-04 -3.527 -3.527 0.001 33.67
|
||||
MgHCO3+ 3.098e-05 2.848e-05 -4.509 -4.545 -0.036 4.93
|
||||
CaHCO3+ 3.026e-05 2.793e-05 -4.519 -4.554 -0.035 8.96
|
||||
CO3-2 5.766e-06 4.167e-06 -5.239 -5.380 -0.141 -6.79
|
||||
CO3-2 5.766e-06 4.167e-06 -5.239 -5.380 -0.141 -7.33
|
||||
CaCO3 4.729e-06 4.736e-06 -5.325 -5.325 0.001 -14.66
|
||||
MgCO3 2.207e-06 2.210e-06 -5.656 -5.656 0.001 -17.07
|
||||
FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0)
|
||||
NaHCO3 1.719e-07 1.721e-07 -6.765 -6.764 0.001 19.41
|
||||
FeCO3 5.287e-08 5.295e-08 -7.277 -7.276 0.001 (0)
|
||||
NaCO3- 3.459e-10 3.190e-10 -9.461 -9.496 -0.035 -2.67
|
||||
NaHCO3 4.088e-08 4.095e-08 -7.388 -7.388 0.001 2.13
|
||||
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 -2.49
|
||||
Ca 1.200e-03
|
||||
Ca+2 1.152e-03 8.322e-04 -2.939 -3.080 -0.141 -18.31
|
||||
CaHCO3+ 3.026e-05 2.793e-05 -4.519 -4.554 -0.035 8.96
|
||||
@ -184,11 +184,11 @@ Mg 1.010e-03
|
||||
MgCO3 2.207e-06 2.210e-06 -5.656 -5.656 0.001 -17.07
|
||||
MgOH+ 2.324e-08 2.147e-08 -7.634 -7.668 -0.034 (0)
|
||||
Na 2.000e-05
|
||||
Na+ 1.982e-05 1.825e-05 -4.703 -4.739 -0.036 -2.33
|
||||
NaHCO3 1.719e-07 1.721e-07 -6.765 -6.764 0.001 19.41
|
||||
NaSO4- 8.809e-09 8.122e-09 -8.055 -8.090 -0.035 18.16
|
||||
NaCO3- 3.459e-10 3.190e-10 -9.461 -9.496 -0.035 -2.67
|
||||
NaOH 1.885e-22 1.888e-22 -21.725 -21.724 0.001 (0)
|
||||
Na+ 1.995e-05 1.837e-05 -4.700 -4.736 -0.036 -2.33
|
||||
NaHCO3 4.088e-08 4.095e-08 -7.388 -7.388 0.001 2.13
|
||||
NaSO4- 8.867e-09 8.175e-09 -8.052 -8.087 -0.035 18.16
|
||||
NaCO3- 6.948e-10 6.391e-10 -9.158 -9.194 -0.036 -2.49
|
||||
NaOH 1.897e-22 1.900e-22 -21.722 -21.721 0.001 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -61.151 -61.151 0.001 28.94
|
||||
S(6) 1.600e-04
|
||||
@ -196,7 +196,7 @@ S(6) 1.600e-04
|
||||
CaSO4 1.288e-05 1.290e-05 -4.890 -4.889 0.001 6.78
|
||||
MgSO4 1.070e-05 1.071e-05 -4.971 -4.970 0.001 5.11
|
||||
KSO4- 1.042e-08 9.604e-09 -7.982 -8.018 -0.035 (0)
|
||||
NaSO4- 8.809e-09 8.122e-09 -8.055 -8.090 -0.035 18.16
|
||||
NaSO4- 8.867e-09 8.175e-09 -8.052 -8.087 -0.035 18.16
|
||||
FeSO4 6.907e-09 6.917e-09 -8.161 -8.160 0.001 (0)
|
||||
HSO4- 2.151e-10 1.978e-10 -9.667 -9.704 -0.036 38.92
|
||||
CaHSO4+ 2.152e-12 1.980e-12 -11.667 -11.703 -0.036 (0)
|
||||
@ -207,7 +207,7 @@ S(6) 1.600e-04
|
||||
Phase SI log IAP log K(283 K, 1 atm)
|
||||
|
||||
Anhydrite -2.97 -7.09 -4.12 CaSO4
|
||||
Aragonite -0.21 -8.46 -8.25 CaCO3
|
||||
Aragonite -0.20 -8.46 -8.25 CaCO3
|
||||
Calcite -0.05 -8.46 -8.41 CaCO3
|
||||
CH2O -33.73 -33.73 0.00 CH2O
|
||||
CO2(g) -2.26 -3.53 -1.27 CO2
|
||||
@ -215,7 +215,7 @@ S(6) 1.600e-04
|
||||
Gypsum -2.50 -7.09 -4.59 CaSO4:2H2O
|
||||
H2(g) -15.13 -18.18 -3.05 H2
|
||||
H2O(g) -1.91 -0.00 1.91 H2O
|
||||
Halite -11.01 -9.47 1.54 NaCl
|
||||
Halite -11.03 -9.47 1.56 NaCl
|
||||
Melanterite -7.87 -10.28 -2.41 FeSO4:7H2O
|
||||
O2(g) -58.39 -61.15 -2.76 O2
|
||||
Siderite -0.86 -11.66 -10.79 FeCO3
|
||||
@ -242,20 +242,20 @@ Initial solution 2. Mysse
|
||||
|
||||
pH = 6.610
|
||||
pe = 0.000
|
||||
Specific Conductance (uS/cm, 63 oC) = 10081
|
||||
Specific Conductance (uS/cm, 63 oC) = 10103
|
||||
Density (g/cm3) = 0.98527
|
||||
Volume (L) = 1.02100
|
||||
Activity of water = 0.999
|
||||
Ionic strength = 7.389e-02
|
||||
Ionic strength = 7.403e-02
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 5.299e-03
|
||||
Total alkalinity (eq/kg) = 5.262e-03
|
||||
Total CO2 (mol/kg) = 6.870e-03
|
||||
Temperature (deg C) = 63.00
|
||||
Electrical balance (eq) = 3.202e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.12
|
||||
Electrical balance (eq) = 3.239e-03
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.15
|
||||
Iterations = 8
|
||||
Total H = 1.110179e+02
|
||||
Total O = 5.560453e+01
|
||||
Total O = 5.560449e+01
|
||||
|
||||
---------------------------------Redox couples---------------------------------
|
||||
|
||||
@ -268,100 +268,100 @@ Initial solution 2. Mysse
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 5.980e-07 4.607e-07 -6.223 -6.337 -0.113 -3.62
|
||||
H+ 2.965e-07 2.455e-07 -6.528 -6.610 -0.082 0.00
|
||||
OH- 5.981e-07 4.607e-07 -6.223 -6.337 -0.113 -3.62
|
||||
H+ 2.966e-07 2.455e-07 -6.528 -6.610 -0.082 0.00
|
||||
H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35
|
||||
C(4) 6.870e-03
|
||||
HCO3- 4.604e-03 3.656e-03 -2.337 -2.437 -0.100 26.24
|
||||
CO2 1.740e-03 1.770e-03 -2.759 -2.752 0.007 23.72
|
||||
CaHCO3+ 2.384e-04 1.909e-04 -3.623 -3.719 -0.097 10.66
|
||||
NaHCO3 2.029e-04 2.064e-04 -3.693 -3.685 0.007 19.41
|
||||
MgHCO3+ 6.403e-05 4.976e-05 -4.194 -4.303 -0.109 6.11
|
||||
CaCO3 1.595e-05 1.622e-05 -4.797 -4.790 0.007 -14.51
|
||||
CO3-2 2.728e-06 1.085e-06 -5.564 -5.965 -0.401 -2.63
|
||||
MgCO3 1.581e-06 1.608e-06 -5.801 -5.794 0.007 -17.09
|
||||
NaCO3- 1.692e-07 1.343e-07 -6.772 -6.872 -0.100 1.12
|
||||
FeHCO3+ 1.149e-08 9.017e-09 -7.940 -8.045 -0.105 (0)
|
||||
FeCO3 6.311e-10 6.419e-10 -9.200 -9.193 0.007 (0)
|
||||
HCO3- 4.713e-03 3.742e-03 -2.327 -2.427 -0.100 26.27
|
||||
CO2 1.781e-03 1.812e-03 -2.749 -2.742 0.007 23.33
|
||||
CaHCO3+ 2.439e-04 1.952e-04 -3.613 -3.709 -0.097 10.66
|
||||
MgHCO3+ 6.553e-05 5.092e-05 -4.184 -4.293 -0.110 6.11
|
||||
NaHCO3 4.167e-05 4.238e-05 -4.380 -4.373 0.007 2.13
|
||||
CaCO3 1.631e-05 1.659e-05 -4.787 -4.780 0.007 -14.51
|
||||
NaCO3- 3.516e-06 2.759e-06 -5.454 -5.559 -0.105 0.80
|
||||
CO3-2 2.794e-06 1.111e-06 -5.554 -5.954 -0.401 -6.56
|
||||
MgCO3 1.617e-06 1.645e-06 -5.791 -5.784 0.007 -17.09
|
||||
FeHCO3+ 1.176e-08 9.225e-09 -7.930 -8.035 -0.105 (0)
|
||||
FeCO3 6.456e-10 6.567e-10 -9.190 -9.183 0.007 (0)
|
||||
Ca 1.128e-02
|
||||
Ca+2 7.604e-03 3.039e-03 -2.119 -2.517 -0.398 -17.56
|
||||
CaSO4 3.422e-03 3.481e-03 -2.466 -2.458 0.007 8.42
|
||||
CaHCO3+ 2.384e-04 1.909e-04 -3.623 -3.719 -0.097 10.66
|
||||
CaCO3 1.595e-05 1.622e-05 -4.797 -4.790 0.007 -14.51
|
||||
CaHSO4+ 1.419e-08 1.113e-08 -7.848 -7.953 -0.105 (0)
|
||||
CaOH+ 2.614e-09 2.051e-09 -8.583 -8.688 -0.105 (0)
|
||||
Ca+2 7.602e-03 3.036e-03 -2.119 -2.518 -0.399 -17.56
|
||||
CaSO4 3.418e-03 3.476e-03 -2.466 -2.459 0.007 8.42
|
||||
CaHCO3+ 2.439e-04 1.952e-04 -3.613 -3.709 -0.097 10.66
|
||||
CaCO3 1.631e-05 1.659e-05 -4.787 -4.780 0.007 -14.51
|
||||
CaHSO4+ 1.417e-08 1.112e-08 -7.849 -7.954 -0.105 (0)
|
||||
CaOH+ 2.612e-09 2.050e-09 -8.583 -8.688 -0.105 (0)
|
||||
Cl 1.785e-02
|
||||
Cl- 1.785e-02 1.382e-02 -1.748 -1.859 -0.111 18.29
|
||||
FeCl+ 5.998e-10 4.707e-10 -9.222 -9.327 -0.105 (0)
|
||||
FeCl+ 5.994e-10 4.703e-10 -9.222 -9.328 -0.105 (0)
|
||||
Fe(2) 4.000e-07
|
||||
Fe(HS)2 2.822e-07 2.871e-07 -6.549 -6.542 0.007 (0)
|
||||
Fe+2 6.004e-08 2.467e-08 -7.222 -7.608 -0.386 -19.91
|
||||
FeSO4 3.995e-08 4.064e-08 -7.398 -7.391 0.007 (0)
|
||||
FeHCO3+ 1.149e-08 9.017e-09 -7.940 -8.045 -0.105 (0)
|
||||
Fe(HS)3- 4.552e-09 3.572e-09 -8.342 -8.447 -0.105 (0)
|
||||
FeCO3 6.311e-10 6.419e-10 -9.200 -9.193 0.007 (0)
|
||||
FeCl+ 5.998e-10 4.707e-10 -9.222 -9.327 -0.105 (0)
|
||||
FeOH+ 4.987e-10 3.937e-10 -9.302 -9.405 -0.103 (0)
|
||||
Fe(OH)2 2.514e-13 2.557e-13 -12.600 -12.592 0.007 (0)
|
||||
FeHSO4+ 1.151e-13 9.036e-14 -12.939 -13.044 -0.105 (0)
|
||||
Fe(OH)3- 6.814e-17 5.380e-17 -16.167 -16.269 -0.103 (0)
|
||||
Fe(HS)2 2.820e-07 2.869e-07 -6.550 -6.542 0.007 (0)
|
||||
Fe+2 6.004e-08 2.465e-08 -7.222 -7.608 -0.387 -19.91
|
||||
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 (0)
|
||||
FeHCO3+ 1.176e-08 9.225e-09 -7.930 -8.035 -0.105 (0)
|
||||
Fe(HS)3- 4.549e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
|
||||
FeCO3 6.456e-10 6.567e-10 -9.190 -9.183 0.007 (0)
|
||||
FeCl+ 5.994e-10 4.703e-10 -9.222 -9.328 -0.105 (0)
|
||||
FeOH+ 4.985e-10 3.935e-10 -9.302 -9.405 -0.103 (0)
|
||||
Fe(OH)2 2.512e-13 2.555e-13 -12.600 -12.593 0.007 (0)
|
||||
FeHSO4+ 1.150e-13 9.027e-14 -12.939 -13.044 -0.105 (0)
|
||||
Fe(OH)3- 6.811e-17 5.377e-17 -16.167 -16.269 -0.103 (0)
|
||||
H(0) 1.182e-09
|
||||
H2 5.912e-10 6.013e-10 -9.228 -9.221 0.007 28.58
|
||||
H2 5.912e-10 6.014e-10 -9.228 -9.221 0.007 28.58
|
||||
K 2.540e-03
|
||||
K+ 2.393e-03 1.848e-03 -2.621 -2.733 -0.112 10.02
|
||||
KSO4- 1.473e-04 1.170e-04 -3.832 -3.932 -0.100 (0)
|
||||
KSO4- 1.472e-04 1.169e-04 -3.832 -3.932 -0.100 (0)
|
||||
Mg 4.540e-03
|
||||
MgSO4 2.380e-03 2.421e-03 -2.623 -2.616 0.007 6.77
|
||||
Mg+2 2.094e-03 8.664e-04 -2.679 -3.062 -0.383 -22.47
|
||||
MgHCO3+ 6.403e-05 4.976e-05 -4.194 -4.303 -0.109 6.11
|
||||
MgCO3 1.581e-06 1.608e-06 -5.801 -5.794 0.007 -17.09
|
||||
MgOH+ 3.332e-07 2.685e-07 -6.477 -6.571 -0.094 (0)
|
||||
MgSO4 2.378e-03 2.419e-03 -2.624 -2.616 0.007 6.77
|
||||
Mg+2 2.095e-03 8.661e-04 -2.679 -3.062 -0.384 -22.47
|
||||
MgHCO3+ 6.553e-05 5.092e-05 -4.184 -4.293 -0.110 6.11
|
||||
MgCO3 1.617e-06 1.645e-06 -5.791 -5.784 0.007 -17.09
|
||||
MgOH+ 3.331e-07 2.684e-07 -6.477 -6.571 -0.094 (0)
|
||||
Na 3.189e-02
|
||||
Na+ 3.074e-02 2.426e-02 -1.512 -1.615 -0.103 0.16
|
||||
NaSO4- 9.483e-04 7.531e-04 -3.023 -3.123 -0.100 17.89
|
||||
NaHCO3 2.029e-04 2.064e-04 -3.693 -3.685 0.007 19.41
|
||||
NaCO3- 1.692e-07 1.343e-07 -6.772 -6.872 -0.100 1.12
|
||||
NaOH 1.099e-18 1.118e-18 -17.959 -17.952 0.007 (0)
|
||||
Na+ 3.089e-02 2.437e-02 -1.510 -1.613 -0.103 0.16
|
||||
NaSO4- 9.526e-04 7.564e-04 -3.021 -3.121 -0.100 17.89
|
||||
NaHCO3 4.167e-05 4.238e-05 -4.380 -4.373 0.007 2.13
|
||||
NaCO3- 3.516e-06 2.759e-06 -5.454 -5.559 -0.105 0.80
|
||||
NaOH 1.104e-18 1.123e-18 -17.957 -17.950 0.007 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.070 -63.062 0.007 32.51
|
||||
S(-2) 2.600e-04
|
||||
HS- 1.483e-04 1.143e-04 -3.829 -3.942 -0.113 21.39
|
||||
H2S 1.111e-04 1.130e-04 -3.954 -3.947 0.007 37.26
|
||||
Fe(HS)2 2.822e-07 2.871e-07 -6.549 -6.542 0.007 (0)
|
||||
Fe(HS)3- 4.552e-09 3.572e-09 -8.342 -8.447 -0.105 (0)
|
||||
S-2 1.456e-09 5.657e-10 -8.837 -9.247 -0.411 (0)
|
||||
Fe(HS)2 2.820e-07 2.869e-07 -6.550 -6.542 0.007 (0)
|
||||
Fe(HS)3- 4.549e-09 3.569e-09 -8.342 -8.447 -0.105 (0)
|
||||
S-2 1.457e-09 5.656e-10 -8.837 -9.247 -0.411 (0)
|
||||
S(6) 1.986e-02
|
||||
SO4-2 1.296e-02 5.003e-03 -1.887 -2.301 -0.413 16.30
|
||||
CaSO4 3.422e-03 3.481e-03 -2.466 -2.458 0.007 8.42
|
||||
MgSO4 2.380e-03 2.421e-03 -2.623 -2.616 0.007 6.77
|
||||
NaSO4- 9.483e-04 7.531e-04 -3.023 -3.123 -0.100 17.89
|
||||
KSO4- 1.473e-04 1.170e-04 -3.832 -3.932 -0.100 (0)
|
||||
HSO4- 3.883e-07 3.047e-07 -6.411 -6.516 -0.105 41.70
|
||||
FeSO4 3.995e-08 4.064e-08 -7.398 -7.391 0.007 (0)
|
||||
CaHSO4+ 1.419e-08 1.113e-08 -7.848 -7.953 -0.105 (0)
|
||||
FeHSO4+ 1.151e-13 9.036e-14 -12.939 -13.044 -0.105 (0)
|
||||
SO4-2 1.296e-02 5.000e-03 -1.887 -2.301 -0.414 16.30
|
||||
CaSO4 3.418e-03 3.476e-03 -2.466 -2.459 0.007 8.42
|
||||
MgSO4 2.378e-03 2.419e-03 -2.624 -2.616 0.007 6.77
|
||||
NaSO4- 9.526e-04 7.564e-04 -3.021 -3.121 -0.100 17.89
|
||||
KSO4- 1.472e-04 1.169e-04 -3.832 -3.932 -0.100 (0)
|
||||
HSO4- 3.882e-07 3.046e-07 -6.411 -6.516 -0.105 41.70
|
||||
FeSO4 3.991e-08 4.059e-08 -7.399 -7.392 0.007 (0)
|
||||
CaHSO4+ 1.417e-08 1.112e-08 -7.849 -7.954 -0.105 (0)
|
||||
FeHSO4+ 1.150e-13 9.027e-14 -12.939 -13.044 -0.105 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(336 K, 1 atm)
|
||||
|
||||
Anhydrite -0.07 -4.82 -4.75 CaSO4
|
||||
Aragonite 0.19 -8.48 -8.67 CaCO3
|
||||
Calcite 0.31 -8.48 -8.79 CaCO3
|
||||
CH2O -14.60 -14.60 0.00 CH2O
|
||||
CO2(g) -0.97 -2.75 -1.79 CO2
|
||||
Dolomite 0.36 -17.51 -17.87 CaMg(CO3)2
|
||||
FeS(ppt) -1.02 -4.94 -3.92 FeS
|
||||
Aragonite 0.20 -8.47 -8.67 CaCO3
|
||||
Calcite 0.32 -8.47 -8.79 CaCO3
|
||||
CH2O -14.59 -14.59 0.00 CH2O
|
||||
CO2(g) -0.95 -2.74 -1.79 CO2
|
||||
Dolomite 0.38 -17.49 -17.87 CaMg(CO3)2
|
||||
FeS(ppt) -1.03 -4.94 -3.92 FeS
|
||||
Gypsum -0.15 -4.82 -4.67 CaSO4:2H2O
|
||||
H2(g) -6.08 -9.22 -3.14 H2
|
||||
H2O(g) -0.65 -0.00 0.65 H2O
|
||||
H2S(g) -2.62 -10.55 -7.94 H2S
|
||||
Halite -5.07 -3.47 1.59 NaCl
|
||||
Halite -5.07 -3.47 1.60 NaCl
|
||||
Mackinawite -0.29 -4.94 -4.65 FeS
|
||||
Melanterite -8.06 -9.91 -1.85 FeSO4:7H2O
|
||||
O2(g) -59.99 -63.06 -3.07 O2
|
||||
Pyrite 7.98 -9.57 -17.54 FeS2
|
||||
Siderite -2.48 -13.57 -11.10 FeCO3
|
||||
Siderite -2.47 -13.56 -11.10 FeCO3
|
||||
Sulfur -2.12 1.98 4.09 S
|
||||
Sylvite -4.59 -4.59 0.00 KCl
|
||||
|
||||
@ -400,7 +400,7 @@ Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 0.000e+00 = 6.610e+00
|
||||
Alkalinity 5.299e-03 + 0.000e+00 = 5.299e-03
|
||||
Alkalinity 5.262e-03 + 0.000e+00 = 5.262e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + 0.000e+00 = 6.870e-03
|
||||
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
|
||||
@ -410,7 +410,7 @@ Solution 2: Mysse
|
||||
H(0) 1.182e-09 + 0.000e+00 = 1.182e-09
|
||||
K 2.540e-03 + 0.000e+00 = 2.540e-03
|
||||
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
|
||||
Na 3.189e-02 + -1.216e-03 = 3.067e-02
|
||||
Na 3.189e-02 + -1.253e-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
|
||||
@ -423,8 +423,8 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 0 = 3
|
||||
13C Calcite -1.5 + 0 = -1.5
|
||||
34S Anhydrite 13.5 + -0.704733 = 12.7953
|
||||
13C CH2O -25 + 3.85425 = -21.1457
|
||||
34S Anhydrite 13.5 + -0.735135 = 12.7649
|
||||
13C CH2O -25 + 4.0781 = -20.9219
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
Solution fractions: Minimum Maximum
|
||||
@ -432,24 +432,24 @@ Solution fractions: Minimum Maximum
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum
|
||||
Dolomite 1.120e-02 1.022e-02 1.195e-02 CaMg(CO3)2
|
||||
Calcite -2.404e-02 -2.597e-02 -2.111e-02 CaCO3
|
||||
Anhydrite 2.292e-02 2.036e-02 2.377e-02 CaSO4
|
||||
CH2O 4.208e-03 2.467e-03 5.795e-03 CH2O
|
||||
Goethite 9.829e-04 5.106e-04 1.414e-03 FeOOH
|
||||
Pyrite -9.835e-04 -1.413e-03 -5.123e-04 FeS2
|
||||
MgX2 -7.672e-03 -8.598e-03 -6.972e-03 MgX2
|
||||
NaX 1.534e-02 1.394e-02 1.720e-02 NaX
|
||||
Dolomite 1.118e-02 1.022e-02 1.193e-02 CaMg(CO3)2
|
||||
Calcite -2.404e-02 -2.597e-02 -2.115e-02 CaCO3
|
||||
Anhydrite 2.294e-02 2.040e-02 2.380e-02 CaSO4
|
||||
CH2O 4.248e-03 2.509e-03 5.832e-03 CH2O
|
||||
Goethite 9.935e-04 5.217e-04 1.424e-03 FeOOH
|
||||
Pyrite -9.941e-04 -1.424e-03 -5.235e-04 FeS2
|
||||
MgX2 -7.654e-03 -8.578e-03 -6.972e-03 MgX2
|
||||
NaX 1.531e-02 1.394e-02 1.716e-02 NaX
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 9.829e-04
|
||||
Fe(3) 9.935e-04
|
||||
H(0) -1.182e-09
|
||||
S(-2) -2.227e-03
|
||||
S(-2) -2.248e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 2.303e+00
|
||||
Sum of delta/uncertainty limit: 4.414e+00
|
||||
Sum of residuals (epsilons in documentation): 2.327e+00
|
||||
Sum of delta/uncertainty limit: 4.497e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
@ -484,17 +484,17 @@ Solution 2: Mysse
|
||||
|
||||
Input Delta Input+Delta
|
||||
pH 6.610e+00 + 0.000e+00 = 6.610e+00
|
||||
Alkalinity 5.299e-03 + 0.000e+00 = 5.299e-03
|
||||
Alkalinity 5.262e-03 + 0.000e+00 = 5.262e-03
|
||||
C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
C(4) 6.870e-03 + -3.353e-04 = 6.535e-03
|
||||
Ca 1.128e-02 + 0.000e+00 = 1.128e-02
|
||||
C(4) 6.870e-03 + -3.435e-04 = 6.527e-03
|
||||
Ca 1.128e-02 + -1.219e-04 = 1.116e-02
|
||||
Cl 1.785e-02 + 0.000e+00 = 1.785e-02
|
||||
Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07
|
||||
Fe(3) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
H(0) 1.182e-09 + 0.000e+00 = 1.182e-09
|
||||
K 2.540e-03 + 0.000e+00 = 2.540e-03
|
||||
Mg 4.540e-03 + 0.000e+00 = 4.540e-03
|
||||
Na 3.189e-02 + -1.216e-03 = 3.067e-02
|
||||
Na 3.189e-02 + -1.009e-03 = 3.088e-02
|
||||
O(0) 0.000e+00 + 0.000e+00 = 0.000e+00
|
||||
S(-2) 2.600e-04 + 0.000e+00 = 2.600e-04
|
||||
S(6) 1.986e-02 + 9.930e-04 = 2.085e-02
|
||||
@ -507,7 +507,7 @@ Solution 2: Mysse
|
||||
Isotopic composition of phases:
|
||||
13C Dolomite 3 + 2 = 5
|
||||
13C Calcite -1.5 + -1 = -2.5
|
||||
34S Anhydrite 13.5 + -0.147137 = 13.3529
|
||||
34S Anhydrite 13.5 + -0.164666 = 13.3353
|
||||
13C CH2O -25 + 5 = -20
|
||||
34S Pyrite -22 + 2 = -20
|
||||
|
||||
@ -516,24 +516,24 @@ Solution fractions: Minimum Maximum
|
||||
Solution 2 1.000e+00 1.000e+00 1.000e+00
|
||||
|
||||
Phase mole transfers: Minimum Maximum
|
||||
Dolomite 5.448e-03 4.995e-03 5.843e-03 CaMg(CO3)2
|
||||
Calcite -1.215e-02 -1.336e-02 -1.065e-02 CaCO3
|
||||
Anhydrite 2.254e-02 2.036e-02 2.298e-02 CaSO4
|
||||
CH2O 3.489e-03 2.467e-03 4.303e-03 CH2O
|
||||
Goethite 7.913e-04 5.106e-04 1.016e-03 FeOOH
|
||||
Pyrite -7.919e-04 -1.016e-03 -5.123e-04 FeS2
|
||||
Ca.75Mg.25X2 -7.672e-03 -8.598e-03 -6.972e-03 Ca.75Mg.25X2
|
||||
NaX 1.534e-02 1.394e-02 1.720e-02 NaX
|
||||
Dolomite 5.474e-03 4.995e-03 5.839e-03 CaMg(CO3)2
|
||||
Calcite -1.223e-02 -1.337e-02 -1.069e-02 CaCO3
|
||||
Anhydrite 2.255e-02 2.040e-02 2.298e-02 CaSO4
|
||||
CH2O 3.512e-03 2.509e-03 4.299e-03 CH2O
|
||||
Goethite 7.972e-04 5.217e-04 1.015e-03 FeOOH
|
||||
Pyrite -7.978e-04 -1.015e-03 -5.235e-04 FeS2
|
||||
Ca.75Mg.25X2 -7.775e-03 -8.578e-03 -6.972e-03 Ca.75Mg.25X2
|
||||
NaX 1.555e-02 1.394e-02 1.716e-02 NaX
|
||||
Halite 1.531e-02 1.429e-02 1.633e-02 NaCl
|
||||
Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl
|
||||
|
||||
Redox mole transfers:
|
||||
Fe(3) 7.913e-04
|
||||
Fe(3) 7.972e-04
|
||||
H(0) -1.182e-09
|
||||
S(-2) -1.844e-03
|
||||
S(-2) -1.856e-03
|
||||
|
||||
Sum of residuals (epsilons in documentation): 3.290e+00
|
||||
Sum of delta/uncertainty limit: 7.340e+00
|
||||
Sum of residuals (epsilons in documentation): 3.401e+00
|
||||
Sum of delta/uncertainty limit: 7.460e+00
|
||||
Maximum fractional error in element concentration: 5.000e-02
|
||||
|
||||
Model contains minimum number of phases.
|
||||
@ -555,6 +555,6 @@ Reading input data for simulation 2.
|
||||
------------------------------------
|
||||
|
||||
------------------------------
|
||||
End of Run after 0.08 Seconds.
|
||||
End of Run after 0.07 Seconds.
|
||||
------------------------------
|
||||
|
||||
|
||||
92
ex21.out
92
ex21.out
@ -433,14 +433,14 @@ 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 (uS/cm, 23 oC) = 29877
|
||||
Specific Conductance (uS/cm, 23 oC) = 29881
|
||||
Density (g/cm3) = 1.01169
|
||||
Volume (L) = 0.20165
|
||||
Activity of water = 0.990
|
||||
Ionic strength = 3.657e-01
|
||||
Ionic strength = 3.658e-01
|
||||
Mass of water (kg) = 2.000e-01
|
||||
Total carbon (mol/kg) = 4.793e-04
|
||||
Total CO2 (mol/kg) = 4.793e-04
|
||||
Total carbon (mol/kg) = 4.787e-04
|
||||
Total CO2 (mol/kg) = 4.787e-04
|
||||
Temperature (deg C) = 23.00
|
||||
Electrical balance (eq) = -1.312e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.10
|
||||
@ -456,25 +456,25 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
|
||||
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) 4.793e-04
|
||||
HCO3- 3.229e-04 2.295e-04 -3.491 -3.639 -0.148 26.37
|
||||
NaHCO3 9.167e-05 9.972e-05 -4.038 -4.001 0.037 19.41
|
||||
CaHCO3+ 2.585e-05 1.871e-05 -4.588 -4.728 -0.140 9.84
|
||||
MgHCO3+ 1.824e-05 1.230e-05 -4.739 -4.910 -0.171 5.70
|
||||
CO2 1.235e-05 1.343e-05 -4.908 -4.872 0.037 30.80
|
||||
CaCO3 4.029e-06 4.383e-06 -5.395 -5.358 0.037 -14.61
|
||||
MgCO3 1.615e-06 1.757e-06 -5.792 -5.755 0.037 -17.09
|
||||
CO3-2 1.612e-06 4.110e-07 -5.793 -6.386 -0.593 -1.89
|
||||
SrHCO3+ 5.910e-07 4.200e-07 -6.228 -6.377 -0.148 (0)
|
||||
NaCO3- 4.415e-07 3.137e-07 -6.355 -6.503 -0.148 0.60
|
||||
SrCO3 2.913e-08 3.169e-08 -7.536 -7.499 0.037 -14.14
|
||||
C(4) 4.787e-04
|
||||
HCO3- 3.775e-04 2.682e-04 -3.423 -3.571 -0.148 25.98
|
||||
CaHCO3+ 3.021e-05 2.187e-05 -4.520 -4.660 -0.140 9.84
|
||||
NaHCO3 2.416e-05 2.628e-05 -4.617 -4.580 0.037 2.13
|
||||
MgHCO3+ 2.132e-05 1.437e-05 -4.671 -4.843 -0.171 5.70
|
||||
CO2 1.444e-05 1.570e-05 -4.841 -4.804 0.037 29.58
|
||||
CaCO3 4.709e-06 5.122e-06 -5.327 -5.291 0.037 -14.61
|
||||
NaCO3- 1.904e-06 1.393e-06 -5.720 -5.856 -0.136 1.37
|
||||
MgCO3 1.887e-06 2.053e-06 -5.724 -5.688 0.037 -17.09
|
||||
CO3-2 1.885e-06 4.805e-07 -5.725 -6.318 -0.594 -3.32
|
||||
SrHCO3+ 6.907e-07 4.908e-07 -6.161 -6.309 -0.148 (0)
|
||||
SrCO3 3.405e-08 3.704e-08 -7.468 -7.431 0.037 -14.14
|
||||
Ca 2.580e-02
|
||||
Ca+2 2.378e-02 6.598e-03 -1.624 -2.181 -0.557 -17.02
|
||||
Ca+2 2.377e-02 6.596e-03 -1.624 -2.181 -0.557 -17.02
|
||||
CaSO4 1.991e-03 2.166e-03 -2.701 -2.664 0.037 7.42
|
||||
CaHCO3+ 2.585e-05 1.871e-05 -4.588 -4.728 -0.140 9.84
|
||||
CaCO3 4.029e-06 4.383e-06 -5.395 -5.358 0.037 -14.61
|
||||
CaOH+ 5.899e-08 4.315e-08 -7.229 -7.365 -0.136 (0)
|
||||
CaHSO4+ 4.754e-10 3.477e-10 -9.323 -9.459 -0.136 (0)
|
||||
CaHCO3+ 3.021e-05 2.187e-05 -4.520 -4.660 -0.140 9.84
|
||||
CaCO3 4.709e-06 5.122e-06 -5.327 -5.291 0.037 -14.61
|
||||
CaOH+ 5.898e-08 4.314e-08 -7.229 -7.365 -0.136 (0)
|
||||
CaHSO4+ 4.752e-10 3.476e-10 -9.323 -9.459 -0.136 (0)
|
||||
Cl 3.000e-01
|
||||
Cl- 3.000e-01 2.017e-01 -0.523 -0.695 -0.172 18.53
|
||||
H(0) 0.000e+00
|
||||
@ -485,51 +485,51 @@ K 1.610e-03
|
||||
K+ 1.591e-03 1.061e-03 -2.798 -2.974 -0.176 9.40
|
||||
KSO4- 1.899e-05 1.349e-05 -4.722 -4.870 -0.148 (0)
|
||||
Mg 1.690e-02
|
||||
Mg+2 1.511e-02 4.618e-03 -1.821 -2.336 -0.515 -20.64
|
||||
MgSO4 1.771e-03 1.927e-03 -2.752 -2.715 0.037 5.76
|
||||
MgHCO3+ 1.824e-05 1.230e-05 -4.739 -4.910 -0.171 5.70
|
||||
MgCO3 1.615e-06 1.757e-06 -5.792 -5.755 0.037 -17.09
|
||||
MgOH+ 7.505e-07 5.510e-07 -6.125 -6.259 -0.134 (0)
|
||||
Mg+2 1.511e-02 4.617e-03 -1.821 -2.336 -0.515 -20.64
|
||||
MgSO4 1.771e-03 1.926e-03 -2.752 -2.715 0.037 5.76
|
||||
MgHCO3+ 2.132e-05 1.437e-05 -4.671 -4.843 -0.171 5.70
|
||||
MgCO3 1.887e-06 2.053e-06 -5.724 -5.688 0.037 -17.09
|
||||
MgOH+ 7.503e-07 5.508e-07 -6.125 -6.259 -0.134 (0)
|
||||
Na 2.400e-01
|
||||
Na+ 2.377e-01 1.722e-01 -0.624 -0.764 -0.140 -0.90
|
||||
NaSO4- 2.248e-03 1.597e-03 -2.648 -2.797 -0.148 21.10
|
||||
NaHCO3 9.167e-05 9.972e-05 -4.038 -4.001 0.037 19.41
|
||||
NaCO3- 4.415e-07 3.137e-07 -6.355 -6.503 -0.148 0.60
|
||||
NaOH 5.413e-18 5.889e-18 -17.267 -17.230 0.037 (0)
|
||||
Na+ 2.377e-01 1.723e-01 -0.624 -0.764 -0.140 -0.90
|
||||
NaSO4- 2.249e-03 1.598e-03 -2.648 -2.796 -0.148 21.10
|
||||
NaHCO3 2.416e-05 2.628e-05 -4.617 -4.580 0.037 2.13
|
||||
NaCO3- 1.904e-06 1.393e-06 -5.720 -5.856 -0.136 1.37
|
||||
NaOH 5.415e-18 5.890e-18 -17.266 -17.230 0.037 (0)
|
||||
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 8.029e-03 1.874e-03 -2.095 -2.727 -0.632 15.89
|
||||
NaSO4- 2.248e-03 1.597e-03 -2.648 -2.797 -0.148 21.10
|
||||
NaSO4- 2.249e-03 1.598e-03 -2.648 -2.796 -0.148 21.10
|
||||
CaSO4 1.991e-03 2.166e-03 -2.701 -2.664 0.037 7.42
|
||||
MgSO4 1.771e-03 1.927e-03 -2.752 -2.715 0.037 5.76
|
||||
SrSO4 4.204e-05 4.573e-05 -4.376 -4.340 0.037 24.16
|
||||
MgSO4 1.771e-03 1.926e-03 -2.752 -2.715 0.037 5.76
|
||||
SrSO4 4.203e-05 4.572e-05 -4.376 -4.340 0.037 24.16
|
||||
KSO4- 1.899e-05 1.349e-05 -4.722 -4.870 -0.148 (0)
|
||||
HSO4- 5.993e-09 4.384e-09 -8.222 -8.358 -0.136 40.64
|
||||
CaHSO4+ 4.754e-10 3.477e-10 -9.323 -9.459 -0.136 (0)
|
||||
CaHSO4+ 4.752e-10 3.476e-10 -9.323 -9.459 -0.136 (0)
|
||||
Sr 5.050e-04
|
||||
Sr+2 4.623e-04 1.281e-04 -3.335 -3.892 -0.557 -16.73
|
||||
SrSO4 4.204e-05 4.573e-05 -4.376 -4.340 0.037 24.16
|
||||
SrHCO3+ 5.910e-07 4.200e-07 -6.228 -6.377 -0.148 (0)
|
||||
SrCO3 2.913e-08 3.169e-08 -7.536 -7.499 0.037 -14.14
|
||||
SrOH+ 3.694e-10 2.590e-10 -9.432 -9.587 -0.154 (0)
|
||||
Sr+2 4.622e-04 1.281e-04 -3.335 -3.892 -0.557 -16.73
|
||||
SrSO4 4.203e-05 4.572e-05 -4.376 -4.340 0.037 24.16
|
||||
SrHCO3+ 6.907e-07 4.908e-07 -6.161 -6.309 -0.148 (0)
|
||||
SrCO3 3.405e-08 3.704e-08 -7.468 -7.431 0.037 -14.14
|
||||
SrOH+ 3.693e-10 2.589e-10 -9.433 -9.587 -0.154 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(296 K, 1 atm)
|
||||
|
||||
Anhydrite -0.65 -4.91 -4.26 CaSO4
|
||||
Aragonite -0.24 -8.57 -8.32 CaCO3
|
||||
Calcite -0.10 -8.57 -8.47 CaCO3
|
||||
Aragonite -0.18 -8.50 -8.32 CaCO3
|
||||
Calcite -0.03 -8.50 -8.47 CaCO3
|
||||
Celestite 0.03 -6.62 -6.65 SrSO4
|
||||
CO2(g) -3.43 -4.87 -1.44 CO2
|
||||
Dolomite -0.25 -17.29 -17.04 CaMg(CO3)2
|
||||
CO2(g) -3.37 -4.80 -1.44 CO2
|
||||
Dolomite -0.11 -17.15 -17.04 CaMg(CO3)2
|
||||
Gypsum -0.34 -4.92 -4.58 CaSO4:2H2O
|
||||
H2(g) -41.48 -44.58 -3.10 H2
|
||||
H2O(g) -1.56 -0.00 1.55 H2O
|
||||
Halite -3.03 -1.46 1.57 NaCl
|
||||
O2(g) -1.00 -3.88 -2.88 O2 Pressure 0.1 atm, phi 1.000.
|
||||
Strontianite -1.01 -10.28 -9.27 SrCO3
|
||||
Strontianite -0.94 -10.21 -9.27 SrCO3
|
||||
Sylvite -4.55 -3.67 0.88 KCl
|
||||
|
||||
|
||||
@ -957,6 +957,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
|
||||
END
|
||||
END
|
||||
-------------------------------
|
||||
End of Run after 23.34 Seconds.
|
||||
End of Run after 23.45 Seconds.
|
||||
-------------------------------
|
||||
|
||||
|
||||
576
ex3.out
576
ex3.out
@ -102,15 +102,15 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
CO2(g) -2.00 -3.46 -1.46 1.000e+01 9.998e+00 -1.993e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.657e-03
|
||||
CO2(g) -2.00 -3.46 -1.46 1.000e+01 9.998e+00 -1.991e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.655e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.650e-03 3.650e-03
|
||||
Ca 1.657e-03 1.657e-03
|
||||
C 3.646e-03 3.646e-03
|
||||
Ca 1.655e-03 1.655e-03
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
@ -120,42 +120,42 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.657e-03
|
||||
Density (g/cm3) = 0.99726
|
||||
Volume (L) = 1.00318
|
||||
Activity of water = 1.000
|
||||
Ionic strength = 4.858e-03
|
||||
Ionic strength = 4.853e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.313e-03
|
||||
Total CO2 (mol/kg) = 3.650e-03
|
||||
Total alkalinity (eq/kg) = 3.310e-03
|
||||
Total CO2 (mol/kg) = 3.646e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = -1.217e-09
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00
|
||||
Iterations = 17
|
||||
Total H = 1.110124e+02
|
||||
Total O = 5.551517e+01
|
||||
Total O = 5.551516e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 2.137e-07 1.981e-07 -6.670 -6.703 -0.033 -4.07
|
||||
H+ 5.467e-08 5.109e-08 -7.262 -7.292 -0.029 0.00
|
||||
OH- 2.141e-07 1.985e-07 -6.669 -6.702 -0.033 -4.07
|
||||
H+ 5.457e-08 5.100e-08 -7.263 -7.292 -0.029 0.00
|
||||
H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07
|
||||
C(-4) 1.423e-25
|
||||
CH4 1.423e-25 1.425e-25 -24.847 -24.846 0.000 32.22
|
||||
C(4) 3.650e-03
|
||||
HCO3- 3.245e-03 3.017e-03 -2.489 -2.520 -0.032 24.64
|
||||
CO2 3.462e-04 3.466e-04 -3.461 -3.460 0.000 30.26
|
||||
CaHCO3+ 4.947e-05 4.604e-05 -4.306 -4.337 -0.031 9.70
|
||||
C(-4) 1.416e-25
|
||||
CH4 1.416e-25 1.417e-25 -24.849 -24.849 0.000 32.22
|
||||
C(4) 3.646e-03
|
||||
HCO3- 3.242e-03 3.014e-03 -2.489 -2.521 -0.032 24.76
|
||||
CO2 3.452e-04 3.456e-04 -3.462 -3.461 0.000 29.09
|
||||
CaHCO3+ 4.938e-05 4.596e-05 -4.306 -4.338 -0.031 9.70
|
||||
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CO3-2 3.707e-06 2.770e-06 -5.431 -5.558 -0.127 -4.22
|
||||
Ca 1.657e-03
|
||||
Ca+2 1.602e-03 1.196e-03 -2.795 -2.922 -0.127 -18.02
|
||||
CaHCO3+ 4.947e-05 4.604e-05 -4.306 -4.337 -0.031 9.70
|
||||
CO3-2 3.709e-06 2.772e-06 -5.431 -5.557 -0.126 -5.36
|
||||
Ca 1.655e-03
|
||||
Ca+2 1.600e-03 1.195e-03 -2.796 -2.923 -0.127 -18.02
|
||||
CaHCO3+ 4.938e-05 4.596e-05 -4.306 -4.338 -0.031 9.70
|
||||
CaCO3 5.559e-06 5.565e-06 -5.255 -5.255 0.000 -14.60
|
||||
CaOH+ 4.187e-09 3.885e-09 -8.378 -8.411 -0.032 (0)
|
||||
H(0) 5.087e-15
|
||||
H2 2.543e-15 2.546e-15 -14.595 -14.594 0.000 28.61
|
||||
CaOH+ 4.191e-09 3.889e-09 -8.378 -8.410 -0.032 (0)
|
||||
H(0) 5.083e-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 -63.192 0.000 30.40
|
||||
O2 0.000e+00 0.000e+00 -63.192 -63.191 0.000 30.40
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
@ -163,7 +163,7 @@ O(0) 0.000e+00
|
||||
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -22.00 -24.85 -2.84 CH4
|
||||
CH4(g) -22.01 -24.85 -2.84 CH4
|
||||
CO2(g) -2.00 -3.46 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
H2(g) -11.49 -14.59 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -223,20 +223,20 @@ Initial solution 2. Seawater
|
||||
|
||||
pH = 8.220
|
||||
pe = 8.451
|
||||
Specific Conductance (uS/cm, 25 oC) = 53257
|
||||
Specific Conductance (uS/cm, 25 oC) = 53275
|
||||
Density (g/cm3) = 1.02327
|
||||
Volume (L) = 1.01472
|
||||
Volume (L) = 1.01471
|
||||
Activity of water = 0.981
|
||||
Ionic strength = 6.745e-01
|
||||
Ionic strength = 6.747e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total carbon (mol/kg) = 2.257e-03
|
||||
Total CO2 (mol/kg) = 2.257e-03
|
||||
Total carbon (mol/kg) = 2.182e-03
|
||||
Total CO2 (mol/kg) = 2.182e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 7.967e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07
|
||||
Iterations = 7
|
||||
Total H = 1.110148e+02
|
||||
Total O = 5.563032e+01
|
||||
Total H = 1.110147e+02
|
||||
Total O = 5.563009e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
@ -244,70 +244,70 @@ Initial solution 2. Seawater
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
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
|
||||
H+ 7.984e-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) 2.257e-03
|
||||
HCO3- 1.238e-03 8.360e-04 -2.907 -3.078 -0.170 27.87
|
||||
NaHCO3 6.169e-04 7.205e-04 -3.210 -3.142 0.067 19.41
|
||||
MgHCO3+ 2.137e-04 1.344e-04 -3.670 -3.872 -0.201 5.82
|
||||
MgCO3 7.301e-05 8.528e-05 -4.137 -4.069 0.067 -17.09
|
||||
CaHCO3+ 3.717e-05 2.572e-05 -4.430 -4.590 -0.160 9.96
|
||||
CO3-2 3.128e-05 6.506e-06 -4.505 -5.187 -0.682 -0.33
|
||||
CaCO3 2.257e-05 2.636e-05 -4.647 -4.579 0.067 -14.60
|
||||
NaCO3- 1.477e-05 9.972e-06 -4.831 -5.001 -0.170 1.78
|
||||
CO2 9.888e-06 1.155e-05 -5.005 -4.937 0.067 30.26
|
||||
C(4) 2.182e-03
|
||||
HCO3- 1.485e-03 1.003e-03 -2.828 -2.999 -0.171 27.06
|
||||
MgHCO3+ 2.560e-04 1.610e-04 -3.592 -3.793 -0.201 5.82
|
||||
NaHCO3 1.658e-04 1.936e-04 -3.780 -3.713 0.067 2.13
|
||||
MgCO3 8.748e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
|
||||
NaCO3- 6.682e-05 4.991e-05 -4.175 -4.302 -0.127 3.18
|
||||
CaHCO3+ 4.454e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
|
||||
CO3-2 3.753e-05 7.804e-06 -4.426 -5.108 -0.682 -2.23
|
||||
CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
|
||||
CO2 1.186e-05 1.385e-05 -4.926 -4.858 0.067 29.09
|
||||
Ca 1.066e-02
|
||||
Ca+2 9.645e-03 2.412e-03 -2.016 -2.618 -0.602 -16.69
|
||||
CaSO4 9.560e-04 1.117e-03 -3.020 -2.952 0.067 7.50
|
||||
CaHCO3+ 3.717e-05 2.572e-05 -4.430 -4.590 -0.160 9.96
|
||||
CaCO3 2.257e-05 2.636e-05 -4.647 -4.579 0.067 -14.60
|
||||
CaOH+ 8.721e-08 6.513e-08 -7.059 -7.186 -0.127 (0)
|
||||
CaHSO4+ 5.922e-11 4.422e-11 -10.228 -10.354 -0.127 (0)
|
||||
Ca+2 9.634e-03 2.409e-03 -2.016 -2.618 -0.602 -16.69
|
||||
CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
|
||||
CaHCO3+ 4.454e-05 3.081e-05 -4.351 -4.511 -0.160 9.96
|
||||
CaCO3 2.703e-05 3.158e-05 -4.568 -4.501 0.067 -14.60
|
||||
CaOH+ 8.711e-08 6.505e-08 -7.060 -7.187 -0.127 (0)
|
||||
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
|
||||
Cl 5.657e-01
|
||||
Cl- 5.657e-01 3.568e-01 -0.247 -0.448 -0.200 18.79
|
||||
H(0) 5.515e-37
|
||||
H2 2.758e-37 3.221e-37 -36.559 -36.492 0.067 28.61
|
||||
K 1.058e-02
|
||||
K+ 1.040e-02 6.483e-03 -1.983 -2.188 -0.205 9.66
|
||||
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.170 (0)
|
||||
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 (0)
|
||||
Mg 5.507e-02
|
||||
Mg+2 4.759e-02 1.374e-02 -1.322 -1.862 -0.540 -20.41
|
||||
MgSO4 7.178e-03 8.384e-03 -2.144 -2.077 0.067 5.84
|
||||
MgHCO3+ 2.137e-04 1.344e-04 -3.670 -3.872 -0.201 5.82
|
||||
MgCO3 7.301e-05 8.528e-05 -4.137 -4.069 0.067 -17.09
|
||||
MgOH+ 1.152e-05 8.116e-06 -4.939 -5.091 -0.152 (0)
|
||||
Mg+2 4.754e-02 1.372e-02 -1.323 -1.863 -0.540 -20.41
|
||||
MgSO4 7.170e-03 8.375e-03 -2.144 -2.077 0.067 5.84
|
||||
MgHCO3+ 2.560e-04 1.610e-04 -3.592 -3.793 -0.201 5.82
|
||||
MgCO3 8.748e-05 1.022e-04 -4.058 -3.991 0.067 -17.09
|
||||
MgOH+ 1.151e-05 8.107e-06 -4.939 -5.091 -0.152 (0)
|
||||
Na 4.854e-01
|
||||
Na+ 4.781e-01 3.431e-01 -0.320 -0.465 -0.144 -0.58
|
||||
NaSO4- 6.631e-03 4.478e-03 -2.178 -2.349 -0.170 22.62
|
||||
NaHCO3 6.169e-04 7.205e-04 -3.210 -3.142 0.067 19.41
|
||||
NaCO3- 1.477e-05 9.972e-06 -4.831 -5.001 -0.170 1.78
|
||||
NaOH 4.839e-17 5.652e-17 -16.315 -16.248 0.067 (0)
|
||||
Na+ 4.785e-01 3.434e-01 -0.320 -0.464 -0.144 -0.58
|
||||
NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 22.63
|
||||
NaHCO3 1.658e-04 1.936e-04 -3.780 -3.713 0.067 2.13
|
||||
NaCO3- 6.682e-05 4.991e-05 -4.175 -4.302 -0.127 3.18
|
||||
NaOH 4.843e-17 5.657e-17 -16.315 -16.247 0.067 (0)
|
||||
O(0) 6.615e-20
|
||||
O2 3.308e-20 3.863e-20 -19.480 -19.413 0.067 30.40
|
||||
O2 3.307e-20 3.863e-20 -19.481 -19.413 0.067 30.40
|
||||
S(6) 2.926e-02
|
||||
SO4-2 1.432e-02 2.604e-03 -1.844 -2.584 -0.740 16.99
|
||||
MgSO4 7.178e-03 8.384e-03 -2.144 -2.077 0.067 5.84
|
||||
NaSO4- 6.631e-03 4.478e-03 -2.178 -2.349 -0.170 22.62
|
||||
CaSO4 9.560e-04 1.117e-03 -3.020 -2.952 0.067 7.50
|
||||
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.170 (0)
|
||||
MgSO4 7.170e-03 8.375e-03 -2.144 -2.077 0.067 5.84
|
||||
NaSO4- 6.637e-03 4.482e-03 -2.178 -2.349 -0.171 22.63
|
||||
CaSO4 9.548e-04 1.115e-03 -3.020 -2.953 0.067 7.50
|
||||
KSO4- 1.756e-04 1.186e-04 -3.755 -3.926 -0.171 (0)
|
||||
HSO4- 2.042e-09 1.525e-09 -8.690 -8.817 -0.127 40.96
|
||||
CaHSO4+ 5.922e-11 4.422e-11 -10.228 -10.354 -0.127 (0)
|
||||
CaHSO4+ 5.915e-11 4.418e-11 -10.228 -10.355 -0.127 (0)
|
||||
Si 7.382e-05
|
||||
H4SiO4 7.061e-05 8.248e-05 -4.151 -4.084 0.067 52.08
|
||||
H3SiO4- 3.210e-06 2.018e-06 -5.494 -5.695 -0.201 28.72
|
||||
H2SiO4-2 1.095e-10 2.278e-11 -9.960 -10.642 -0.682 (0)
|
||||
H2SiO4-2 1.096e-10 2.279e-11 -9.960 -10.642 -0.682 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.92 -5.20 -4.28 CaSO4
|
||||
Aragonite 0.53 -7.80 -8.34 CaCO3
|
||||
Calcite 0.68 -7.80 -8.48 CaCO3
|
||||
Anhydrite -0.93 -5.20 -4.28 CaSO4
|
||||
Aragonite 0.61 -7.73 -8.34 CaCO3
|
||||
Calcite 0.75 -7.73 -8.48 CaCO3
|
||||
Chalcedony -0.52 -4.07 -3.55 SiO2
|
||||
Chrysotile 3.36 35.56 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -3.48 -4.94 -1.46 CO2
|
||||
Dolomite 2.24 -14.85 -17.09 CaMg(CO3)2
|
||||
CO2(g) -3.40 -4.86 -1.46 CO2
|
||||
Dolomite 2.39 -14.70 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O
|
||||
H2(g) -33.39 -36.49 -3.10 H2
|
||||
H2O(g) -1.51 -0.01 1.50 H2O
|
||||
@ -358,8 +358,8 @@ Mixture 1.
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.232e-03 3.232e-03
|
||||
Ca 4.358e-03 4.358e-03
|
||||
C 3.207e-03 3.206e-03
|
||||
Ca 4.357e-03 4.357e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 1.652e-02 1.652e-02
|
||||
@ -369,113 +369,113 @@ Mixture 1.
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.263 Charge balance
|
||||
pe = -1.689 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18711
|
||||
pH = 7.343 Charge balance
|
||||
pe = -1.828 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18734
|
||||
Density (g/cm3) = 1.00526
|
||||
Volume (L) = 1.00651
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.085e-01
|
||||
Ionic strength = 2.088e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.041e-03
|
||||
Total CO2 (mol/kg) = 3.232e-03
|
||||
Total alkalinity (eq/kg) = 3.039e-03
|
||||
Total CO2 (mol/kg) = 3.207e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 15
|
||||
Total H = 1.110132e+02
|
||||
Total O = 5.554972e+01
|
||||
Iterations = 12
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554964e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 2.622e-07 1.845e-07 -6.581 -6.734 -0.153 -3.48
|
||||
H+ 6.852e-08 5.454e-08 -7.164 -7.263 -0.099 0.00
|
||||
OH- 3.151e-07 2.216e-07 -6.502 -6.654 -0.153 -3.48
|
||||
H+ 5.704e-08 4.540e-08 -7.244 -7.343 -0.099 0.00
|
||||
H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07
|
||||
C(-4) 1.307e-24
|
||||
CH4 1.307e-24 1.372e-24 -23.884 -23.863 0.021 32.22
|
||||
C(4) 3.232e-03
|
||||
HCO3- 2.374e-03 1.765e-03 -2.625 -2.753 -0.129 25.77
|
||||
NaHCO3 4.539e-04 4.762e-04 -3.343 -3.322 0.021 19.41
|
||||
CO2 2.075e-04 2.177e-04 -3.683 -3.662 0.021 30.26
|
||||
MgHCO3+ 1.434e-04 1.025e-04 -3.844 -3.989 -0.146 5.72
|
||||
CaHCO3+ 3.774e-05 2.846e-05 -4.423 -4.546 -0.123 9.88
|
||||
MgCO3 6.854e-06 7.191e-06 -5.164 -5.143 0.021 -17.09
|
||||
CO3-2 4.964e-06 1.518e-06 -5.304 -5.819 -0.515 -2.44
|
||||
CaCO3 3.071e-06 3.222e-06 -5.513 -5.492 0.021 -14.60
|
||||
NaCO3- 9.793e-07 7.282e-07 -6.009 -6.138 -0.129 0.26
|
||||
Ca 4.358e-03
|
||||
Ca+2 3.978e-03 1.264e-03 -2.400 -2.898 -0.498 -17.20
|
||||
CaSO4 3.393e-04 3.560e-04 -3.469 -3.449 0.021 7.50
|
||||
CaHCO3+ 3.774e-05 2.846e-05 -4.423 -4.546 -0.123 9.88
|
||||
CaCO3 3.071e-06 3.222e-06 -5.513 -5.492 0.021 -14.60
|
||||
CaOH+ 5.133e-09 3.823e-09 -8.290 -8.418 -0.128 (0)
|
||||
CaHSO4+ 1.714e-10 1.276e-10 -9.766 -9.894 -0.128 (0)
|
||||
C(-4) 3.683e-24
|
||||
CH4 3.683e-24 3.864e-24 -23.434 -23.413 0.021 32.22
|
||||
C(4) 3.207e-03
|
||||
HCO3- 2.669e-03 1.984e-03 -2.574 -2.702 -0.129 25.61
|
||||
CO2 1.942e-04 2.038e-04 -3.712 -3.691 0.021 29.09
|
||||
MgHCO3+ 1.610e-04 1.151e-04 -3.793 -3.939 -0.146 5.72
|
||||
NaHCO3 1.145e-04 1.201e-04 -3.941 -3.920 0.021 2.13
|
||||
CaHCO3+ 4.236e-05 3.194e-05 -4.373 -4.496 -0.123 9.88
|
||||
MgCO3 9.243e-06 9.698e-06 -5.034 -5.013 0.021 -17.09
|
||||
CO3-2 6.708e-06 2.050e-06 -5.173 -5.688 -0.515 -3.81
|
||||
NaCO3- 5.517e-06 4.109e-06 -5.258 -5.386 -0.128 0.73
|
||||
CaCO3 4.140e-06 4.344e-06 -5.383 -5.362 0.021 -14.60
|
||||
Ca 4.357e-03
|
||||
Ca+2 3.972e-03 1.262e-03 -2.401 -2.899 -0.498 -17.20
|
||||
CaSO4 3.386e-04 3.553e-04 -3.470 -3.449 0.021 7.50
|
||||
CaHCO3+ 4.236e-05 3.194e-05 -4.373 -4.496 -0.123 9.88
|
||||
CaCO3 4.140e-06 4.344e-06 -5.383 -5.362 0.021 -14.60
|
||||
CaOH+ 6.156e-09 4.584e-09 -8.211 -8.339 -0.128 (0)
|
||||
CaHSO4+ 1.424e-10 1.060e-10 -9.847 -9.975 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 9.576e-15
|
||||
H2 4.788e-15 5.023e-15 -14.320 -14.299 0.021 28.61
|
||||
H(0) 1.261e-14
|
||||
H2 6.306e-15 6.616e-15 -14.200 -14.179 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.330e-05 2.477e-05 -4.477 -4.606 -0.129 (0)
|
||||
KSO4- 3.330e-05 2.476e-05 -4.478 -4.606 -0.129 (0)
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.461e-02 4.966e-03 -1.835 -2.304 -0.469 -20.91
|
||||
MgSO4 1.757e-03 1.844e-03 -2.755 -2.734 0.021 5.84
|
||||
MgHCO3+ 1.434e-04 1.025e-04 -3.844 -3.989 -0.146 5.72
|
||||
MgCO3 6.854e-06 7.191e-06 -5.164 -5.143 0.021 -17.09
|
||||
MgOH+ 4.311e-07 3.286e-07 -6.365 -6.483 -0.118 (0)
|
||||
Mg+2 1.460e-02 4.958e-03 -1.836 -2.305 -0.469 -20.91
|
||||
MgSO4 1.754e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
MgHCO3+ 1.610e-04 1.151e-04 -3.793 -3.939 -0.146 5.72
|
||||
MgCO3 9.243e-06 9.698e-06 -5.034 -5.013 0.021 -17.09
|
||||
MgOH+ 5.172e-07 3.942e-07 -6.286 -6.404 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.440e-01 1.074e-01 -0.842 -0.969 -0.127 -0.95
|
||||
NaSO4- 1.147e-03 8.527e-04 -2.941 -3.069 -0.129 20.22
|
||||
NaHCO3 4.539e-04 4.762e-04 -3.343 -3.322 0.021 19.41
|
||||
NaCO3- 9.793e-07 7.282e-07 -6.009 -6.138 -0.129 0.26
|
||||
NaOH 1.889e-18 1.982e-18 -17.724 -17.703 0.021 (0)
|
||||
Na+ 1.444e-01 1.077e-01 -0.841 -0.968 -0.127 -0.95
|
||||
NaSO4- 1.149e-03 8.544e-04 -2.940 -3.068 -0.129 20.22
|
||||
NaHCO3 1.145e-04 1.201e-04 -3.941 -3.920 0.021 2.13
|
||||
NaCO3- 5.517e-06 4.109e-06 -5.258 -5.386 -0.128 0.73
|
||||
NaOH 2.274e-18 2.386e-18 -17.643 -17.622 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -63.808 -63.787 0.021 30.40
|
||||
S(-2) 1.879e-21
|
||||
HS- 1.424e-21 1.002e-21 -20.847 -20.999 -0.153 21.00
|
||||
H2S 4.553e-22 4.777e-22 -21.342 -21.321 0.021 37.16
|
||||
S-2 7.556e-27 2.218e-27 -26.122 -26.654 -0.532 (0)
|
||||
O2 0.000e+00 0.000e+00 -64.047 -64.026 0.021 30.40
|
||||
S(-2) 4.516e-21
|
||||
HS- 3.567e-21 2.509e-21 -20.448 -20.600 -0.153 21.00
|
||||
H2S 9.492e-22 9.960e-22 -21.023 -21.002 0.021 37.16
|
||||
S-2 2.275e-26 6.675e-27 -25.643 -26.176 -0.533 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.501e-03 1.584e-03 -2.260 -2.800 -0.541 15.62
|
||||
MgSO4 1.757e-03 1.844e-03 -2.755 -2.734 0.021 5.84
|
||||
NaSO4- 1.147e-03 8.527e-04 -2.941 -3.069 -0.129 20.22
|
||||
CaSO4 3.393e-04 3.560e-04 -3.469 -3.449 0.021 7.50
|
||||
KSO4- 3.330e-05 2.477e-05 -4.477 -4.606 -0.129 (0)
|
||||
HSO4- 1.128e-08 8.399e-09 -7.948 -8.076 -0.128 40.66
|
||||
CaHSO4+ 1.714e-10 1.276e-10 -9.766 -9.894 -0.128 (0)
|
||||
SO4-2 5.502e-03 1.584e-03 -2.259 -2.800 -0.541 15.62
|
||||
MgSO4 1.754e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
NaSO4- 1.149e-03 8.544e-04 -2.940 -3.068 -0.129 20.22
|
||||
CaSO4 3.386e-04 3.553e-04 -3.470 -3.449 0.021 7.50
|
||||
KSO4- 3.330e-05 2.476e-05 -4.478 -4.606 -0.129 (0)
|
||||
HSO4- 9.386e-09 6.990e-09 -8.028 -8.156 -0.128 40.66
|
||||
CaHSO4+ 1.424e-10 1.060e-10 -9.847 -9.975 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.206e-05 2.314e-05 -4.656 -4.636 0.021 52.08
|
||||
H3SiO4- 8.749e-08 6.257e-08 -7.058 -7.204 -0.146 28.37
|
||||
H2SiO4-2 2.553e-13 7.804e-14 -12.593 -13.108 -0.515 (0)
|
||||
H4SiO4 2.204e-05 2.313e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.050e-07 7.511e-08 -6.979 -7.124 -0.146 28.38
|
||||
H2SiO4-2 3.683e-13 1.125e-13 -12.434 -12.949 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.42 -5.70 -4.28 CaSO4
|
||||
Aragonite -0.38 -8.72 -8.34 CaCO3
|
||||
Calcite -0.24 -8.72 -8.48 CaCO3
|
||||
CH4(g) -21.02 -23.86 -2.84 CH4
|
||||
Aragonite -0.25 -8.59 -8.34 CaCO3
|
||||
Calcite -0.11 -8.59 -8.48 CaCO3
|
||||
CH4(g) -20.57 -23.41 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -4.81 27.39 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.20 -3.66 -1.46 CO2
|
||||
Dolomite 0.25 -16.84 -17.09 CaMg(CO3)2
|
||||
Chrysotile -4.33 27.87 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.23 -3.69 -1.46 CO2
|
||||
Dolomite 0.51 -16.58 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -11.20 -14.30 -3.10 H2
|
||||
H2(g) -11.08 -14.18 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -20.27 -28.26 -7.99 H2S
|
||||
H2S(g) -19.95 -27.94 -7.99 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -60.89 -63.79 -2.89 O2
|
||||
O2(g) -61.13 -64.03 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -5.22 10.54 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -8.12 10.54 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -4.90 10.86 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.80 10.86 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -15.05 -10.17 4.88 S
|
||||
Sulfur -14.85 -9.97 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -3.26 18.14 21.40 Mg3Si4O10(OH)2
|
||||
Talc -2.79 18.61 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
|
||||
------------------
|
||||
@ -512,131 +512,131 @@ Using pure phase assemblage 1.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.561e-02
|
||||
Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.853e-03
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.560e-02
|
||||
Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.881e-03
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.139e-03 3.139e-03
|
||||
Ca 1.212e-02 1.212e-02
|
||||
C 3.046e-03 3.046e-03
|
||||
Ca 1.208e-02 1.208e-02
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 8.667e-03 8.667e-03
|
||||
Mg 8.639e-03 8.639e-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 = 7.083 Charge balance
|
||||
pe = 10.853 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18770
|
||||
Density (g/cm3) = 1.00534
|
||||
Volume (L) = 1.00654
|
||||
pH = 7.053 Charge balance
|
||||
pe = -1.710 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18785
|
||||
Density (g/cm3) = 1.00533
|
||||
Volume (L) = 1.00653
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.090e-01
|
||||
Ionic strength = 2.091e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 2.855e-03
|
||||
Total CO2 (mol/kg) = 3.139e-03
|
||||
Total alkalinity (eq/kg) = 2.718e-03
|
||||
Total CO2 (mol/kg) = 3.046e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 14
|
||||
Total H = 1.110132e+02
|
||||
Total O = 5.554944e+01
|
||||
Iterations = 5
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554916e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 1.733e-07 1.219e-07 -6.761 -6.914 -0.153 -3.48
|
||||
H+ 1.037e-07 8.253e-08 -6.984 -7.083 -0.099 0.00
|
||||
OH- 1.616e-07 1.137e-07 -6.791 -6.944 -0.153 -3.48
|
||||
H+ 1.112e-07 8.850e-08 -6.954 -7.053 -0.099 0.00
|
||||
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 -122.621 -122.600 0.021 32.22
|
||||
C(4) 3.139e-03
|
||||
HCO3- 2.235e-03 1.662e-03 -2.651 -2.779 -0.129 25.77
|
||||
NaHCO3 4.273e-04 4.483e-04 -3.369 -3.348 0.021 19.41
|
||||
CO2 2.956e-04 3.102e-04 -3.529 -3.508 0.021 30.26
|
||||
CaHCO3+ 9.865e-05 7.438e-05 -4.006 -4.129 -0.123 9.88
|
||||
MgHCO3+ 7.066e-05 5.053e-05 -4.151 -4.296 -0.146 5.72
|
||||
C(-4) 1.540e-22
|
||||
CH4 1.540e-22 1.616e-22 -21.812 -21.792 0.021 32.22
|
||||
C(4) 3.046e-03
|
||||
HCO3- 2.407e-03 1.789e-03 -2.619 -2.747 -0.129 25.61
|
||||
CO2 3.413e-04 3.582e-04 -3.467 -3.446 0.021 29.09
|
||||
CaHCO3+ 1.058e-04 7.976e-05 -3.976 -4.098 -0.123 9.88
|
||||
NaHCO3 1.032e-04 1.083e-04 -3.986 -3.965 0.021 2.13
|
||||
MgHCO3+ 7.578e-05 5.418e-05 -4.120 -4.266 -0.146 5.72
|
||||
CaCO3 5.303e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CO3-2 3.091e-06 9.443e-07 -5.510 -6.025 -0.515 -2.44
|
||||
CO3-2 3.104e-06 9.482e-07 -5.508 -6.023 -0.515 -3.81
|
||||
NaCO3- 2.552e-06 1.900e-06 -5.593 -5.721 -0.128 0.73
|
||||
MgCO3 2.231e-06 2.341e-06 -5.651 -5.631 0.021 -17.09
|
||||
NaCO3- 6.093e-07 4.530e-07 -6.215 -6.344 -0.129 0.26
|
||||
Ca 1.212e-02
|
||||
Ca+2 1.105e-02 3.508e-03 -1.957 -2.455 -0.498 -17.20
|
||||
CaSO4 9.671e-04 1.015e-03 -3.015 -2.994 0.021 7.50
|
||||
CaHCO3+ 9.865e-05 7.438e-05 -4.006 -4.129 -0.123 9.88
|
||||
Ca 1.208e-02
|
||||
Ca+2 1.100e-02 3.494e-03 -1.958 -2.457 -0.498 -17.19
|
||||
CaSO4 9.636e-04 1.011e-03 -3.016 -2.995 0.021 7.50
|
||||
CaHCO3+ 1.058e-04 7.976e-05 -3.976 -4.098 -0.123 9.88
|
||||
CaCO3 5.303e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 9.416e-09 7.012e-09 -8.026 -8.154 -0.128 (0)
|
||||
CaHSO4+ 7.393e-10 5.505e-10 -9.131 -9.259 -0.128 (0)
|
||||
CaOH+ 8.745e-09 6.512e-09 -8.058 -8.186 -0.128 (0)
|
||||
CaHSO4+ 7.899e-10 5.882e-10 -9.102 -9.230 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 1.813e-39
|
||||
H2 9.063e-40 9.510e-40 -39.043 -39.022 0.021 28.61
|
||||
H(0) 2.785e-14
|
||||
H2 1.393e-14 1.461e-14 -13.856 -13.835 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.139e-03 2.224e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.419e-05 2.542e-05 -4.466 -4.595 -0.129 (0)
|
||||
Mg 8.667e-03
|
||||
Mg+2 7.650e-03 2.598e-03 -2.116 -2.585 -0.469 -20.91
|
||||
MgSO4 9.444e-04 9.909e-04 -3.025 -3.004 0.021 5.84
|
||||
MgHCO3+ 7.066e-05 5.053e-05 -4.151 -4.296 -0.146 5.72
|
||||
KSO4- 3.421e-05 2.543e-05 -4.466 -4.595 -0.129 (0)
|
||||
Mg 8.639e-03
|
||||
Mg+2 7.620e-03 2.588e-03 -2.118 -2.587 -0.469 -20.91
|
||||
MgSO4 9.410e-04 9.874e-04 -3.026 -3.006 0.021 5.84
|
||||
MgHCO3+ 7.578e-05 5.418e-05 -4.120 -4.266 -0.146 5.72
|
||||
MgCO3 2.231e-06 2.341e-06 -5.651 -5.631 0.021 -17.09
|
||||
MgOH+ 1.491e-07 1.136e-07 -6.827 -6.944 -0.118 (0)
|
||||
MgOH+ 1.385e-07 1.055e-07 -6.859 -6.977 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.440e-01 1.074e-01 -0.842 -0.969 -0.127 -0.95
|
||||
NaSO4- 1.178e-03 8.756e-04 -2.929 -3.058 -0.129 20.22
|
||||
NaHCO3 4.273e-04 4.483e-04 -3.369 -3.348 0.021 19.41
|
||||
NaCO3- 6.093e-07 4.530e-07 -6.215 -6.344 -0.129 0.26
|
||||
NaOH 1.248e-18 1.309e-18 -17.904 -17.883 0.021 (0)
|
||||
O(0) 8.682e-15
|
||||
O2 4.341e-15 4.555e-15 -14.362 -14.342 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.546 -119.699 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -119.862 -119.841 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -125.001 -125.534 -0.533 (0)
|
||||
Na+ 1.443e-01 1.076e-01 -0.841 -0.968 -0.127 -0.95
|
||||
NaSO4- 1.181e-03 8.780e-04 -2.928 -3.057 -0.129 20.22
|
||||
NaHCO3 1.032e-04 1.083e-04 -3.986 -3.965 0.021 2.13
|
||||
NaCO3- 2.552e-06 1.900e-06 -5.593 -5.721 -0.128 0.73
|
||||
NaOH 1.166e-18 1.224e-18 -17.933 -17.912 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -64.736 -64.715 0.021 30.40
|
||||
S(-2) 2.582e-19
|
||||
HS- 1.700e-19 1.196e-19 -18.769 -18.922 -0.153 21.00
|
||||
H2S 8.819e-20 9.254e-20 -19.055 -19.034 0.021 37.16
|
||||
S-2 5.565e-25 1.632e-25 -24.255 -24.787 -0.533 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.654e-03 1.627e-03 -2.248 -2.789 -0.541 15.62
|
||||
NaSO4- 1.178e-03 8.756e-04 -2.929 -3.058 -0.129 20.22
|
||||
CaSO4 9.671e-04 1.015e-03 -3.015 -2.994 0.021 7.50
|
||||
MgSO4 9.444e-04 9.909e-04 -3.025 -3.004 0.021 5.84
|
||||
KSO4- 3.419e-05 2.542e-05 -4.466 -4.595 -0.129 (0)
|
||||
HSO4- 1.753e-08 1.305e-08 -7.756 -7.884 -0.128 40.66
|
||||
CaHSO4+ 7.393e-10 5.505e-10 -9.131 -9.259 -0.128 (0)
|
||||
SO4-2 5.658e-03 1.628e-03 -2.247 -2.788 -0.541 15.62
|
||||
NaSO4- 1.181e-03 8.780e-04 -2.928 -3.057 -0.129 20.22
|
||||
CaSO4 9.636e-04 1.011e-03 -3.016 -2.995 0.021 7.50
|
||||
MgSO4 9.410e-04 9.874e-04 -3.026 -3.006 0.021 5.84
|
||||
KSO4- 3.421e-05 2.543e-05 -4.466 -4.595 -0.129 (0)
|
||||
HSO4- 1.881e-08 1.400e-08 -7.726 -7.854 -0.128 40.66
|
||||
CaHSO4+ 7.899e-10 5.882e-10 -9.102 -9.230 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.209e-05 2.318e-05 -4.656 -4.635 0.021 52.08
|
||||
H3SiO4- 5.791e-08 4.141e-08 -7.237 -7.383 -0.146 28.38
|
||||
H2SiO4-2 1.117e-13 3.413e-14 -12.952 -13.467 -0.515 (0)
|
||||
H3SiO4- 5.402e-08 3.862e-08 -7.267 -7.413 -0.146 28.38
|
||||
H2SiO4-2 9.719e-14 2.969e-14 -13.012 -13.527 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -0.97 -5.24 -4.28 CaSO4
|
||||
Anhydrite -0.97 -5.25 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -119.76 -122.60 -2.84 CH4
|
||||
CH4(g) -18.95 -21.79 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -6.73 25.47 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.05 -3.51 -1.46 CO2
|
||||
Chrysotile -6.92 25.28 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -1.98 -3.45 -1.46 CO2
|
||||
Dolomite 0.00 -17.09 -17.09 CaMg(CO3)2
|
||||
Gypsum -0.67 -5.25 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.92 -39.02 -3.10 H2
|
||||
H2(g) -10.73 -13.84 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -118.79 -126.78 -7.99 H2S
|
||||
H2S(g) -17.98 -25.98 -7.99 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -11.45 -14.34 -2.89 O2
|
||||
O2(g) -61.82 -64.71 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -6.50 9.26 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.40 9.26 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -6.63 9.13 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -9.53 9.13 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -88.85 -83.97 4.88 S
|
||||
Sulfur -13.23 -8.35 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -5.18 16.21 21.40 Mg3Si4O10(OH)2
|
||||
Talc -5.37 16.03 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
|
||||
------------------
|
||||
@ -672,14 +672,14 @@ Using pure phase assemblage 2.
|
||||
Moles in assemblage
|
||||
Phase SI log IAP log K(T, P) Initial Final Delta
|
||||
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -8.465e-05
|
||||
Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.138e-05
|
||||
|
||||
-----------------------------Solution composition------------------------------
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 3.317e-03 3.317e-03
|
||||
Ca 4.443e-03 4.442e-03
|
||||
C 3.248e-03 3.248e-03
|
||||
Ca 4.398e-03 4.398e-03
|
||||
Cl 1.697e-01 1.697e-01
|
||||
K 3.173e-03 3.173e-03
|
||||
Mg 1.652e-02 1.652e-02
|
||||
@ -689,113 +689,113 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -8.465e-05
|
||||
|
||||
----------------------------Description of solution----------------------------
|
||||
|
||||
pH = 7.472 Charge balance
|
||||
pe = 10.464 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18719
|
||||
pH = 7.437 Charge balance
|
||||
pe = -2.095 Adjusted to redox equilibrium
|
||||
Specific Conductance (uS/cm, 25 oC) = 18738
|
||||
Density (g/cm3) = 1.00526
|
||||
Volume (L) = 1.00652
|
||||
Volume (L) = 1.00651
|
||||
Activity of water = 0.994
|
||||
Ionic strength = 2.087e-01
|
||||
Ionic strength = 2.089e-01
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = 3.210e-03
|
||||
Total CO2 (mol/kg) = 3.317e-03
|
||||
Total alkalinity (eq/kg) = 3.122e-03
|
||||
Total CO2 (mol/kg) = 3.248e-03
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.390e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.06
|
||||
Iterations = 12
|
||||
Total H = 1.110132e+02
|
||||
Total O = 5.554997e+01
|
||||
Iterations = 3
|
||||
Total H = 1.110131e+02
|
||||
Total O = 5.554977e+01
|
||||
|
||||
----------------------------Distribution of species----------------------------
|
||||
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
OH- 4.242e-07 2.984e-07 -6.372 -6.525 -0.153 -3.48
|
||||
H+ 4.237e-08 3.372e-08 -7.373 -7.472 -0.099 0.00
|
||||
OH- 3.911e-07 2.751e-07 -6.408 -6.560 -0.153 -3.48
|
||||
H+ 4.595e-08 3.657e-08 -7.338 -7.437 -0.099 0.00
|
||||
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 -122.967 -122.946 0.021 32.22
|
||||
C(4) 3.317e-03
|
||||
HCO3- 2.489e-03 1.851e-03 -2.604 -2.733 -0.129 25.77
|
||||
NaHCO3 4.758e-04 4.992e-04 -3.323 -3.302 0.021 19.41
|
||||
MgHCO3+ 1.502e-04 1.074e-04 -3.823 -3.969 -0.146 5.72
|
||||
CO2 1.345e-04 1.411e-04 -3.871 -3.850 0.021 30.26
|
||||
CaHCO3+ 4.030e-05 3.039e-05 -4.395 -4.517 -0.123 9.88
|
||||
MgCO3 1.161e-05 1.219e-05 -4.935 -4.914 0.021 -17.09
|
||||
CO3-2 8.421e-06 2.574e-06 -5.075 -5.589 -0.515 -2.44
|
||||
C(-4) 7.346e-23
|
||||
CH4 7.346e-23 7.708e-23 -22.134 -22.113 0.021 32.22
|
||||
C(4) 3.248e-03
|
||||
HCO3- 2.730e-03 2.030e-03 -2.564 -2.693 -0.129 25.61
|
||||
MgHCO3+ 1.646e-04 1.177e-04 -3.784 -3.929 -0.146 5.72
|
||||
CO2 1.600e-04 1.679e-04 -3.796 -3.775 0.021 29.09
|
||||
NaHCO3 1.171e-04 1.229e-04 -3.931 -3.911 0.021 2.13
|
||||
CaHCO3+ 4.371e-05 3.296e-05 -4.359 -4.482 -0.123 9.88
|
||||
MgCO3 1.173e-05 1.231e-05 -4.931 -4.910 0.021 -17.09
|
||||
CO3-2 8.518e-06 2.603e-06 -5.070 -5.585 -0.515 -3.81
|
||||
NaCO3- 7.005e-06 5.217e-06 -5.155 -5.283 -0.128 0.73
|
||||
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
NaCO3- 1.660e-06 1.235e-06 -5.780 -5.908 -0.129 0.26
|
||||
Ca 4.443e-03
|
||||
Ca+2 4.052e-03 1.287e-03 -2.392 -2.890 -0.498 -17.20
|
||||
CaSO4 3.453e-04 3.623e-04 -3.462 -3.441 0.021 7.50
|
||||
CaHCO3+ 4.030e-05 3.039e-05 -4.395 -4.517 -0.123 9.88
|
||||
Ca 4.398e-03
|
||||
Ca+2 4.008e-03 1.273e-03 -2.397 -2.895 -0.498 -17.20
|
||||
CaSO4 3.415e-04 3.583e-04 -3.467 -3.446 0.021 7.50
|
||||
CaHCO3+ 4.371e-05 3.296e-05 -4.359 -4.482 -0.123 9.88
|
||||
CaCO3 5.304e-06 5.565e-06 -5.275 -5.255 0.021 -14.60
|
||||
CaOH+ 8.456e-09 6.297e-09 -8.073 -8.201 -0.128 (0)
|
||||
CaHSO4+ 1.078e-10 8.030e-11 -9.967 -10.095 -0.128 (0)
|
||||
CaOH+ 7.710e-09 5.742e-09 -8.113 -8.241 -0.128 (0)
|
||||
CaHSO4+ 1.157e-10 8.614e-11 -9.937 -10.065 -0.128 (0)
|
||||
Cl 1.697e-01
|
||||
Cl- 1.697e-01 1.209e-01 -0.770 -0.918 -0.147 18.47
|
||||
H(0) 1.809e-39
|
||||
H2 9.046e-40 9.491e-40 -39.044 -39.023 0.021 28.61
|
||||
H(0) 2.797e-14
|
||||
H2 1.399e-14 1.468e-14 -13.854 -13.833 0.021 28.61
|
||||
K 3.173e-03
|
||||
K+ 3.140e-03 2.225e-03 -2.503 -2.653 -0.150 9.35
|
||||
KSO4- 3.328e-05 2.475e-05 -4.478 -4.607 -0.129 (0)
|
||||
Mg 1.652e-02
|
||||
Mg+2 1.460e-02 4.961e-03 -1.836 -2.304 -0.469 -20.91
|
||||
MgSO4 1.755e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
MgHCO3+ 1.502e-04 1.074e-04 -3.823 -3.969 -0.146 5.72
|
||||
MgCO3 1.161e-05 1.219e-05 -4.935 -4.914 0.021 -17.09
|
||||
MgOH+ 6.968e-07 5.311e-07 -6.157 -6.275 -0.118 (0)
|
||||
Mg+2 1.459e-02 4.956e-03 -1.836 -2.305 -0.469 -20.91
|
||||
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 5.84
|
||||
MgHCO3+ 1.646e-04 1.177e-04 -3.784 -3.929 -0.146 5.72
|
||||
MgCO3 1.173e-05 1.231e-05 -4.931 -4.910 0.021 -17.09
|
||||
MgOH+ 6.418e-07 4.891e-07 -6.193 -6.311 -0.118 (0)
|
||||
Na 1.456e-01
|
||||
Na+ 1.440e-01 1.074e-01 -0.842 -0.969 -0.127 -0.95
|
||||
NaSO4- 1.146e-03 8.519e-04 -2.941 -3.070 -0.129 20.22
|
||||
NaHCO3 4.758e-04 4.992e-04 -3.323 -3.302 0.021 19.41
|
||||
NaCO3- 1.660e-06 1.235e-06 -5.780 -5.908 -0.129 0.26
|
||||
NaOH 3.054e-18 3.204e-18 -17.515 -17.494 0.021 (0)
|
||||
O(0) 8.718e-15
|
||||
O2 4.359e-15 4.573e-15 -14.361 -14.340 0.021 30.40
|
||||
S(-2) 0.000e+00
|
||||
HS- 0.000e+00 0.000e+00 -119.950 -120.103 -0.153 21.00
|
||||
H2S 0.000e+00 0.000e+00 -120.654 -120.634 0.021 37.16
|
||||
S-2 0.000e+00 0.000e+00 -125.017 -125.549 -0.532 (0)
|
||||
Na+ 1.444e-01 1.076e-01 -0.841 -0.968 -0.127 -0.95
|
||||
NaSO4- 1.149e-03 8.541e-04 -2.940 -3.069 -0.129 20.22
|
||||
NaHCO3 1.171e-04 1.229e-04 -3.931 -3.911 0.021 2.13
|
||||
NaCO3- 7.005e-06 5.217e-06 -5.155 -5.283 -0.128 0.73
|
||||
NaOH 2.822e-18 2.962e-18 -17.549 -17.528 0.021 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -64.739 -64.718 0.021 30.40
|
||||
S(-2) 8.445e-20
|
||||
HS- 6.954e-20 4.891e-20 -19.158 -19.311 -0.153 21.00
|
||||
H2S 1.491e-20 1.564e-20 -19.827 -19.806 0.021 37.16
|
||||
S-2 5.507e-25 1.615e-25 -24.259 -24.792 -0.533 (0)
|
||||
S(6) 8.777e-03
|
||||
SO4-2 5.498e-03 1.583e-03 -2.260 -2.801 -0.541 15.62
|
||||
MgSO4 1.755e-03 1.841e-03 -2.756 -2.735 0.021 5.84
|
||||
NaSO4- 1.146e-03 8.519e-04 -2.941 -3.070 -0.129 20.22
|
||||
CaSO4 3.453e-04 3.623e-04 -3.462 -3.441 0.021 7.50
|
||||
SO4-2 5.501e-03 1.583e-03 -2.260 -2.801 -0.541 15.62
|
||||
MgSO4 1.753e-03 1.839e-03 -2.756 -2.735 0.021 5.84
|
||||
NaSO4- 1.149e-03 8.541e-04 -2.940 -3.069 -0.129 20.22
|
||||
CaSO4 3.415e-04 3.583e-04 -3.467 -3.446 0.021 7.50
|
||||
KSO4- 3.328e-05 2.475e-05 -4.478 -4.607 -0.129 (0)
|
||||
HSO4- 6.968e-09 5.189e-09 -8.157 -8.285 -0.128 40.66
|
||||
CaHSO4+ 1.078e-10 8.030e-11 -9.967 -10.095 -0.128 (0)
|
||||
HSO4- 7.559e-09 5.629e-09 -8.122 -8.250 -0.128 40.66
|
||||
CaHSO4+ 1.157e-10 8.614e-11 -9.937 -10.065 -0.128 (0)
|
||||
Si 2.215e-05
|
||||
H4SiO4 2.201e-05 2.309e-05 -4.657 -4.637 0.021 52.08
|
||||
H3SiO4- 1.412e-07 1.010e-07 -6.850 -6.996 -0.146 28.37
|
||||
H2SiO4-2 6.664e-13 2.037e-13 -12.176 -12.691 -0.515 (0)
|
||||
H4SiO4 2.202e-05 2.310e-05 -4.657 -4.636 0.021 52.08
|
||||
H3SiO4- 1.303e-07 9.314e-08 -6.885 -7.031 -0.146 28.37
|
||||
H2SiO4-2 5.670e-13 1.732e-13 -12.246 -12.761 -0.515 (0)
|
||||
|
||||
------------------------------Saturation indices-------------------------------
|
||||
|
||||
Phase SI log IAP log K(298 K, 1 atm)
|
||||
|
||||
Anhydrite -1.41 -5.69 -4.28 CaSO4
|
||||
Anhydrite -1.42 -5.70 -4.28 CaSO4
|
||||
Aragonite -0.14 -8.48 -8.34 CaCO3
|
||||
Calcite 0.00 -8.48 -8.48 CaCO3
|
||||
CH4(g) -120.10 -122.95 -2.84 CH4
|
||||
CH4(g) -19.27 -22.11 -2.84 CH4
|
||||
Chalcedony -1.08 -4.63 -3.55 SiO2
|
||||
Chrysotile -3.56 28.64 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.39 -3.85 -1.46 CO2
|
||||
Chrysotile -3.77 28.43 32.20 Mg3Si2O5(OH)4
|
||||
CO2(g) -2.31 -3.77 -1.46 CO2
|
||||
Dolomite 0.72 -16.37 -17.09 CaMg(CO3)2
|
||||
Gypsum -1.12 -5.70 -4.58 CaSO4:2H2O
|
||||
H2(g) -35.92 -39.02 -3.10 H2
|
||||
H2(g) -10.73 -13.83 -3.10 H2
|
||||
H2O(g) -1.51 -0.00 1.50 H2O
|
||||
H2S(g) -119.58 -127.58 -7.99 H2S
|
||||
H2S(g) -18.76 -26.75 -7.99 H2S
|
||||
Halite -3.46 -1.89 1.57 NaCl
|
||||
O2(g) -11.45 -14.34 -2.89 O2
|
||||
O2(g) -61.83 -64.72 -2.89 O2
|
||||
Quartz -0.65 -4.63 -3.98 SiO2
|
||||
Sepiolite -4.39 11.37 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.29 11.37 18.66 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite -4.53 11.23 15.76 Mg2Si3O7.5OH:3H2O
|
||||
Sepiolite(d) -7.43 11.23 18.66 Mg2Si3O7.5OH:3H2O
|
||||
SiO2(a) -1.92 -4.63 -2.71 SiO2
|
||||
Sulfur -89.64 -84.76 4.88 S
|
||||
Sulfur -14.00 -9.12 4.88 S
|
||||
Sylvite -4.47 -3.57 0.90 KCl
|
||||
Talc -2.02 19.38 21.40 Mg3Si4O10(OH)2
|
||||
Talc -2.23 19.17 21.40 Mg3Si4O10(OH)2
|
||||
|
||||
|
||||
------------------
|
||||
|
||||
126
ex4.out
126
ex4.out
@ -54,7 +54,7 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C(4) 1.112e-05 1.112e-05 Equilibrium with CO2(g)
|
||||
C(4) 1.109e-05 1.109e-05 Equilibrium with CO2(g)
|
||||
Ca 9.581e-06 9.581e-06
|
||||
Cl 6.657e-06 6.657e-06
|
||||
K 9.207e-07 9.207e-07
|
||||
@ -75,7 +75,7 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
Ionic strength = 8.839e-05
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -3.185e-05
|
||||
Total CO2 (mol/kg) = 1.112e-05
|
||||
Total CO2 (mol/kg) = 1.109e-05
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.581e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 20.29
|
||||
@ -97,23 +97,23 @@ Initial solution 1. Precipitation from Central Oklahoma
|
||||
H+ 3.196e-05 3.162e-05 -4.495 -4.500 -0.005 0.00
|
||||
OH- 3.236e-10 3.201e-10 -9.490 -9.495 -0.005 -4.13
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(4) 1.112e-05
|
||||
CO2 1.096e-05 1.096e-05 -4.960 -4.960 0.000 30.26
|
||||
HCO3- 1.558e-07 1.541e-07 -6.807 -6.812 -0.005 24.57
|
||||
CaHCO3+ 1.820e-11 1.800e-11 -10.740 -10.745 -0.005 9.65
|
||||
MgHCO3+ 3.079e-12 3.046e-12 -11.512 -11.516 -0.005 5.46
|
||||
NaHCO3 2.349e-12 2.349e-12 -11.629 -11.629 0.000 19.41
|
||||
CO3-2 2.388e-13 2.286e-13 -12.622 -12.641 -0.019 -4.46
|
||||
CaCO3 3.515e-15 3.515e-15 -14.454 -14.454 0.000 -14.60
|
||||
MgCO3 3.684e-16 3.684e-16 -15.434 -15.434 0.000 -17.09
|
||||
NaCO3- 6.262e-18 6.195e-18 -17.203 -17.208 -0.005 -0.68
|
||||
C(4) 1.109e-05
|
||||
CO2 1.093e-05 1.093e-05 -4.961 -4.961 0.000 29.09
|
||||
HCO3- 1.554e-07 1.537e-07 -6.809 -6.813 -0.005 24.69
|
||||
CaHCO3+ 1.815e-11 1.795e-11 -10.741 -10.746 -0.005 9.65
|
||||
MgHCO3+ 3.071e-12 3.038e-12 -11.513 -11.517 -0.005 5.46
|
||||
NaHCO3 5.244e-13 5.244e-13 -12.280 -12.280 0.000 2.13
|
||||
CO3-2 2.381e-13 2.280e-13 -12.623 -12.642 -0.019 -5.59
|
||||
CaCO3 3.506e-15 3.506e-15 -14.455 -14.455 0.000 -14.60
|
||||
MgCO3 3.674e-16 3.674e-16 -15.435 -15.435 0.000 -17.09
|
||||
NaCO3- 2.604e-17 2.575e-17 -16.584 -16.589 -0.005 -0.64
|
||||
Ca 9.581e-06
|
||||
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22
|
||||
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
|
||||
CaHCO3+ 1.820e-11 1.800e-11 -10.740 -10.745 -0.005 9.65
|
||||
CaHCO3+ 1.815e-11 1.795e-11 -10.741 -10.746 -0.005 9.65
|
||||
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
|
||||
CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0)
|
||||
CaCO3 3.515e-15 3.515e-15 -14.454 -14.454 0.000 -14.60
|
||||
CaCO3 3.506e-15 3.506e-15 -14.455 -14.455 0.000 -14.60
|
||||
Cl 6.657e-06
|
||||
Cl- 6.657e-06 6.584e-06 -5.177 -5.181 -0.005 18.05
|
||||
H(0) 1.416e-20
|
||||
@ -124,9 +124,9 @@ K 9.207e-07
|
||||
Mg 1.769e-06
|
||||
Mg+2 1.764e-06 1.689e-06 -5.754 -5.772 -0.019 -21.90
|
||||
MgSO4 5.103e-09 5.103e-09 -8.292 -8.292 0.000 5.84
|
||||
MgHCO3+ 3.079e-12 3.046e-12 -11.512 -11.516 -0.005 5.46
|
||||
MgHCO3+ 3.071e-12 3.038e-12 -11.513 -11.517 -0.005 5.46
|
||||
MgOH+ 1.960e-13 1.939e-13 -12.708 -12.712 -0.005 (0)
|
||||
MgCO3 3.684e-16 3.684e-16 -15.434 -15.434 0.000 -17.09
|
||||
MgCO3 3.674e-16 3.674e-16 -15.435 -15.435 0.000 -17.09
|
||||
N(-3) 1.485e-05
|
||||
NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 17.94
|
||||
NH4SO4- 2.465e-09 2.439e-09 -8.608 -8.613 -0.005 (0)
|
||||
@ -136,8 +136,8 @@ N(5) 1.692e-05
|
||||
Na 6.133e-06
|
||||
Na+ 6.133e-06 6.066e-06 -5.212 -5.217 -0.005 -1.41
|
||||
NaSO4- 3.962e-10 3.919e-10 -9.402 -9.407 -0.005 18.39
|
||||
NaHCO3 2.349e-12 2.349e-12 -11.629 -11.629 0.000 19.41
|
||||
NaCO3- 6.262e-18 6.195e-18 -17.203 -17.208 -0.005 -0.68
|
||||
NaHCO3 5.244e-13 5.244e-13 -12.280 -12.280 0.000 2.13
|
||||
NaCO3- 2.604e-17 2.575e-17 -16.584 -16.589 -0.005 -0.64
|
||||
NaOH 1.942e-25 1.942e-25 -24.712 -24.712 0.000 (0)
|
||||
O(0) 0.000e+00
|
||||
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40
|
||||
@ -159,7 +159,7 @@ S(6) 1.353e-05
|
||||
Aragonite -9.34 -17.68 -8.34 CaCO3
|
||||
Calcite -9.20 -17.68 -8.48 CaCO3
|
||||
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000.
|
||||
Dolomite -19.00 -36.09 -17.09 CaMg(CO3)2
|
||||
Dolomite -19.01 -36.10 -17.09 CaMg(CO3)2
|
||||
Gypsum -5.35 -9.93 -4.58 CaSO4:2H2O
|
||||
H2(g) -17.05 -20.15 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -196,7 +196,7 @@ Reaction 1.
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 2.222e-04 1.112e-05
|
||||
C 2.216e-04 1.109e-05
|
||||
Ca 1.916e-04 9.581e-06
|
||||
Cl 1.331e-04 6.657e-06
|
||||
K 1.841e-05 9.207e-07
|
||||
@ -216,7 +216,7 @@ Reaction 1.
|
||||
Ionic strength = 1.531e-03
|
||||
Mass of water (kg) = 5.002e-02
|
||||
Total alkalinity (eq/kg) = -7.555e-04
|
||||
Total CO2 (mol/kg) = 2.222e-04
|
||||
Total CO2 (mol/kg) = 2.216e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 2.581e-05
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
|
||||
@ -229,28 +229,28 @@ Reaction 1.
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
H+ 7.405e-04 7.106e-04 -3.130 -3.148 -0.018 0.00
|
||||
H+ 7.405e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
|
||||
OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -136.686 -136.685 0.000 32.22
|
||||
C(4) 2.222e-04
|
||||
CO2 2.221e-04 2.222e-04 -3.653 -3.653 0.000 30.26
|
||||
HCO3- 1.451e-07 1.390e-07 -6.838 -6.857 -0.019 24.60
|
||||
CaHCO3+ 2.895e-10 2.774e-10 -9.538 -9.557 -0.019 9.68
|
||||
MgHCO3+ 4.865e-11 4.657e-11 -10.313 -10.332 -0.019 5.48
|
||||
NaHCO3 4.095e-11 4.097e-11 -10.388 -10.388 0.000 19.41
|
||||
CO3-2 1.090e-14 9.176e-15 -13.963 -14.037 -0.075 -4.34
|
||||
CaCO3 2.409e-15 2.410e-15 -14.618 -14.618 0.000 -14.60
|
||||
MgCO3 2.505e-16 2.506e-16 -15.601 -15.601 0.000 -17.09
|
||||
NaCO3- 5.019e-18 4.807e-18 -17.299 -17.318 -0.019 -0.65
|
||||
CH4 0.000e+00 0.000e+00 -136.687 -136.687 0.000 32.22
|
||||
C(4) 2.216e-04
|
||||
CO2 2.215e-04 2.216e-04 -3.655 -3.655 0.000 29.09
|
||||
HCO3- 1.448e-07 1.387e-07 -6.839 -6.858 -0.019 24.72
|
||||
CaHCO3+ 2.887e-10 2.766e-10 -9.540 -9.558 -0.019 9.68
|
||||
MgHCO3+ 4.852e-11 4.644e-11 -10.314 -10.333 -0.019 5.48
|
||||
NaHCO3 9.143e-12 9.146e-12 -11.039 -11.039 0.000 2.13
|
||||
CO3-2 1.087e-14 9.151e-15 -13.964 -14.039 -0.075 -5.48
|
||||
CaCO3 2.403e-15 2.404e-15 -14.619 -14.619 0.000 -14.60
|
||||
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
|
||||
NaCO3- 2.088e-17 1.999e-17 -16.680 -16.699 -0.019 -0.60
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
CaHCO3+ 2.895e-10 2.774e-10 -9.538 -9.557 -0.019 9.68
|
||||
CaHCO3+ 2.887e-10 2.766e-10 -9.540 -9.558 -0.019 9.68
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.409e-15 2.410e-15 -14.618 -14.618 0.000 -14.60
|
||||
CaCO3 2.403e-15 2.404e-15 -14.619 -14.619 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
|
||||
H(0) 0.000e+00
|
||||
@ -261,9 +261,9 @@ K 1.841e-05
|
||||
Mg 3.536e-05
|
||||
Mg+2 3.396e-05 2.863e-05 -4.469 -4.543 -0.074 -21.80
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
MgHCO3+ 4.865e-11 4.657e-11 -10.313 -10.332 -0.019 5.48
|
||||
MgHCO3+ 4.852e-11 4.644e-11 -10.314 -10.333 -0.019 5.48
|
||||
MgOH+ 1.526e-13 1.462e-13 -12.817 -12.835 -0.018 (0)
|
||||
MgCO3 2.505e-16 2.506e-16 -15.601 -15.601 0.000 -17.09
|
||||
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.97
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 (0)
|
||||
@ -277,10 +277,10 @@ N(5) 1.601e-04
|
||||
Na 1.226e-04
|
||||
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.38
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 18.45
|
||||
NaHCO3 4.095e-11 4.097e-11 -10.388 -10.388 0.000 19.41
|
||||
NaCO3- 5.019e-18 4.807e-18 -17.299 -17.318 -0.019 -0.65
|
||||
NaHCO3 9.143e-12 9.146e-12 -11.039 -11.039 0.000 2.13
|
||||
NaCO3- 2.088e-17 1.999e-17 -16.680 -16.699 -0.019 -0.60
|
||||
NaOH 1.670e-25 1.671e-25 -24.777 -24.777 0.000 (0)
|
||||
O(0) 8.551e-08
|
||||
O(0) 8.552e-08
|
||||
O2 4.276e-08 4.277e-08 -7.369 -7.369 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -126.808 -126.808 0.000 37.16
|
||||
@ -305,7 +305,7 @@ S(6) 2.706e-04
|
||||
Calcite -9.36 -17.84 -8.48 CaCO3
|
||||
CH4(g) -133.84 -136.69 -2.84 CH4
|
||||
CO2(g) -2.19 -3.65 -1.46 CO2
|
||||
Dolomite -19.33 -36.42 -17.09 CaMg(CO3)2
|
||||
Dolomite -19.34 -36.43 -17.09 CaMg(CO3)2
|
||||
Gypsum -2.91 -7.49 -4.58 CaSO4:2H2O
|
||||
H2(g) -39.40 -42.51 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
@ -353,7 +353,7 @@ Mixture 1.
|
||||
|
||||
Elements Molality Moles
|
||||
|
||||
C 2.222e-04 2.223e-04
|
||||
C 2.216e-04 2.217e-04
|
||||
Ca 1.916e-04 1.916e-04
|
||||
Cl 1.331e-04 1.331e-04
|
||||
K 1.841e-05 1.841e-05
|
||||
@ -373,7 +373,7 @@ Mixture 1.
|
||||
Ionic strength = 1.531e-03
|
||||
Mass of water (kg) = 1.000e+00
|
||||
Total alkalinity (eq/kg) = -7.555e-04
|
||||
Total CO2 (mol/kg) = 2.222e-04
|
||||
Total CO2 (mol/kg) = 2.216e-04
|
||||
Temperature (deg C) = 25.00
|
||||
Electrical balance (eq) = 5.162e-04
|
||||
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.28
|
||||
@ -386,28 +386,28 @@ Mixture 1.
|
||||
Log Log Log mole V
|
||||
Species Molality Activity Molality Activity Gamma cm3/mol
|
||||
|
||||
H+ 7.405e-04 7.106e-04 -3.130 -3.148 -0.018 0.00
|
||||
H+ 7.405e-04 7.107e-04 -3.130 -3.148 -0.018 0.00
|
||||
OH- 1.488e-11 1.424e-11 -10.827 -10.846 -0.019 -4.10
|
||||
H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07
|
||||
C(-4) 0.000e+00
|
||||
CH4 0.000e+00 0.000e+00 -136.686 -136.685 0.000 32.22
|
||||
C(4) 2.222e-04
|
||||
CO2 2.221e-04 2.222e-04 -3.653 -3.653 0.000 30.26
|
||||
HCO3- 1.451e-07 1.390e-07 -6.838 -6.857 -0.019 24.60
|
||||
CaHCO3+ 2.895e-10 2.774e-10 -9.538 -9.557 -0.019 9.68
|
||||
MgHCO3+ 4.865e-11 4.657e-11 -10.313 -10.332 -0.019 5.48
|
||||
NaHCO3 4.095e-11 4.097e-11 -10.388 -10.388 0.000 19.41
|
||||
CO3-2 1.090e-14 9.176e-15 -13.963 -14.037 -0.075 -4.34
|
||||
CaCO3 2.409e-15 2.410e-15 -14.618 -14.618 0.000 -14.60
|
||||
MgCO3 2.505e-16 2.506e-16 -15.601 -15.601 0.000 -17.09
|
||||
NaCO3- 5.019e-18 4.807e-18 -17.299 -17.318 -0.019 -0.65
|
||||
CH4 0.000e+00 0.000e+00 -136.687 -136.687 0.000 32.22
|
||||
C(4) 2.216e-04
|
||||
CO2 2.215e-04 2.216e-04 -3.655 -3.655 0.000 29.09
|
||||
HCO3- 1.448e-07 1.387e-07 -6.839 -6.858 -0.019 24.72
|
||||
CaHCO3+ 2.887e-10 2.766e-10 -9.540 -9.558 -0.019 9.68
|
||||
MgHCO3+ 4.852e-11 4.644e-11 -10.314 -10.333 -0.019 5.48
|
||||
NaHCO3 9.143e-12 9.146e-12 -11.039 -11.039 0.000 2.13
|
||||
CO3-2 1.087e-14 9.151e-15 -13.964 -14.039 -0.075 -5.48
|
||||
CaCO3 2.403e-15 2.404e-15 -14.619 -14.619 0.000 -14.60
|
||||
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
|
||||
NaCO3- 2.088e-17 1.999e-17 -16.680 -16.699 -0.019 -0.60
|
||||
Ca 1.916e-04
|
||||
Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12
|
||||
CaSO4 5.802e-06 5.804e-06 -5.236 -5.236 0.000 7.50
|
||||
CaHSO4+ 2.832e-08 2.711e-08 -7.548 -7.567 -0.019 (0)
|
||||
CaHCO3+ 2.895e-10 2.774e-10 -9.538 -9.557 -0.019 9.68
|
||||
CaHCO3+ 2.887e-10 2.766e-10 -9.540 -9.558 -0.019 9.68
|
||||
CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0)
|
||||
CaCO3 2.409e-15 2.410e-15 -14.618 -14.618 0.000 -14.60
|
||||
CaCO3 2.403e-15 2.404e-15 -14.619 -14.619 0.000 -14.60
|
||||
Cl 1.331e-04
|
||||
Cl- 1.331e-04 1.274e-04 -3.876 -3.895 -0.019 18.08
|
||||
H(0) 0.000e+00
|
||||
@ -418,9 +418,9 @@ K 1.841e-05
|
||||
Mg 3.536e-05
|
||||
Mg+2 3.396e-05 2.863e-05 -4.469 -4.543 -0.074 -21.80
|
||||
MgSO4 1.400e-06 1.401e-06 -5.854 -5.854 0.000 5.84
|
||||
MgHCO3+ 4.865e-11 4.657e-11 -10.313 -10.332 -0.019 5.48
|
||||
MgHCO3+ 4.852e-11 4.644e-11 -10.314 -10.333 -0.019 5.48
|
||||
MgOH+ 1.526e-13 1.462e-13 -12.817 -12.835 -0.018 (0)
|
||||
MgCO3 2.505e-16 2.506e-16 -15.601 -15.601 0.000 -17.09
|
||||
MgCO3 2.499e-16 2.500e-16 -15.602 -15.602 0.000 -17.09
|
||||
N(-3) 0.000e+00
|
||||
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.97
|
||||
NH4SO4- 0.000e+00 0.000e+00 -51.008 -51.027 -0.019 (0)
|
||||
@ -434,10 +434,10 @@ N(5) 1.601e-04
|
||||
Na 1.226e-04
|
||||
Na+ 1.225e-04 1.173e-04 -3.912 -3.931 -0.019 -1.38
|
||||
NaSO4- 1.281e-07 1.227e-07 -6.892 -6.911 -0.019 18.45
|
||||
NaHCO3 4.095e-11 4.097e-11 -10.388 -10.388 0.000 19.41
|
||||
NaCO3- 5.019e-18 4.807e-18 -17.299 -17.318 -0.019 -0.65
|
||||
NaHCO3 9.143e-12 9.146e-12 -11.039 -11.039 0.000 2.13
|
||||
NaCO3- 2.088e-17 1.999e-17 -16.680 -16.699 -0.019 -0.60
|
||||
NaOH 1.670e-25 1.671e-25 -24.777 -24.777 0.000 (0)
|
||||
O(0) 8.551e-08
|
||||
O(0) 8.552e-08
|
||||
O2 4.276e-08 4.277e-08 -7.369 -7.369 0.000 30.40
|
||||
S(-2) 0.000e+00
|
||||
H2S 0.000e+00 0.000e+00 -126.808 -126.808 0.000 37.16
|
||||
@ -462,7 +462,7 @@ S(6) 2.706e-04
|
||||
Calcite -9.36 -17.84 -8.48 CaCO3
|
||||
CH4(g) -133.84 -136.69 -2.84 CH4
|
||||
CO2(g) -2.19 -3.65 -1.46 CO2
|
||||
Dolomite -19.33 -36.42 -17.09 CaMg(CO3)2
|
||||
Dolomite -19.34 -36.43 -17.09 CaMg(CO3)2
|
||||
Gypsum -2.91 -7.49 -4.58 CaSO4:2H2O
|
||||
H2(g) -39.40 -42.51 -3.10 H2
|
||||
H2O(g) -1.50 -0.00 1.50 H2O
|
||||
|
||||
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 8.274 -4.93645 0.0000e+00 1.0000e+01 -3.1345e-08 1.0000e+01 1.0441e-08 9.9995e+00 -4.9642e-04 9.9995e+00 -4.9023e-04 0.0000e+00 0.0000e+00 -6.1259
|
||||
1 react 1 -99 0 2 8.16564 -4.27974 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.3011e-04 1.0000e+01 1.3908e-04 0.0000e+00 0.0000e+00 -2.0134
|
||||
1 react 1 -99 0 3 7.97536 -3.96112 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9392e-03 1.0002e+01 2.3930e-03 0.0000e+00 0.0000e+00 -1.0511
|
||||
1 react 1 -99 0 4 7.87669 -3.80692 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5612e-03 1.0005e+01 5.1032e-03 0.0000e+00 0.0000e+00 -0.6351
|
||||
1 react 1 -99 0 5 7.72112 -3.56821 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6178e-02 1.0016e+01 1.5819e-02 0.0000e+00 0.0000e+00 -0.0132
|
||||
1 react 1 -99 0 6 7.71535 -3.56054 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6847e-02 1.0026e+01 2.6483e-02 9.5521e-03 9.5521e-03 0.0000
|
||||
1 react 1 -99 0 1 8.27477 -4.93739 0.0000e+00 1.0000e+01 -3.1358e-08 1.0000e+01 1.0519e-08 9.9995e+00 -4.9597e-04 9.9995e+00 -4.8974e-04 0.0000e+00 0.0000e+00 -6.1261
|
||||
1 react 1 -99 0 2 8.16638 -4.28067 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2943e-04 1.0000e+01 1.3983e-04 0.0000e+00 0.0000e+00 -2.0137
|
||||
1 react 1 -99 0 3 7.97604 -3.96197 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9379e-03 1.0002e+01 2.3943e-03 0.0000e+00 0.0000e+00 -1.0513
|
||||
1 react 1 -99 0 4 7.87735 -3.80774 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5595e-03 1.0005e+01 5.1050e-03 0.0000e+00 0.0000e+00 -0.6352
|
||||
1 react 1 -99 0 5 7.72175 -3.569 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6175e-02 1.0016e+01 1.5822e-02 0.0000e+00 0.0000e+00 -0.0132
|
||||
1 react 1 -99 0 6 7.71597 -3.56133 2.5012e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6843e-02 1.0026e+01 2.6488e-02 9.5494e-03 9.5494e-03 0.0000
|
||||
|
||||
52
ex7.sel
52
ex7.sel
@ -1,28 +1,28 @@
|
||||
sim state reaction si_CO2(g) si_CH4(g) si_N2(g) si_NH3(g) pressure total mol volume g_CO2(g) g_CH4(g) g_N2(g) g_NH3(g)
|
||||
1 i_soln -99 -999.9990 -999.9990 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
1 react -99 -1.5001 -21.5011 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 1.0000e-03 -1.3566 -0.4572 -3.9823 -8.3839 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2487 -0.1562 -3.7284 -8.1845 1.1000e+00 1.0000e-25 3.0000e-27 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1633 -0.0015 -3.5874 -8.0880 1.1000e+00 7.9277e-05 2.3783e-06 4.9773e-06 7.2006e-05 1.8633e-08 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0977 -0.0064 -3.4060 -8.0238 1.1000e+00 6.5544e-04 1.9663e-05 4.7858e-05 5.8854e-04 2.3392e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9166 -0.0254 -2.9821 -7.8869 1.1000e+00 3.0845e-03 9.2536e-05 3.4177e-04 2.6513e-03 2.9215e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7240 -0.0587 -2.5486 -7.7549 1.1000e+00 8.4999e-03 2.5500e-04 1.4676e-03 6.7663e-03 2.1844e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5545 -0.1090 -2.1058 -7.6159 1.1000e+00 2.1159e-02 6.3476e-04 5.3975e-03 1.5002e-02 1.5071e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4375 -0.1661 -1.7634 -7.5100 1.1000e+00 5.0884e-02 1.5265e-03 1.6994e-02 3.1630e-02 7.9724e-04 0.0000e+00
|
||||
2 react 1.2500e-01 -0.3752 -0.2095 -1.5908 -7.4633 1.1000e+00 1.1308e-01 3.3924e-03 4.3587e-02 6.3606e-02 2.6364e-03 0.0000e+00
|
||||
2 react 2.5000e-01 -0.3434 -0.2366 -1.5108 -7.4455 1.1000e+00 2.4474e-01 7.3422e-03 1.0151e-01 1.2933e-01 6.8598e-03 0.0000e+00
|
||||
2 react 5.0000e-01 -0.3281 -0.2511 -1.4748 -7.4387 1.1000e+00 5.1038e-01 1.5312e-02 2.1930e-01 2.6087e-01 1.5539e-02 0.0000e+00
|
||||
2 react 1.0000e+00 -0.3206 -0.2585 -1.4580 -7.4358 1.1000e+00 1.0428e+00 3.1285e-02 4.5585e-01 5.2398e-01 3.3004e-02 0.0000e+00
|
||||
3 i_gas -99 -1.5001 -21.5011 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
3 react 1.0000e-03 -1.4939 -3.2573 -4.4522 -9.6174 6.4109e-02 6.0800e-02 1.8240e-03 3.0424e-02 5.2433e-04 3.3467e-05 0.0000e+00
|
||||
3 react 2.0000e-03 -1.4874 -2.9562 -4.1498 -9.3557 6.5179e-02 6.1814e-02 1.8544e-03 3.0880e-02 1.0488e-03 6.7156e-05 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2036 6.6249e-02 6.2828e-02 1.8848e-03 3.1335e-02 1.5734e-03 1.0090e-04 0.0000e+00
|
||||
3 react 4.0000e-03 -1.4748 -2.6551 -3.8475 -9.0964 6.7318e-02 6.3842e-02 1.9153e-03 3.1791e-02 2.0979e-03 1.3468e-04 0.0000e+00
|
||||
3 react 8.0000e-03 -1.4506 -2.3541 -3.5456 -8.8416 7.1596e-02 6.7899e-02 2.0370e-03 3.3613e-02 4.1962e-03 2.6990e-04 0.0000e+00
|
||||
3 react 1.6000e-02 -1.4059 -2.0530 -3.2442 -8.5948 8.0151e-02 7.6014e-02 2.2804e-03 3.7258e-02 8.3928e-03 5.4031e-04 0.0000e+00
|
||||
3 react 3.2000e-02 -1.3284 -1.7521 -2.9435 -8.3606 9.7256e-02 9.2239e-02 2.7672e-03 4.4546e-02 1.6785e-02 1.0800e-03 0.0000e+00
|
||||
3 react 6.4000e-02 -1.2056 -1.4512 -2.6436 -8.1439 1.3144e-01 1.2468e-01 3.7403e-03 5.9118e-02 3.3566e-02 2.1542e-03 0.0000e+00
|
||||
3 react 1.2500e-01 -1.0387 -1.1607 -2.3551 -7.9533 1.9655e-01 1.8647e-01 5.5940e-03 8.6880e-02 6.5544e-02 4.1871e-03 0.0000e+00
|
||||
3 react 2.5000e-01 -0.8206 -0.8601 -2.0572 -7.7735 3.2977e-01 3.1299e-01 9.3896e-03 1.4373e-01 1.3105e-01 8.3180e-03 0.0000e+00
|
||||
3 react 5.0000e-01 -0.5686 -0.5599 -1.7592 -7.6065 5.9570e-01 5.6590e-01 1.6977e-02 2.5739e-01 2.6201e-01 1.6532e-02 0.0000e+00
|
||||
3 react 1.0000e+00 -0.2957 -0.2602 -1.4603 -7.4470 1.1261e+00 1.0718e+00 3.2154e-02 4.8477e-01 5.2395e-01 3.2958e-02 0.0000e+00
|
||||
1 react -99 -1.5001 -21.5054 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 1.0000e-03 -1.3563 -0.4572 -3.9820 -8.3834 1.1000e+00 0.0000e+00 1.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 2.0000e-03 -1.2482 -0.1562 -3.7283 -8.1842 1.1000e+00 0.0000e+00 1.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
2 react 3.0000e-03 -1.1626 -0.0015 -3.5875 -8.0879 1.1000e+00 7.9439e-05 1.7620e-03 4.9947e-06 7.2146e-05 1.8670e-08 0.0000e+00
|
||||
2 react 4.0000e-03 -1.0970 -0.0065 -3.4061 -8.0237 1.1000e+00 6.5573e-04 1.4544e-02 4.7955e-05 5.8872e-04 2.3398e-07 0.0000e+00
|
||||
2 react 8.0000e-03 -0.9158 -0.0255 -2.9823 -7.8869 1.1000e+00 3.0856e-03 6.8432e-02 3.4251e-04 2.6516e-03 2.9216e-06 0.0000e+00
|
||||
2 react 1.6000e-02 -0.7232 -0.0589 -2.5486 -7.7548 1.1000e+00 8.5037e-03 1.8855e-01 1.4708e-03 6.7668e-03 2.1854e-05 0.0000e+00
|
||||
2 react 3.2000e-02 -0.5539 -0.1092 -2.1056 -7.6157 1.1000e+00 2.1170e-02 4.6927e-01 5.4077e-03 1.5003e-02 1.5085e-04 0.0000e+00
|
||||
2 react 6.4000e-02 -0.4371 -0.1663 -1.7633 -7.5097 1.1000e+00 5.0908e-02 1.1282e+00 1.7016e-02 3.1631e-02 7.9790e-04 0.0000e+00
|
||||
2 react 1.2500e-01 -0.3751 -0.2096 -1.5907 -7.4630 1.1000e+00 1.1312e-01 2.5064e+00 4.3619e-02 6.3607e-02 2.6376e-03 0.0000e+00
|
||||
2 react 2.5000e-01 -0.3433 -0.2367 -1.5107 -7.4451 1.1000e+00 2.4478e-01 5.4233e+00 1.0155e-01 1.2933e-01 6.8613e-03 0.0000e+00
|
||||
2 react 5.0000e-01 -0.3280 -0.2511 -1.4748 -7.4383 1.1000e+00 5.1043e-01 1.1308e+01 2.1934e-01 2.6087e-01 1.5540e-02 0.0000e+00
|
||||
2 react 1.0000e+00 -0.3206 -0.2585 -1.4580 -7.4354 1.1000e+00 1.0429e+00 2.3104e+01 4.5589e-01 5.2398e-01 3.3006e-02 0.0000e+00
|
||||
3 i_gas -99 -1.5001 -21.5054 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00
|
||||
3 react 1.0000e-03 -1.4939 -3.2573 -4.4522 -9.6170 6.4109e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2433e-04 3.3469e-05 0.0000e+00
|
||||
3 react 2.0000e-03 -1.4874 -2.9562 -4.1497 -9.3552 6.5179e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0488e-03 6.7158e-05 0.0000e+00
|
||||
3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2032 6.6249e-02 6.2828e-02 2.3190e+01 3.1335e-02 1.5734e-03 1.0091e-04 0.0000e+00
|
||||
3 react 4.0000e-03 -1.4748 -2.6551 -3.8475 -9.0960 6.7318e-02 6.3843e-02 2.3190e+01 3.1791e-02 2.0979e-03 1.3468e-04 0.0000e+00
|
||||
3 react 8.0000e-03 -1.4506 -2.3541 -3.5456 -8.8412 7.1596e-02 6.7900e-02 2.3190e+01 3.3613e-02 4.1962e-03 2.6991e-04 0.0000e+00
|
||||
3 react 1.6000e-02 -1.4059 -2.0530 -3.2442 -8.5943 8.0151e-02 7.6014e-02 2.3190e+01 3.7259e-02 8.3928e-03 5.4032e-04 0.0000e+00
|
||||
3 react 3.2000e-02 -1.3284 -1.7521 -2.9434 -8.3602 9.7258e-02 9.2241e-02 2.3190e+01 4.4548e-02 1.6785e-02 1.0800e-03 0.0000e+00
|
||||
3 react 6.4000e-02 -1.2056 -1.4512 -2.6436 -8.1435 1.3145e-01 1.2468e-01 2.3190e+01 5.9121e-02 3.3566e-02 2.1543e-03 0.0000e+00
|
||||
3 react 1.2500e-01 -1.0387 -1.1607 -2.3551 -7.9529 1.9656e-01 1.8647e-01 2.3190e+01 8.6886e-02 6.5544e-02 4.1873e-03 0.0000e+00
|
||||
3 react 2.5000e-01 -0.8205 -0.8601 -2.0572 -7.7730 3.2978e-01 3.1300e-01 2.3190e+01 1.4374e-01 1.3105e-01 8.3183e-03 0.0000e+00
|
||||
3 react 5.0000e-01 -0.5685 -0.5599 -1.7592 -7.6060 5.9572e-01 5.6593e-01 2.3190e+01 2.5741e-01 2.6201e-01 1.6532e-02 0.0000e+00
|
||||
3 react 1.0000e+00 -0.2956 -0.2602 -1.4603 -7.4466 1.1262e+00 1.0718e+00 2.3190e+01 4.8482e-01 5.2395e-01 3.2960e-02 0.0000e+00
|
||||
|
||||
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Reference in New Issue
Block a user