From a71e9dca90ec11a4f8c46c8b1af4f9ebed20ea32 Mon Sep 17 00:00:00 2001 From: Darth Vader Date: Mon, 27 May 2024 19:32:10 +0000 Subject: [PATCH] Squashed 'phreeqc3-examples/' changes from ce693868..b3aa6834 b3aa6834 [phreeqc3] Updated ctest outputs git-subtree-dir: phreeqc3-examples git-subtree-split: b3aa6834f5840bcfd5df4e6b54207c79ed962f03 --- ex1.out | 188 +- ex10.out | 5556 ++++++++++++++++++++++++++-------------------------- ex10.sel | 1240 ++++++------ ex11.out | 2 +- ex12.out | 2 +- ex12a.out | 2 +- ex13a.out | 2 +- ex13ac.out | 2 +- ex13b.out | 2 +- ex13c.out | 2 +- ex14.out | 530 ++--- ex14.sel | 402 ++-- ex16.out | 180 +- ex17.out | 5 +- ex17b.out | 49 +- ex18.out | 336 ++-- ex19.out | 2 +- ex19b.out | 2 +- ex2.out | 2 +- ex21.out | 6 +- ex22.out | 2 +- ex2b.out | 2 +- ex3.out | 554 +++--- ex4.out | 14 +- ex5.out | 876 ++++----- ex5.sel | 12 +- ex6.out | 2 +- ex7.out | 1566 +++++++-------- ex7.sel | 52 +- ex8.out | 2 +- ex9.out | 2 +- 31 files changed, 5797 insertions(+), 5799 deletions(-) diff --git a/ex1.out b/ex1.out index 0b4be6c4..1e5dee3b 100644 --- a/ex1.out +++ b/ex1.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -121,21 +121,21 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979) pH = 8.220 pe = 8.451 - Specific Conductance (µS/cm, 25°C) = 52855 + Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96027 + Viscosity (mPa s) = 0.96029 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 - Total carbon (mol/kg) = 2.240e-03 - Total CO2 (mol/kg) = 2.240e-03 + Total carbon (mol/kg) = 2.238e-03 + Total CO2 (mol/kg) = 2.238e-03 Temperature (°C) = 25.00 Electrical balance (eq) = 7.936e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Iterations = 7 Total H = 1.110148e+02 - Total O = 5.563072e+01 + Total O = 5.563071e+01 ---------------------------------Redox couples--------------------------------- @@ -149,50 +149,50 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979) Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.64 + OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63 H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00 H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07 -C(4) 2.240e-03 - HCO3- 1.520e-03 1.027e-03 -2.818 -2.988 -0.170 25.99 - MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82 - NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73 - MgCO3 9.394e-05 1.096e-04 -4.027 -3.960 0.067 -17.09 - CaHCO3+ 4.703e-05 3.256e-05 -4.328 -4.487 -0.160 9.96 - CO3-2 3.835e-05 7.992e-06 -4.416 -5.097 -0.681 -0.52 - CaCO3 2.859e-05 3.336e-05 -4.544 -4.477 0.067 -14.60 - CO2 1.281e-05 1.419e-05 -4.892 -4.848 0.044 34.43 - KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03 - UO2(CO3)3-4 1.257e-08 1.167e-10 -7.901 -9.933 -2.032 (0) - UO2(CO3)2-2 1.788e-09 5.550e-10 -8.748 -9.256 -0.508 (0) - MnCO3 2.657e-10 3.100e-10 -9.576 -9.509 0.067 (0) - MnHCO3+ 6.735e-11 4.469e-11 -10.172 -10.350 -0.178 (0) - UO2CO3 7.271e-12 8.484e-12 -11.138 -11.071 0.067 (0) - (CO2)2 3.166e-12 3.694e-12 -11.500 -11.432 0.067 68.87 - FeCO3 1.840e-20 2.147e-20 -19.735 -19.668 0.067 (0) - FeHCO3+ 1.541e-20 1.150e-20 -19.812 -19.939 -0.127 (0) +C(4) 2.238e-03 + HCO3- 1.541e-03 1.041e-03 -2.812 -2.983 -0.170 25.99 + MgHCO3+ 2.782e-04 1.751e-04 -3.556 -3.757 -0.201 5.82 + NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 + MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09 + CO3-2 3.888e-05 8.103e-06 -4.410 -5.091 -0.681 -0.52 + CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60 + CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92 + CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43 + KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03 + UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0) + UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0) + MnCO3 2.690e-10 3.139e-10 -9.570 -9.503 0.067 (0) + MnHCO3+ 6.820e-11 4.526e-11 -10.166 -10.344 -0.178 (0) + UO2CO3 7.086e-12 8.269e-12 -11.150 -11.083 0.067 (0) + (CO2)2 3.254e-12 3.797e-12 -11.488 -11.421 0.067 68.87 + FeCO3 1.866e-20 2.177e-20 -19.729 -19.662 0.067 (0) + FeHCO3+ 1.562e-20 1.166e-20 -19.806 -19.933 -0.127 (0) Ca 1.066e-02 - Ca+2 9.933e-03 2.485e-03 -2.003 -2.605 -0.602 -16.70 - CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50 - CaHCO3+ 4.703e-05 3.256e-05 -4.328 -4.487 -0.160 9.96 - CaCO3 2.859e-05 3.336e-05 -4.544 -4.477 0.067 -14.60 - CaOH+ 8.992e-08 6.712e-08 -7.046 -7.173 -0.127 (0) - CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0) + Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70 + CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50 + CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60 + CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92 + CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0) + CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0) Cl 5.657e-01 Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79 - MnCl+ 1.070e-09 7.103e-10 -8.970 -9.149 -0.178 -2.79 + MnCl+ 1.069e-09 7.094e-10 -8.971 -9.149 -0.178 -2.79 HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0) - MnCl2 9.486e-11 1.107e-10 -10.023 -9.956 0.067 85.89 - MnCl3- 1.640e-11 1.089e-11 -10.785 -10.963 -0.178 45.78 + MnCl2 9.474e-11 1.106e-10 -10.023 -9.956 0.067 85.89 + MnCl3- 1.638e-11 1.087e-11 -10.786 -10.964 -0.178 45.78 FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0) FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0) FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0) FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0) -Fe(2) 6.337e-19 - Fe+2 4.878e-19 1.120e-19 -18.312 -18.951 -0.639 -20.72 +Fe(2) 6.342e-19 + Fe+2 4.879e-19 1.120e-19 -18.312 -18.951 -0.639 -20.72 FeCl+ 7.395e-20 5.520e-20 -19.131 -19.258 -0.127 (0) - FeSO4 2.938e-20 3.428e-20 -19.532 -19.465 0.067 18.97 - FeCO3 1.840e-20 2.147e-20 -19.735 -19.668 0.067 (0) - FeHCO3+ 1.541e-20 1.150e-20 -19.812 -19.939 -0.127 (0) + FeSO4 2.937e-20 3.428e-20 -19.532 -19.465 0.067 18.97 + FeCO3 1.866e-20 2.177e-20 -19.729 -19.662 0.067 (0) + FeHCO3+ 1.562e-20 1.166e-20 -19.806 -19.933 -0.127 (0) FeOH+ 8.686e-21 5.764e-21 -20.061 -20.239 -0.178 (0) Fe(OH)2 6.842e-24 7.984e-24 -23.165 -23.098 0.067 (0) Fe(OH)3- 7.275e-26 4.828e-26 -25.138 -25.316 -0.178 (0) @@ -205,7 +205,7 @@ Fe(3) 3.711e-08 FeCl+2 1.515e-18 2.938e-19 -17.820 -18.532 -0.712 (0) FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0) FeCl2+ 7.061e-19 4.686e-19 -18.151 -18.329 -0.178 (0) - Fe+3 3.420e-19 2.725e-20 -18.466 -19.565 -1.099 (0) + Fe+3 3.421e-19 2.725e-20 -18.466 -19.565 -1.099 (0) Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0) FeCl3 1.434e-20 1.673e-20 -19.844 -19.777 0.067 (0) Fe2(OH)2+4 2.378e-24 2.207e-26 -23.624 -25.656 -2.032 (0) @@ -215,55 +215,55 @@ H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.469 -44.402 0.067 28.61 K 1.058e-02 K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66 - KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35 - KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03 + KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34 + KHCO3 2.969e-06 3.013e-06 -5.527 -5.521 0.006 41.03 Mg 5.507e-02 - Mg+2 4.980e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42 - MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92 - MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82 - Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91 - MgCO3 9.394e-05 1.096e-04 -4.027 -3.960 0.067 -17.09 + Mg+2 4.979e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42 + MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92 + MgHCO3+ 2.782e-04 1.751e-04 -3.556 -3.757 -0.201 5.82 + Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91 + MgCO3 9.523e-05 1.111e-04 -4.021 -3.954 0.067 -17.09 MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0) Mn(2) 3.773e-09 - Mn+2 2.127e-09 4.883e-10 -8.672 -9.311 -0.639 -16.37 - MnCl+ 1.070e-09 7.103e-10 -8.970 -9.149 -0.178 -2.79 - MnCO3 2.657e-10 3.100e-10 -9.576 -9.509 0.067 (0) - MnSO4 1.281e-10 1.495e-10 -9.893 -9.825 0.067 22.54 - MnCl2 9.486e-11 1.107e-10 -10.023 -9.956 0.067 85.89 - MnHCO3+ 6.735e-11 4.469e-11 -10.172 -10.350 -0.178 (0) - MnCl3- 1.640e-11 1.089e-11 -10.785 -10.963 -0.178 45.78 - MnOH+ 3.078e-12 2.043e-12 -11.512 -11.690 -0.178 (0) - Mn(OH)3- 5.027e-20 3.336e-20 -19.299 -19.477 -0.178 (0) - Mn(NO3)2 1.350e-20 1.576e-20 -19.870 -19.802 0.067 41.04 -Mn(3) 5.351e-26 - Mn+3 5.351e-26 4.263e-27 -25.272 -26.370 -1.099 (0) + Mn+2 2.125e-09 4.877e-10 -8.673 -9.312 -0.639 -16.37 + MnCl+ 1.069e-09 7.094e-10 -8.971 -9.149 -0.178 -2.79 + MnCO3 2.690e-10 3.139e-10 -9.570 -9.503 0.067 (0) + MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54 + MnCl2 9.474e-11 1.106e-10 -10.023 -9.956 0.067 85.89 + MnHCO3+ 6.820e-11 4.526e-11 -10.166 -10.344 -0.178 (0) + MnCl3- 1.638e-11 1.087e-11 -10.786 -10.964 -0.178 45.78 + MnOH+ 3.075e-12 2.040e-12 -11.512 -11.690 -0.178 (0) + Mn(OH)3- 5.021e-20 3.332e-20 -19.299 -19.477 -0.178 (0) + Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04 +Mn(3) 5.345e-26 + Mn+3 5.345e-26 4.258e-27 -25.272 -26.371 -1.099 (0) N(-3) 1.724e-06 NH4+ 1.618e-06 9.103e-07 -5.791 -6.041 -0.250 18.48 NH3 7.378e-08 8.610e-08 -7.132 -7.065 0.067 24.42 NH4SO4- 3.206e-08 2.000e-08 -7.494 -7.699 -0.205 18.66 N(5) 4.847e-06 NO3- 4.847e-06 2.847e-06 -5.314 -5.546 -0.231 30.29 - Mn(NO3)2 1.350e-20 1.576e-20 -19.870 -19.802 0.067 41.04 + Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04 Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 - NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22 - NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73 + NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 + NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 4.381e-04 O2 2.190e-04 2.556e-04 -3.659 -3.592 0.067 30.40 S(6) 2.926e-02 - NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22 - SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.41 - MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92 - CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50 - KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35 - Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91 + NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 + SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.42 + MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92 + CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50 + KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34 + Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91 NH4SO4- 3.206e-08 2.000e-08 -7.494 -7.699 -0.205 18.66 HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96 - MnSO4 1.281e-10 1.495e-10 -9.893 -9.825 0.067 22.54 - CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0) + MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54 + CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0) FeSO4+ 7.749e-19 5.142e-19 -18.111 -18.289 -0.178 (0) - FeSO4 2.938e-20 3.428e-20 -19.532 -19.465 0.067 18.97 + FeSO4 2.937e-20 3.428e-20 -19.532 -19.465 0.067 18.97 Fe(SO4)2- 2.594e-20 1.936e-20 -19.586 -19.713 -0.127 (0) FeHSO4+2 2.673e-26 8.297e-27 -25.573 -26.081 -0.508 (0) FeHSO4+ 1.819e-27 1.358e-27 -26.740 -26.867 -0.127 (0) @@ -271,37 +271,37 @@ Si 7.382e-05 H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08 H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72 H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0) -U(4) 1.010e-21 - U(OH)5- 1.009e-21 7.535e-22 -20.996 -21.123 -0.127 (0) - U(OH)4 1.613e-25 1.882e-25 -24.792 -24.725 0.067 (0) - U+4 0.000e+00 0.000e+00 -47.001 -49.033 -2.032 (0) -U(5) 1.582e-18 - UO2+ 1.582e-18 1.181e-18 -17.801 -17.928 -0.127 (0) +U(4) 9.706e-22 + U(OH)5- 9.704e-22 7.243e-22 -21.013 -21.140 -0.127 (0) + U(OH)4 1.550e-25 1.809e-25 -24.810 -24.743 0.067 (0) + U+4 0.000e+00 0.000e+00 -47.018 -49.051 -2.032 (0) +U(5) 1.521e-18 + UO2+ 1.521e-18 1.135e-18 -17.818 -17.945 -0.127 (0) U(6) 1.437e-08 - UO2(CO3)3-4 1.257e-08 1.167e-10 -7.901 -9.933 -2.032 (0) - UO2(CO3)2-2 1.788e-09 5.550e-10 -8.748 -9.256 -0.508 (0) - UO2CO3 7.271e-12 8.484e-12 -11.138 -11.071 0.067 (0) - UO2OH+ 3.300e-14 2.463e-14 -13.481 -13.609 -0.127 (0) - UO2+2 2.952e-16 9.161e-17 -15.530 -16.038 -0.508 (0) - (UO2)2(OH)2+2 1.695e-21 5.259e-22 -20.771 -21.279 -0.508 (0) - (UO2)3(OH)5+ 2.688e-23 2.006e-23 -22.571 -22.698 -0.127 (0) + UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0) + UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0) + UO2CO3 7.086e-12 8.269e-12 -11.150 -11.083 0.067 (0) + UO2OH+ 3.172e-14 2.368e-14 -13.499 -13.626 -0.127 (0) + UO2+2 2.837e-16 8.807e-17 -15.547 -16.055 -0.508 (0) + (UO2)2(OH)2+2 1.566e-21 4.860e-22 -20.805 -21.313 -0.508 (0) + (UO2)3(OH)5+ 2.388e-23 1.782e-23 -22.622 -22.749 -0.127 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -1.09 -5.37 -4.28 CaSO4 - Aragonite 0.63 -7.70 -8.34 CaCO3 + Aragonite 0.64 -7.69 -8.34 CaCO3 Arcanite -5.26 -7.14 -1.88 K2SO4 - Calcite 0.78 -7.70 -8.48 CaCO3 + Calcite 0.79 -7.69 -8.48 CaCO3 Chalcedony -0.52 -4.07 -3.55 SiO2 - Chrysotile 3.42 35.62 32.20 Mg3Si2O5(OH)4 - CO2(g) -3.38 -4.85 -1.47 CO2 - Dolomite 2.44 -14.64 -17.08 CaMg(CO3)2 + Chrysotile 3.41 35.62 32.20 Mg3Si2O5(OH)4 + CO2(g) -3.37 -4.84 -1.47 CO2 + Dolomite 2.46 -14.63 -17.08 CaMg(CO3)2 Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O Fe(OH)3(a) 0.18 5.07 4.89 Fe(OH)3 Goethite 6.08 5.08 -1.00 FeOOH - Gypsum -0.80 -5.39 -4.58 CaSO4:2H2O + Gypsum -0.80 -5.38 -4.58 CaSO4:2H2O H2(g) -41.30 -44.40 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.49 -0.92 1.57 NaCl @@ -316,17 +316,17 @@ U(6) 1.437e-08 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 - Pyrolusite 6.98 48.36 41.38 MnO2:H2O + Pyrolusite 6.97 48.35 41.38 MnO2:H2O Quartz -0.09 -4.07 -3.98 SiO2 - Rhodochrosite -3.28 -14.41 -11.13 MnCO3 + Rhodochrosite -3.27 -14.40 -11.13 MnCO3 Sepiolite 1.19 16.95 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -1.71 16.95 18.66 Mg2Si3O7.5OH:3H2O - Siderite -13.16 -24.05 -10.89 FeCO3 + Siderite -13.15 -24.04 -10.89 FeCO3 SiO2(a) -1.36 -4.07 -2.71 SiO2 Sylvite -3.54 -2.64 0.90 KCl Talc 6.09 27.49 21.40 Mg3Si4O10(OH)2 Thenardite -3.41 -3.71 -0.30 Na2SO4 - Uraninite -12.68 -16.17 -3.49 UO2 + Uraninite -12.70 -16.19 -3.49 UO2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/ex10.out b/ex10.out index 95629a1f..a4bf78c6 100644 --- a/ex10.out +++ b/ex10.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -118,21 +118,21 @@ Initial solution 1. ----------------------------Description of solution---------------------------- - pH = 7.969 Charge balance + pH = 7.963 Charge balance pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 686 + Specific Conductance (µS/cm, 25°C) = 701 Density (g/cm³) = 0.99755 - Volume (L) = 1.00309 - Viscosity (mPa s) = 0.89426 + Volume (L) = 1.00310 + Viscosity (mPa s) = 0.89435 Activity of water = 1.000 - Ionic strength (mol/kgw) = 1.105e-02 + Ionic strength (mol/kgw) = 1.134e-02 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 7.864e-03 Total CO2 (mol/kg) = 7.864e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.424e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 8 + Electrical balance (eq) = 6.473e-12 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 7 Total H = 1.110200e+02 Total O = 5.552965e+01 @@ -141,39 +141,39 @@ Initial solution 1. Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.052e-06 9.419e-07 -5.978 -6.026 -0.048 -4.03 - H+ 1.180e-08 1.074e-08 -7.928 -7.969 -0.041 0.00 + OH- 1.039e-06 9.295e-07 -5.983 -6.032 -0.048 -4.03 + H+ 1.197e-08 1.089e-08 -7.922 -7.963 -0.041 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 -75.159 -75.158 0.001 35.46 + CH4 0.000e+00 0.000e+00 -75.099 -75.098 0.001 35.46 C(4) 7.864e-03 - HCO3- 7.326e-03 6.602e-03 -2.135 -2.180 -0.045 24.65 - CaHCO3+ 2.211e-04 1.996e-04 -3.655 -3.700 -0.044 9.73 - CO2 1.592e-04 1.595e-04 -3.798 -3.797 0.001 34.43 - CaCO3 1.144e-04 1.147e-04 -3.941 -3.940 0.001 -14.60 - CO3-2 4.369e-05 2.882e-05 -4.360 -4.540 -0.181 -3.65 - (CO2)2 4.657e-10 4.669e-10 -9.332 -9.331 0.001 68.87 + HCO3- 7.466e-03 6.720e-03 -2.127 -2.173 -0.046 24.65 + CO2 1.643e-04 1.645e-04 -3.784 -3.784 0.001 34.43 + CaCO3 1.191e-04 1.194e-04 -3.924 -3.923 0.001 -14.60 + CaHCO3+ 7.058e-05 6.365e-05 -4.151 -4.196 -0.045 122.69 + CO3-2 4.409e-05 2.895e-05 -4.356 -4.538 -0.183 -3.64 + (CO2)2 4.956e-10 4.969e-10 -9.305 -9.304 0.001 68.87 Ca 3.932e-03 - Ca+2 3.596e-03 2.370e-03 -2.444 -2.625 -0.181 -17.91 - CaHCO3+ 2.211e-04 1.996e-04 -3.655 -3.700 -0.044 9.73 - CaCO3 1.144e-04 1.147e-04 -3.941 -3.940 0.001 -14.60 - CaOH+ 4.077e-08 3.661e-08 -7.390 -7.436 -0.047 (0) -H(0) 1.630e-27 - H2 8.150e-28 8.171e-28 -27.089 -27.088 0.001 28.61 -O(0) 1.245e-38 - O2 6.225e-39 6.241e-39 -38.206 -38.205 0.001 30.40 + Ca+2 3.742e-03 2.455e-03 -2.427 -2.610 -0.183 -17.91 + CaCO3 1.191e-04 1.194e-04 -3.924 -3.923 0.001 -14.60 + CaHCO3+ 7.058e-05 6.365e-05 -4.151 -4.196 -0.045 122.69 + CaOH+ 4.173e-08 3.742e-08 -7.380 -7.427 -0.047 (0) +H(0) 1.674e-27 + H2 8.369e-28 8.391e-28 -27.077 -27.076 0.001 28.61 +O(0) 1.181e-38 + O2 5.903e-39 5.918e-39 -38.229 -38.228 0.001 30.40 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Aragonite 1.17 -7.17 -8.34 CaCO3 - Calcite 1.31 -7.17 -8.48 CaCO3 - CH4(g) -72.36 -75.16 -2.80 CH4 - CO2(g) -2.33 -3.80 -1.47 CO2 - H2(g) -23.99 -27.09 -3.10 H2 + Aragonite 1.19 -7.15 -8.34 CaCO3 + Calcite 1.33 -7.15 -8.48 CaCO3 + CH4(g) -72.30 -75.10 -2.80 CH4 + CO2(g) -2.32 -3.78 -1.47 CO2 + H2(g) -23.98 -27.08 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - O2(g) -35.31 -38.20 -2.89 O2 + O2(g) -35.34 -38.23 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -192,62 +192,62 @@ Using pure phase assemblage 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Aragonite 0.00 -8.34 -8.34 1.000e+01 9.993e+00 -6.582e-03 -CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.934e-02 +Aragonite 0.00 -8.34 -8.34 1.000e+01 9.994e+00 -5.997e-03 +CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.875e-02 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 5.379e-02 5.378e-02 - Ca 1.051e-02 1.051e-02 + C 5.262e-02 5.261e-02 + Ca 9.930e-03 9.929e-03 ----------------------------Description of solution---------------------------- - pH = 6.064 Charge balance - pe = 11.815 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 1721 - Density (g/cm³) = 0.99872 - Volume (L) = 1.00431 - Viscosity (mPa s) = 0.89965 + pH = 6.058 Charge balance + pe = 11.902 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 1708 + Density (g/cm³) = 0.99860 + Volume (L) = 1.00434 + Viscosity (mPa s) = 0.89962 Activity of water = 0.999 - Ionic strength (mol/kgw) = 2.901e-02 + Ionic strength (mol/kgw) = 2.900e-02 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 2.103e-02 - Total CO2 (mol/kg) = 5.379e-02 + Total alkalinity (eq/kg) = 1.986e-02 + Total CO2 (mol/kg) = 5.262e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.316e-12 + Electrical balance (eq) = 1.002e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 10 Total H = 1.110200e+02 - Total O = 5.562807e+01 + Total O = 5.562514e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 9.847e-07 8.621e-07 -6.007 -6.064 -0.058 0.00 - OH- 1.386e-08 1.173e-08 -7.858 -7.931 -0.073 -3.95 + H+ 9.999e-07 8.753e-07 -6.000 -6.058 -0.058 0.00 + OH- 1.365e-08 1.155e-08 -7.865 -7.937 -0.073 -3.95 H2O 5.551e+01 9.989e-01 1.744 -0.000 0.000 18.07 C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -120.128 -120.125 0.003 35.46 -C(4) 5.379e-02 + CH4 0.000e+00 0.000e+00 -120.774 -120.771 0.003 35.46 +C(4) 5.262e-02 CO2 3.273e-02 3.287e-02 -1.485 -1.483 0.002 34.43 - HCO3- 1.976e-02 1.694e-02 -1.704 -1.771 -0.067 24.73 - CaHCO3+ 1.257e-03 1.082e-03 -2.901 -2.966 -0.065 9.77 + HCO3- 1.946e-02 1.669e-02 -1.711 -1.778 -0.067 24.73 + CaHCO3+ 3.858e-04 3.321e-04 -3.414 -3.479 -0.065 122.73 (CO2)2 1.970e-05 1.984e-05 -4.705 -4.703 0.003 68.87 CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 -14.60 - CO3-2 1.704e-06 9.217e-07 -5.769 -6.035 -0.267 -3.39 -Ca 1.051e-02 - Ca+2 9.251e-03 5.005e-03 -2.034 -2.301 -0.267 -17.74 - CaHCO3+ 1.257e-03 1.082e-03 -2.901 -2.966 -0.065 9.77 + CO3-2 1.652e-06 8.940e-07 -5.782 -6.049 -0.267 -3.39 +Ca 9.930e-03 + Ca+2 9.536e-03 5.160e-03 -2.021 -2.287 -0.267 -17.74 + CaHCO3+ 3.858e-04 3.321e-04 -3.414 -3.479 -0.065 122.73 CaCO3 7.698e-06 7.750e-06 -5.114 -5.111 0.003 -14.60 - CaOH+ 1.130e-09 9.625e-10 -8.947 -9.017 -0.070 (0) -H(0) 2.454e-39 - H2 1.227e-39 1.235e-39 -38.911 -38.908 0.003 28.61 -O(0) 5.417e-15 - O2 2.709e-15 2.727e-15 -14.567 -14.564 0.003 30.40 + CaOH+ 1.148e-09 9.773e-10 -8.940 -9.010 -0.070 (0) +H(0) 1.692e-39 + H2 8.460e-40 8.517e-40 -39.073 -39.070 0.003 28.61 +O(0) 1.139e-14 + O2 5.697e-15 5.735e-15 -14.244 -14.241 0.003 30.40 ------------------------------Saturation indices------------------------------- @@ -255,11 +255,11 @@ O(0) 5.417e-15 Aragonite 0.00 -8.34 -8.34 CaCO3 Calcite 0.14 -8.34 -8.48 CaCO3 - CH4(g) -117.32 -120.13 -2.80 CH4 + CH4(g) -117.97 -120.77 -2.80 CH4 CO2(g) -0.01 -1.48 -1.47 CO2 Pressure 1.0 atm, phi 0.995 - H2(g) -35.81 -38.91 -3.10 H2 + H2(g) -35.97 -39.07 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - O2(g) -11.67 -14.56 -2.89 O2 + O2(g) -11.35 -14.24 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -356,9 +356,9 @@ Reaction step number: 1 SrCO3 added: 1.0000e-05 Log Sigma pi: -8.3356e+00 XAragonite: 9.9996e-01 -XStrontianite: 4.2174e-05 -XCa: 9.9905e-01 -XSr: 9.5081e-04 +XStrontianite: 4.0997e-05 +XCa: 9.9899e-01 +XSr: 1.0068e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -369,9 +369,9 @@ Reaction step number: 2 SrCO3 added: 2.0000e-05 Log Sigma pi: -8.3352e+00 XAragonite: 9.9992e-01 -XStrontianite: 8.4457e-05 -XCa: 9.9810e-01 -XSr: 1.9009e-03 +XStrontianite: 8.2099e-05 +XCa: 9.9799e-01 +XSr: 2.0128e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -380,11 +380,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 3 SrCO3 added: 3.0000e-05 -Log Sigma pi: -8.3348e+00 -XAragonite: 9.9987e-01 -XStrontianite: 1.2685e-04 -XCa: 9.9715e-01 -XSr: 2.8504e-03 +Log Sigma pi: -8.3349e+00 +XAragonite: 9.9988e-01 +XStrontianite: 1.2331e-04 +XCa: 9.9698e-01 +XSr: 3.0181e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -394,10 +394,10 @@ Simulation number: 4 Reaction step number: 4 SrCO3 added: 4.0000e-05 Log Sigma pi: -8.3345e+00 -XAragonite: 9.9983e-01 -XStrontianite: 1.6936e-04 -XCa: 9.9620e-01 -XSr: 3.7992e-03 +XAragonite: 9.9984e-01 +XStrontianite: 1.6462e-04 +XCa: 9.9598e-01 +XSr: 4.0226e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -408,9 +408,9 @@ Reaction step number: 5 SrCO3 added: 5.0000e-05 Log Sigma pi: -8.3341e+00 XAragonite: 9.9979e-01 -XStrontianite: 2.1197e-04 -XCa: 9.9525e-01 -XSr: 4.7473e-03 +XStrontianite: 2.0605e-04 +XCa: 9.9497e-01 +XSr: 5.0263e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -421,9 +421,9 @@ Reaction step number: 6 SrCO3 added: 6.0000e-05 Log Sigma pi: -8.3337e+00 XAragonite: 9.9975e-01 -XStrontianite: 2.5470e-04 -XCa: 9.9431e-01 -XSr: 5.6947e-03 +XStrontianite: 2.4757e-04 +XCa: 9.9397e-01 +XSr: 6.0292e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -432,11 +432,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 7 SrCO3 added: 7.0000e-05 -Log Sigma pi: -8.3333e+00 -XAragonite: 9.9970e-01 -XStrontianite: 2.9754e-04 -XCa: 9.9336e-01 -XSr: 6.6414e-03 +Log Sigma pi: -8.3334e+00 +XAragonite: 9.9971e-01 +XStrontianite: 2.8921e-04 +XCa: 9.9297e-01 +XSr: 7.0313e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -445,11 +445,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 8 SrCO3 added: 8.0000e-05 -Log Sigma pi: -8.3329e+00 -XAragonite: 9.9966e-01 -XStrontianite: 3.4049e-04 -XCa: 9.9241e-01 -XSr: 7.5875e-03 +Log Sigma pi: -8.3330e+00 +XAragonite: 9.9967e-01 +XStrontianite: 3.3096e-04 +XCa: 9.9197e-01 +XSr: 8.0327e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -458,11 +458,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 9 SrCO3 added: 9.0000e-05 -Log Sigma pi: -8.3325e+00 -XAragonite: 9.9962e-01 -XStrontianite: 3.8355e-04 -XCa: 9.9147e-01 -XSr: 8.5329e-03 +Log Sigma pi: -8.3326e+00 +XAragonite: 9.9963e-01 +XStrontianite: 3.7281e-04 +XCa: 9.9097e-01 +XSr: 9.0333e-03 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -471,11 +471,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 10 SrCO3 added: 1.0000e-04 -Log Sigma pi: -8.3321e+00 -XAragonite: 9.9957e-01 -XStrontianite: 4.2673e-04 -XCa: 9.9052e-01 -XSr: 9.4776e-03 +Log Sigma pi: -8.3322e+00 +XAragonite: 9.9959e-01 +XStrontianite: 4.1478e-04 +XCa: 9.8997e-01 +XSr: 1.0033e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -484,11 +484,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 11 SrCO3 added: 1.1000e-04 -Log Sigma pi: -8.3317e+00 -XAragonite: 9.9953e-01 -XStrontianite: 4.7002e-04 -XCa: 9.8958e-01 -XSr: 1.0422e-02 +Log Sigma pi: -8.3319e+00 +XAragonite: 9.9954e-01 +XStrontianite: 4.5685e-04 +XCa: 9.8897e-01 +XSr: 1.1032e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -497,11 +497,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 12 SrCO3 added: 1.2000e-04 -Log Sigma pi: -8.3314e+00 -XAragonite: 9.9949e-01 -XStrontianite: 5.1343e-04 -XCa: 9.8864e-01 -XSr: 1.1365e-02 +Log Sigma pi: -8.3315e+00 +XAragonite: 9.9950e-01 +XStrontianite: 4.9903e-04 +XCa: 9.8797e-01 +XSr: 1.2030e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -510,11 +510,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 13 SrCO3 added: 1.3000e-04 -Log Sigma pi: -8.3310e+00 -XAragonite: 9.9944e-01 -XStrontianite: 5.5695e-04 -XCa: 9.8769e-01 -XSr: 1.2308e-02 +Log Sigma pi: -8.3311e+00 +XAragonite: 9.9946e-01 +XStrontianite: 5.4133e-04 +XCa: 9.8697e-01 +XSr: 1.3028e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -523,11 +523,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 14 SrCO3 added: 1.4000e-04 -Log Sigma pi: -8.3306e+00 -XAragonite: 9.9940e-01 -XStrontianite: 6.0059e-04 -XCa: 9.8675e-01 -XSr: 1.3250e-02 +Log Sigma pi: -8.3307e+00 +XAragonite: 9.9942e-01 +XStrontianite: 5.8373e-04 +XCa: 9.8598e-01 +XSr: 1.4025e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -536,11 +536,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 15 SrCO3 added: 1.5000e-04 -Log Sigma pi: -8.3302e+00 -XAragonite: 9.9936e-01 -XStrontianite: 6.4434e-04 -XCa: 9.8581e-01 -XSr: 1.4191e-02 +Log Sigma pi: -8.3304e+00 +XAragonite: 9.9937e-01 +XStrontianite: 6.2625e-04 +XCa: 9.8498e-01 +XSr: 1.5021e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -549,11 +549,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 16 SrCO3 added: 1.6000e-04 -Log Sigma pi: -8.3298e+00 -XAragonite: 9.9931e-01 -XStrontianite: 6.8821e-04 -XCa: 9.8487e-01 -XSr: 1.5132e-02 +Log Sigma pi: -8.3300e+00 +XAragonite: 9.9933e-01 +XStrontianite: 6.6888e-04 +XCa: 9.8398e-01 +XSr: 1.6016e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -562,11 +562,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 17 SrCO3 added: 1.7000e-04 -Log Sigma pi: -8.3294e+00 -XAragonite: 9.9927e-01 -XStrontianite: 7.3220e-04 -XCa: 9.8393e-01 -XSr: 1.6072e-02 +Log Sigma pi: -8.3296e+00 +XAragonite: 9.9929e-01 +XStrontianite: 7.1162e-04 +XCa: 9.8299e-01 +XSr: 1.7010e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -575,11 +575,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 18 SrCO3 added: 1.8000e-04 -Log Sigma pi: -8.3290e+00 -XAragonite: 9.9922e-01 -XStrontianite: 7.7630e-04 -XCa: 9.8299e-01 -XSr: 1.7011e-02 +Log Sigma pi: -8.3292e+00 +XAragonite: 9.9925e-01 +XStrontianite: 7.5447e-04 +XCa: 9.8200e-01 +XSr: 1.8004e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -588,11 +588,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 19 SrCO3 added: 1.9000e-04 -Log Sigma pi: -8.3286e+00 -XAragonite: 9.9918e-01 -XStrontianite: 8.2052e-04 -XCa: 9.8205e-01 -XSr: 1.7950e-02 +Log Sigma pi: -8.3288e+00 +XAragonite: 9.9920e-01 +XStrontianite: 7.9744e-04 +XCa: 9.8100e-01 +XSr: 1.8997e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -601,11 +601,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 20 SrCO3 added: 2.0000e-04 -Log Sigma pi: -8.3283e+00 -XAragonite: 9.9914e-01 -XStrontianite: 8.6487e-04 -XCa: 9.8111e-01 -XSr: 1.8887e-02 +Log Sigma pi: -8.3285e+00 +XAragonite: 9.9916e-01 +XStrontianite: 8.4052e-04 +XCa: 9.8001e-01 +XSr: 1.9989e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -614,11 +614,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 21 SrCO3 added: 2.1000e-04 -Log Sigma pi: -8.3279e+00 -XAragonite: 9.9909e-01 -XStrontianite: 9.0932e-04 -XCa: 9.8018e-01 -XSr: 1.9825e-02 +Log Sigma pi: -8.3281e+00 +XAragonite: 9.9912e-01 +XStrontianite: 8.8372e-04 +XCa: 9.7902e-01 +XSr: 2.0980e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -627,11 +627,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 22 SrCO3 added: 2.2000e-04 -Log Sigma pi: -8.3275e+00 -XAragonite: 9.9905e-01 -XStrontianite: 9.5390e-04 -XCa: 9.7924e-01 -XSr: 2.0761e-02 +Log Sigma pi: -8.3277e+00 +XAragonite: 9.9907e-01 +XStrontianite: 9.2703e-04 +XCa: 9.7803e-01 +XSr: 2.1970e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -640,11 +640,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 23 SrCO3 added: 2.3000e-04 -Log Sigma pi: -8.3271e+00 -XAragonite: 9.9900e-01 -XStrontianite: 9.9860e-04 -XCa: 9.7830e-01 -XSr: 2.1697e-02 +Log Sigma pi: -8.3273e+00 +XAragonite: 9.9903e-01 +XStrontianite: 9.7045e-04 +XCa: 9.7704e-01 +XSr: 2.2960e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -653,11 +653,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 24 SrCO3 added: 2.4000e-04 -Log Sigma pi: -8.3267e+00 -XAragonite: 9.9896e-01 -XStrontianite: 1.0434e-03 -XCa: 9.7737e-01 -XSr: 2.2633e-02 +Log Sigma pi: -8.3270e+00 +XAragonite: 9.9899e-01 +XStrontianite: 1.0140e-03 +XCa: 9.7605e-01 +XSr: 2.3949e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -666,11 +666,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 25 SrCO3 added: 2.5000e-04 -Log Sigma pi: -8.3263e+00 -XAragonite: 9.9891e-01 -XStrontianite: 1.0884e-03 -XCa: 9.7643e-01 -XSr: 2.3567e-02 +Log Sigma pi: -8.3266e+00 +XAragonite: 9.9894e-01 +XStrontianite: 1.0577e-03 +XCa: 9.7506e-01 +XSr: 2.4937e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -679,11 +679,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 26 SrCO3 added: 2.6000e-04 -Log Sigma pi: -8.3259e+00 -XAragonite: 9.9887e-01 -XStrontianite: 1.1334e-03 -XCa: 9.7550e-01 -XSr: 2.4501e-02 +Log Sigma pi: -8.3262e+00 +XAragonite: 9.9890e-01 +XStrontianite: 1.1014e-03 +XCa: 9.7408e-01 +XSr: 2.5925e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -692,11 +692,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 27 SrCO3 added: 2.7000e-04 -Log Sigma pi: -8.3255e+00 -XAragonite: 9.9882e-01 -XStrontianite: 1.1786e-03 -XCa: 9.7457e-01 -XSr: 2.5434e-02 +Log Sigma pi: -8.3258e+00 +XAragonite: 9.9885e-01 +XStrontianite: 1.1453e-03 +XCa: 9.7309e-01 +XSr: 2.6911e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -705,11 +705,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 28 SrCO3 added: 2.8000e-04 -Log Sigma pi: -8.3252e+00 -XAragonite: 9.9878e-01 -XStrontianite: 1.2239e-03 -XCa: 9.7363e-01 -XSr: 2.6367e-02 +Log Sigma pi: -8.3254e+00 +XAragonite: 9.9881e-01 +XStrontianite: 1.1893e-03 +XCa: 9.7210e-01 +XSr: 2.7897e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -718,11 +718,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 29 SrCO3 added: 2.9000e-04 -Log Sigma pi: -8.3248e+00 -XAragonite: 9.9873e-01 -XStrontianite: 1.2693e-03 -XCa: 9.7270e-01 -XSr: 2.7299e-02 +Log Sigma pi: -8.3251e+00 +XAragonite: 9.9877e-01 +XStrontianite: 1.2335e-03 +XCa: 9.7112e-01 +XSr: 2.8882e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -731,11 +731,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 30 SrCO3 added: 3.0000e-04 -Log Sigma pi: -8.3244e+00 -XAragonite: 9.9869e-01 -XStrontianite: 1.3149e-03 -XCa: 9.7177e-01 -XSr: 2.8230e-02 +Log Sigma pi: -8.3247e+00 +XAragonite: 9.9872e-01 +XStrontianite: 1.2777e-03 +XCa: 9.7013e-01 +XSr: 2.9866e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -744,11 +744,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 31 SrCO3 added: 3.1000e-04 -Log Sigma pi: -8.3240e+00 -XAragonite: 9.9864e-01 -XStrontianite: 1.3606e-03 -XCa: 9.7084e-01 -XSr: 2.9160e-02 +Log Sigma pi: -8.3243e+00 +XAragonite: 9.9868e-01 +XStrontianite: 1.3221e-03 +XCa: 9.6915e-01 +XSr: 3.0850e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -757,11 +757,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 32 SrCO3 added: 3.2000e-04 -Log Sigma pi: -8.3236e+00 -XAragonite: 9.9859e-01 -XStrontianite: 1.4064e-03 -XCa: 9.6991e-01 -XSr: 3.0090e-02 +Log Sigma pi: -8.3239e+00 +XAragonite: 9.9863e-01 +XStrontianite: 1.3666e-03 +XCa: 9.6817e-01 +XSr: 3.1833e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -770,11 +770,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 33 SrCO3 added: 3.3000e-04 -Log Sigma pi: -8.3232e+00 -XAragonite: 9.9855e-01 -XStrontianite: 1.4523e-03 -XCa: 9.6898e-01 -XSr: 3.1019e-02 +Log Sigma pi: -8.3236e+00 +XAragonite: 9.9859e-01 +XStrontianite: 1.4112e-03 +XCa: 9.6719e-01 +XSr: 3.2815e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -783,11 +783,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 34 SrCO3 added: 3.4000e-04 -Log Sigma pi: -8.3228e+00 -XAragonite: 9.9850e-01 -XStrontianite: 1.4984e-03 -XCa: 9.6805e-01 -XSr: 3.1948e-02 +Log Sigma pi: -8.3232e+00 +XAragonite: 9.9854e-01 +XStrontianite: 1.4559e-03 +XCa: 9.6620e-01 +XSr: 3.3796e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -796,11 +796,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 35 SrCO3 added: 3.5000e-04 -Log Sigma pi: -8.3224e+00 -XAragonite: 9.9846e-01 -XStrontianite: 1.5445e-03 -XCa: 9.6712e-01 -XSr: 3.2876e-02 +Log Sigma pi: -8.3228e+00 +XAragonite: 9.9850e-01 +XStrontianite: 1.5007e-03 +XCa: 9.6522e-01 +XSr: 3.4776e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -809,11 +809,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 36 SrCO3 added: 3.6000e-04 -Log Sigma pi: -8.3220e+00 -XAragonite: 9.9841e-01 -XStrontianite: 1.5909e-03 -XCa: 9.6620e-01 -XSr: 3.3803e-02 +Log Sigma pi: -8.3224e+00 +XAragonite: 9.9845e-01 +XStrontianite: 1.5457e-03 +XCa: 9.6424e-01 +XSr: 3.5756e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -822,11 +822,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 37 SrCO3 added: 3.7000e-04 -Log Sigma pi: -8.3217e+00 -XAragonite: 9.9836e-01 -XStrontianite: 1.6373e-03 -XCa: 9.6527e-01 -XSr: 3.4729e-02 +Log Sigma pi: -8.3220e+00 +XAragonite: 9.9841e-01 +XStrontianite: 1.5908e-03 +XCa: 9.6327e-01 +XSr: 3.6735e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -835,11 +835,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 38 SrCO3 added: 3.8000e-04 -Log Sigma pi: -8.3213e+00 -XAragonite: 9.9832e-01 -XStrontianite: 1.6839e-03 -XCa: 9.6435e-01 -XSr: 3.5655e-02 +Log Sigma pi: -8.3217e+00 +XAragonite: 9.9836e-01 +XStrontianite: 1.6360e-03 +XCa: 9.6229e-01 +XSr: 3.7713e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -848,11 +848,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 39 SrCO3 added: 3.9000e-04 -Log Sigma pi: -8.3209e+00 -XAragonite: 9.9827e-01 -XStrontianite: 1.7305e-03 -XCa: 9.6342e-01 -XSr: 3.6580e-02 +Log Sigma pi: -8.3213e+00 +XAragonite: 9.9832e-01 +XStrontianite: 1.6814e-03 +XCa: 9.6131e-01 +XSr: 3.8690e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -861,11 +861,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 40 SrCO3 added: 4.0000e-04 -Log Sigma pi: -8.3205e+00 -XAragonite: 9.9822e-01 -XStrontianite: 1.7774e-03 -XCa: 9.6250e-01 -XSr: 3.7504e-02 +Log Sigma pi: -8.3209e+00 +XAragonite: 9.9827e-01 +XStrontianite: 1.7268e-03 +XCa: 9.6033e-01 +XSr: 3.9667e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -874,11 +874,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 41 SrCO3 added: 4.1000e-04 -Log Sigma pi: -8.3201e+00 -XAragonite: 9.9818e-01 -XStrontianite: 1.8243e-03 -XCa: 9.6157e-01 -XSr: 3.8428e-02 +Log Sigma pi: -8.3205e+00 +XAragonite: 9.9823e-01 +XStrontianite: 1.7724e-03 +XCa: 9.5936e-01 +XSr: 4.0643e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -887,11 +887,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 42 SrCO3 added: 4.2000e-04 -Log Sigma pi: -8.3197e+00 -XAragonite: 9.9813e-01 -XStrontianite: 1.8714e-03 -XCa: 9.6065e-01 -XSr: 3.9351e-02 +Log Sigma pi: -8.3201e+00 +XAragonite: 9.9818e-01 +XStrontianite: 1.8182e-03 +XCa: 9.5838e-01 +XSr: 4.1618e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -900,11 +900,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 43 SrCO3 added: 4.3000e-04 -Log Sigma pi: -8.3193e+00 -XAragonite: 9.9808e-01 -XStrontianite: 1.9186e-03 -XCa: 9.5973e-01 -XSr: 4.0274e-02 +Log Sigma pi: -8.3198e+00 +XAragonite: 9.9814e-01 +XStrontianite: 1.8640e-03 +XCa: 9.5741e-01 +XSr: 4.2592e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -913,11 +913,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 44 SrCO3 added: 4.4000e-04 -Log Sigma pi: -8.3189e+00 -XAragonite: 9.9803e-01 -XStrontianite: 1.9660e-03 -XCa: 9.5880e-01 -XSr: 4.1195e-02 +Log Sigma pi: -8.3194e+00 +XAragonite: 9.9809e-01 +XStrontianite: 1.9100e-03 +XCa: 9.5643e-01 +XSr: 4.3566e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -926,11 +926,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 45 SrCO3 added: 4.5000e-04 -Log Sigma pi: -8.3185e+00 -XAragonite: 9.9799e-01 -XStrontianite: 2.0134e-03 -XCa: 9.5788e-01 -XSr: 4.2117e-02 +Log Sigma pi: -8.3190e+00 +XAragonite: 9.9804e-01 +XStrontianite: 1.9561e-03 +XCa: 9.5546e-01 +XSr: 4.4538e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -939,11 +939,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 46 SrCO3 added: 4.6000e-04 -Log Sigma pi: -8.3182e+00 -XAragonite: 9.9794e-01 -XStrontianite: 2.0611e-03 -XCa: 9.5696e-01 -XSr: 4.3037e-02 +Log Sigma pi: -8.3186e+00 +XAragonite: 9.9800e-01 +XStrontianite: 2.0023e-03 +XCa: 9.5449e-01 +XSr: 4.5510e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -952,11 +952,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 47 SrCO3 added: 4.7000e-04 -Log Sigma pi: -8.3178e+00 -XAragonite: 9.9789e-01 -XStrontianite: 2.1088e-03 -XCa: 9.5604e-01 -XSr: 4.3957e-02 +Log Sigma pi: -8.3183e+00 +XAragonite: 9.9795e-01 +XStrontianite: 2.0486e-03 +XCa: 9.5352e-01 +XSr: 4.6481e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -965,11 +965,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 48 SrCO3 added: 4.8000e-04 -Log Sigma pi: -8.3174e+00 -XAragonite: 9.9784e-01 -XStrontianite: 2.1567e-03 -XCa: 9.5512e-01 -XSr: 4.4876e-02 +Log Sigma pi: -8.3179e+00 +XAragonite: 9.9790e-01 +XStrontianite: 2.0951e-03 +XCa: 9.5255e-01 +XSr: 4.7452e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -978,11 +978,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 49 SrCO3 added: 4.9000e-04 -Log Sigma pi: -8.3170e+00 -XAragonite: 9.9780e-01 -XStrontianite: 2.2047e-03 -XCa: 9.5421e-01 -XSr: 4.5794e-02 +Log Sigma pi: -8.3175e+00 +XAragonite: 9.9786e-01 +XStrontianite: 2.1417e-03 +XCa: 9.5158e-01 +XSr: 4.8422e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -991,11 +991,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 50 SrCO3 added: 5.0000e-04 -Log Sigma pi: -8.3166e+00 -XAragonite: 9.9775e-01 -XStrontianite: 2.2528e-03 -XCa: 9.5329e-01 -XSr: 4.6712e-02 +Log Sigma pi: -8.3171e+00 +XAragonite: 9.9781e-01 +XStrontianite: 2.1885e-03 +XCa: 9.5061e-01 +XSr: 4.9390e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1004,11 +1004,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 51 SrCO3 added: 5.1000e-04 -Log Sigma pi: -8.3162e+00 -XAragonite: 9.9770e-01 -XStrontianite: 2.3011e-03 -XCa: 9.5237e-01 -XSr: 4.7629e-02 +Log Sigma pi: -8.3167e+00 +XAragonite: 9.9776e-01 +XStrontianite: 2.2353e-03 +XCa: 9.4964e-01 +XSr: 5.0358e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1017,11 +1017,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 52 SrCO3 added: 5.2000e-04 -Log Sigma pi: -8.3158e+00 -XAragonite: 9.9765e-01 -XStrontianite: 2.3496e-03 -XCa: 9.5146e-01 -XSr: 4.8545e-02 +Log Sigma pi: -8.3164e+00 +XAragonite: 9.9772e-01 +XStrontianite: 2.2823e-03 +XCa: 9.4867e-01 +XSr: 5.1326e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1030,11 +1030,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 53 SrCO3 added: 5.3000e-04 -Log Sigma pi: -8.3154e+00 -XAragonite: 9.9760e-01 -XStrontianite: 2.3981e-03 -XCa: 9.5054e-01 -XSr: 4.9461e-02 +Log Sigma pi: -8.3160e+00 +XAragonite: 9.9767e-01 +XStrontianite: 2.3295e-03 +XCa: 9.4771e-01 +XSr: 5.2292e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1043,11 +1043,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 54 SrCO3 added: 5.4000e-04 -Log Sigma pi: -8.3150e+00 -XAragonite: 9.9755e-01 -XStrontianite: 2.4468e-03 -XCa: 9.4962e-01 -XSr: 5.0376e-02 +Log Sigma pi: -8.3156e+00 +XAragonite: 9.9762e-01 +XStrontianite: 2.3767e-03 +XCa: 9.4674e-01 +XSr: 5.3258e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1056,11 +1056,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 55 SrCO3 added: 5.5000e-04 -Log Sigma pi: -8.3146e+00 -XAragonite: 9.9750e-01 -XStrontianite: 2.4956e-03 -XCa: 9.4871e-01 -XSr: 5.1290e-02 +Log Sigma pi: -8.3152e+00 +XAragonite: 9.9758e-01 +XStrontianite: 2.4241e-03 +XCa: 9.4578e-01 +XSr: 5.4223e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1069,11 +1069,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 56 SrCO3 added: 5.6000e-04 -Log Sigma pi: -8.3143e+00 -XAragonite: 9.9746e-01 -XStrontianite: 2.5446e-03 -XCa: 9.4780e-01 -XSr: 5.2204e-02 +Log Sigma pi: -8.3148e+00 +XAragonite: 9.9753e-01 +XStrontianite: 2.4717e-03 +XCa: 9.4481e-01 +XSr: 5.5187e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1082,11 +1082,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 57 SrCO3 added: 5.7000e-04 -Log Sigma pi: -8.3139e+00 -XAragonite: 9.9741e-01 -XStrontianite: 2.5937e-03 -XCa: 9.4688e-01 -XSr: 5.3117e-02 +Log Sigma pi: -8.3145e+00 +XAragonite: 9.9748e-01 +XStrontianite: 2.5193e-03 +XCa: 9.4385e-01 +XSr: 5.6151e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1095,11 +1095,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 58 SrCO3 added: 5.8000e-04 -Log Sigma pi: -8.3135e+00 -XAragonite: 9.9736e-01 -XStrontianite: 2.6430e-03 -XCa: 9.4597e-01 -XSr: 5.4029e-02 +Log Sigma pi: -8.3141e+00 +XAragonite: 9.9743e-01 +XStrontianite: 2.5671e-03 +XCa: 9.4289e-01 +XSr: 5.7114e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1108,11 +1108,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 59 SrCO3 added: 5.9000e-04 -Log Sigma pi: -8.3131e+00 -XAragonite: 9.9731e-01 -XStrontianite: 2.6924e-03 -XCa: 9.4506e-01 -XSr: 5.4940e-02 +Log Sigma pi: -8.3137e+00 +XAragonite: 9.9738e-01 +XStrontianite: 2.6151e-03 +XCa: 9.4192e-01 +XSr: 5.8076e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1121,11 +1121,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 60 SrCO3 added: 6.0000e-04 -Log Sigma pi: -8.3127e+00 -XAragonite: 9.9726e-01 -XStrontianite: 2.7419e-03 -XCa: 9.4415e-01 -XSr: 5.5851e-02 +Log Sigma pi: -8.3133e+00 +XAragonite: 9.9734e-01 +XStrontianite: 2.6631e-03 +XCa: 9.4096e-01 +XSr: 5.9037e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1134,11 +1134,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 61 SrCO3 added: 6.1000e-04 -Log Sigma pi: -8.3123e+00 -XAragonite: 9.9721e-01 -XStrontianite: 2.7916e-03 -XCa: 9.4324e-01 -XSr: 5.6762e-02 +Log Sigma pi: -8.3129e+00 +XAragonite: 9.9729e-01 +XStrontianite: 2.7114e-03 +XCa: 9.4000e-01 +XSr: 5.9997e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1147,11 +1147,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 62 SrCO3 added: 6.2000e-04 -Log Sigma pi: -8.3119e+00 -XAragonite: 9.9716e-01 -XStrontianite: 2.8414e-03 -XCa: 9.4233e-01 -XSr: 5.7671e-02 +Log Sigma pi: -8.3126e+00 +XAragonite: 9.9724e-01 +XStrontianite: 2.7597e-03 +XCa: 9.3904e-01 +XSr: 6.0957e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1160,11 +1160,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 63 SrCO3 added: 6.3000e-04 -Log Sigma pi: -8.3115e+00 -XAragonite: 9.9711e-01 -XStrontianite: 2.8914e-03 -XCa: 9.4142e-01 -XSr: 5.8580e-02 +Log Sigma pi: -8.3122e+00 +XAragonite: 9.9719e-01 +XStrontianite: 2.8082e-03 +XCa: 9.3808e-01 +XSr: 6.1916e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1173,11 +1173,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 64 SrCO3 added: 6.4000e-04 -Log Sigma pi: -8.3111e+00 -XAragonite: 9.9706e-01 -XStrontianite: 2.9415e-03 -XCa: 9.4051e-01 -XSr: 5.9488e-02 +Log Sigma pi: -8.3118e+00 +XAragonite: 9.9714e-01 +XStrontianite: 2.8568e-03 +XCa: 9.3713e-01 +XSr: 6.2874e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1186,11 +1186,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 65 SrCO3 added: 6.5000e-04 -Log Sigma pi: -8.3107e+00 -XAragonite: 9.9701e-01 -XStrontianite: 2.9918e-03 -XCa: 9.3960e-01 -XSr: 6.0396e-02 +Log Sigma pi: -8.3114e+00 +XAragonite: 9.9709e-01 +XStrontianite: 2.9056e-03 +XCa: 9.3617e-01 +XSr: 6.3831e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1199,11 +1199,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 66 SrCO3 added: 6.6000e-04 -Log Sigma pi: -8.3104e+00 -XAragonite: 9.9696e-01 -XStrontianite: 3.0422e-03 -XCa: 9.3870e-01 -XSr: 6.1303e-02 +Log Sigma pi: -8.3110e+00 +XAragonite: 9.9705e-01 +XStrontianite: 2.9545e-03 +XCa: 9.3521e-01 +XSr: 6.4788e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1212,11 +1212,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 67 SrCO3 added: 6.7000e-04 -Log Sigma pi: -8.3100e+00 -XAragonite: 9.9691e-01 -XStrontianite: 3.0927e-03 -XCa: 9.3779e-01 -XSr: 6.2209e-02 +Log Sigma pi: -8.3106e+00 +XAragonite: 9.9700e-01 +XStrontianite: 3.0035e-03 +XCa: 9.3426e-01 +XSr: 6.5743e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1225,11 +1225,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 68 SrCO3 added: 6.8000e-04 -Log Sigma pi: -8.3096e+00 -XAragonite: 9.9686e-01 -XStrontianite: 3.1434e-03 -XCa: 9.3689e-01 -XSr: 6.3115e-02 +Log Sigma pi: -8.3103e+00 +XAragonite: 9.9695e-01 +XStrontianite: 3.0527e-03 +XCa: 9.3330e-01 +XSr: 6.6698e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1238,11 +1238,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 69 SrCO3 added: 6.9000e-04 -Log Sigma pi: -8.3092e+00 -XAragonite: 9.9681e-01 -XStrontianite: 3.1943e-03 -XCa: 9.3598e-01 -XSr: 6.4019e-02 +Log Sigma pi: -8.3099e+00 +XAragonite: 9.9690e-01 +XStrontianite: 3.1020e-03 +XCa: 9.3235e-01 +XSr: 6.7653e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1251,11 +1251,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 70 SrCO3 added: 7.0000e-04 -Log Sigma pi: -8.3088e+00 -XAragonite: 9.9675e-01 -XStrontianite: 3.2453e-03 -XCa: 9.3508e-01 -XSr: 6.4924e-02 +Log Sigma pi: -8.3095e+00 +XAragonite: 9.9685e-01 +XStrontianite: 3.1515e-03 +XCa: 9.3139e-01 +XSr: 6.8606e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1264,11 +1264,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 71 SrCO3 added: 7.1000e-04 -Log Sigma pi: -8.3084e+00 -XAragonite: 9.9670e-01 -XStrontianite: 3.2964e-03 -XCa: 9.3417e-01 -XSr: 6.5827e-02 +Log Sigma pi: -8.3091e+00 +XAragonite: 9.9680e-01 +XStrontianite: 3.2011e-03 +XCa: 9.3044e-01 +XSr: 6.9559e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1277,11 +1277,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 72 SrCO3 added: 7.2000e-04 -Log Sigma pi: -8.3080e+00 -XAragonite: 9.9665e-01 -XStrontianite: 3.3477e-03 -XCa: 9.3327e-01 -XSr: 6.6730e-02 +Log Sigma pi: -8.3087e+00 +XAragonite: 9.9675e-01 +XStrontianite: 3.2509e-03 +XCa: 9.2949e-01 +XSr: 7.0511e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1290,11 +1290,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 73 SrCO3 added: 7.3000e-04 -Log Sigma pi: -8.3076e+00 -XAragonite: 9.9660e-01 -XStrontianite: 3.3992e-03 -XCa: 9.3237e-01 -XSr: 6.7632e-02 +Log Sigma pi: -8.3084e+00 +XAragonite: 9.9670e-01 +XStrontianite: 3.3008e-03 +XCa: 9.2854e-01 +XSr: 7.1462e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1303,11 +1303,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 74 SrCO3 added: 7.4000e-04 -Log Sigma pi: -8.3072e+00 -XAragonite: 9.9655e-01 -XStrontianite: 3.4508e-03 -XCa: 9.3147e-01 -XSr: 6.8534e-02 +Log Sigma pi: -8.3080e+00 +XAragonite: 9.9665e-01 +XStrontianite: 3.3508e-03 +XCa: 9.2759e-01 +XSr: 7.2412e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1316,11 +1316,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 75 SrCO3 added: 7.5000e-04 -Log Sigma pi: -8.3068e+00 -XAragonite: 9.9650e-01 -XStrontianite: 3.5025e-03 -XCa: 9.3057e-01 -XSr: 6.9434e-02 +Log Sigma pi: -8.3076e+00 +XAragonite: 9.9660e-01 +XStrontianite: 3.4010e-03 +XCa: 9.2664e-01 +XSr: 7.3362e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1329,11 +1329,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 76 SrCO3 added: 7.6000e-04 -Log Sigma pi: -8.3064e+00 -XAragonite: 9.9645e-01 -XStrontianite: 3.5544e-03 -XCa: 9.2967e-01 -XSr: 7.0335e-02 +Log Sigma pi: -8.3072e+00 +XAragonite: 9.9655e-01 +XStrontianite: 3.4514e-03 +XCa: 9.2569e-01 +XSr: 7.4311e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1342,11 +1342,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 77 SrCO3 added: 7.7000e-04 -Log Sigma pi: -8.3061e+00 -XAragonite: 9.9639e-01 -XStrontianite: 3.6065e-03 -XCa: 9.2877e-01 -XSr: 7.1234e-02 +Log Sigma pi: -8.3068e+00 +XAragonite: 9.9650e-01 +XStrontianite: 3.5018e-03 +XCa: 9.2474e-01 +XSr: 7.5259e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1355,11 +1355,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 78 SrCO3 added: 7.8000e-04 -Log Sigma pi: -8.3057e+00 -XAragonite: 9.9634e-01 -XStrontianite: 3.6587e-03 -XCa: 9.2787e-01 -XSr: 7.2133e-02 +Log Sigma pi: -8.3065e+00 +XAragonite: 9.9645e-01 +XStrontianite: 3.5525e-03 +XCa: 9.2379e-01 +XSr: 7.6206e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1368,11 +1368,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 79 SrCO3 added: 7.9000e-04 -Log Sigma pi: -8.3053e+00 -XAragonite: 9.9629e-01 -XStrontianite: 3.7111e-03 -XCa: 9.2697e-01 -XSr: 7.3031e-02 +Log Sigma pi: -8.3061e+00 +XAragonite: 9.9640e-01 +XStrontianite: 3.6033e-03 +XCa: 9.2285e-01 +XSr: 7.7153e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1381,11 +1381,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 80 SrCO3 added: 8.0000e-04 -Log Sigma pi: -8.3049e+00 -XAragonite: 9.9624e-01 -XStrontianite: 3.7636e-03 -XCa: 9.2607e-01 -XSr: 7.3928e-02 +Log Sigma pi: -8.3057e+00 +XAragonite: 9.9635e-01 +XStrontianite: 3.6542e-03 +XCa: 9.2190e-01 +XSr: 7.8099e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1394,11 +1394,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 81 SrCO3 added: 8.1000e-04 -Log Sigma pi: -8.3045e+00 -XAragonite: 9.9618e-01 -XStrontianite: 3.8163e-03 -XCa: 9.2517e-01 -XSr: 7.4825e-02 +Log Sigma pi: -8.3053e+00 +XAragonite: 9.9629e-01 +XStrontianite: 3.7053e-03 +XCa: 9.2096e-01 +XSr: 7.9044e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1407,11 +1407,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 82 SrCO3 added: 8.2000e-04 -Log Sigma pi: -8.3041e+00 -XAragonite: 9.9613e-01 -XStrontianite: 3.8691e-03 -XCa: 9.2428e-01 -XSr: 7.5721e-02 +Log Sigma pi: -8.3049e+00 +XAragonite: 9.9624e-01 +XStrontianite: 3.7565e-03 +XCa: 9.2001e-01 +XSr: 7.9988e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1420,11 +1420,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 83 SrCO3 added: 8.3000e-04 -Log Sigma pi: -8.3037e+00 -XAragonite: 9.9608e-01 -XStrontianite: 3.9221e-03 -XCa: 9.2338e-01 -XSr: 7.6617e-02 +Log Sigma pi: -8.3045e+00 +XAragonite: 9.9619e-01 +XStrontianite: 3.8079e-03 +XCa: 9.1907e-01 +XSr: 8.0931e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1433,11 +1433,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 84 SrCO3 added: 8.4000e-04 -Log Sigma pi: -8.3033e+00 -XAragonite: 9.9602e-01 -XStrontianite: 3.9753e-03 -XCa: 9.2249e-01 -XSr: 7.7511e-02 +Log Sigma pi: -8.3042e+00 +XAragonite: 9.9614e-01 +XStrontianite: 3.8595e-03 +XCa: 9.1813e-01 +XSr: 8.1874e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1446,11 +1446,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 85 SrCO3 added: 8.5000e-04 -Log Sigma pi: -8.3029e+00 -XAragonite: 9.9597e-01 -XStrontianite: 4.0286e-03 -XCa: 9.2159e-01 -XSr: 7.8406e-02 +Log Sigma pi: -8.3038e+00 +XAragonite: 9.9609e-01 +XStrontianite: 3.9111e-03 +XCa: 9.1718e-01 +XSr: 8.2816e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1459,11 +1459,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 86 SrCO3 added: 8.6000e-04 -Log Sigma pi: -8.3025e+00 -XAragonite: 9.9592e-01 -XStrontianite: 4.0821e-03 -XCa: 9.2070e-01 -XSr: 7.9299e-02 +Log Sigma pi: -8.3034e+00 +XAragonite: 9.9604e-01 +XStrontianite: 3.9630e-03 +XCa: 9.1624e-01 +XSr: 8.3757e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1472,11 +1472,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 87 SrCO3 added: 8.7000e-04 -Log Sigma pi: -8.3021e+00 -XAragonite: 9.9586e-01 -XStrontianite: 4.1358e-03 -XCa: 9.1981e-01 -XSr: 8.0192e-02 +Log Sigma pi: -8.3030e+00 +XAragonite: 9.9599e-01 +XStrontianite: 4.0150e-03 +XCa: 9.1530e-01 +XSr: 8.4698e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1485,11 +1485,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 88 SrCO3 added: 8.8000e-04 -Log Sigma pi: -8.3017e+00 -XAragonite: 9.9581e-01 -XStrontianite: 4.1896e-03 -XCa: 9.1892e-01 -XSr: 8.1084e-02 +Log Sigma pi: -8.3026e+00 +XAragonite: 9.9593e-01 +XStrontianite: 4.0672e-03 +XCa: 9.1436e-01 +XSr: 8.5638e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1498,11 +1498,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 89 SrCO3 added: 8.9000e-04 -Log Sigma pi: -8.3014e+00 -XAragonite: 9.9576e-01 -XStrontianite: 4.2435e-03 -XCa: 9.1802e-01 -XSr: 8.1975e-02 +Log Sigma pi: -8.3023e+00 +XAragonite: 9.9588e-01 +XStrontianite: 4.1195e-03 +XCa: 9.1342e-01 +XSr: 8.6576e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1511,11 +1511,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 90 SrCO3 added: 9.0000e-04 -Log Sigma pi: -8.3010e+00 -XAragonite: 9.9570e-01 -XStrontianite: 4.2977e-03 -XCa: 9.1713e-01 -XSr: 8.2866e-02 +Log Sigma pi: -8.3019e+00 +XAragonite: 9.9583e-01 +XStrontianite: 4.1719e-03 +XCa: 9.1249e-01 +XSr: 8.7515e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1524,11 +1524,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 91 SrCO3 added: 9.1000e-04 -Log Sigma pi: -8.3006e+00 -XAragonite: 9.9565e-01 -XStrontianite: 4.3520e-03 -XCa: 9.1624e-01 -XSr: 8.3756e-02 +Log Sigma pi: -8.3015e+00 +XAragonite: 9.9578e-01 +XStrontianite: 4.2246e-03 +XCa: 9.1155e-01 +XSr: 8.8452e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1537,11 +1537,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 92 SrCO3 added: 9.2000e-04 -Log Sigma pi: -8.3002e+00 -XAragonite: 9.9559e-01 -XStrontianite: 4.4064e-03 -XCa: 9.1535e-01 -XSr: 8.4645e-02 +Log Sigma pi: -8.3011e+00 +XAragonite: 9.9572e-01 +XStrontianite: 4.2774e-03 +XCa: 9.1061e-01 +XSr: 8.9389e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1550,11 +1550,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 93 SrCO3 added: 9.3000e-04 -Log Sigma pi: -8.2998e+00 -XAragonite: 9.9554e-01 -XStrontianite: 4.4611e-03 -XCa: 9.1447e-01 -XSr: 8.5534e-02 +Log Sigma pi: -8.3007e+00 +XAragonite: 9.9567e-01 +XStrontianite: 4.3303e-03 +XCa: 9.0968e-01 +XSr: 9.0324e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1563,11 +1563,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 94 SrCO3 added: 9.4000e-04 -Log Sigma pi: -8.2994e+00 -XAragonite: 9.9548e-01 -XStrontianite: 4.5159e-03 -XCa: 9.1358e-01 -XSr: 8.6422e-02 +Log Sigma pi: -8.3003e+00 +XAragonite: 9.9562e-01 +XStrontianite: 4.3834e-03 +XCa: 9.0874e-01 +XSr: 9.1260e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1576,11 +1576,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 95 SrCO3 added: 9.5000e-04 -Log Sigma pi: -8.2990e+00 -XAragonite: 9.9543e-01 -XStrontianite: 4.5708e-03 -XCa: 9.1269e-01 -XSr: 8.7309e-02 +Log Sigma pi: -8.3000e+00 +XAragonite: 9.9556e-01 +XStrontianite: 4.4367e-03 +XCa: 9.0781e-01 +XSr: 9.2194e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1589,11 +1589,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 96 SrCO3 added: 9.6000e-04 -Log Sigma pi: -8.2986e+00 -XAragonite: 9.9537e-01 -XStrontianite: 4.6260e-03 -XCa: 9.1180e-01 -XSr: 8.8196e-02 +Log Sigma pi: -8.2996e+00 +XAragonite: 9.9551e-01 +XStrontianite: 4.4901e-03 +XCa: 9.0687e-01 +XSr: 9.3127e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1602,11 +1602,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 97 SrCO3 added: 9.7000e-04 -Log Sigma pi: -8.2982e+00 -XAragonite: 9.9532e-01 -XStrontianite: 4.6813e-03 -XCa: 9.1092e-01 -XSr: 8.9082e-02 +Log Sigma pi: -8.2992e+00 +XAragonite: 9.9546e-01 +XStrontianite: 4.5437e-03 +XCa: 9.0594e-01 +XSr: 9.4060e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1615,11 +1615,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 98 SrCO3 added: 9.8000e-04 -Log Sigma pi: -8.2978e+00 -XAragonite: 9.9526e-01 -XStrontianite: 4.7368e-03 -XCa: 9.1003e-01 -XSr: 8.9967e-02 +Log Sigma pi: -8.2988e+00 +XAragonite: 9.9540e-01 +XStrontianite: 4.5975e-03 +XCa: 9.0501e-01 +XSr: 9.4992e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1628,11 +1628,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 99 SrCO3 added: 9.9000e-04 -Log Sigma pi: -8.2974e+00 -XAragonite: 9.9521e-01 -XStrontianite: 4.7924e-03 -XCa: 9.0915e-01 -XSr: 9.0852e-02 +Log Sigma pi: -8.2984e+00 +XAragonite: 9.9535e-01 +XStrontianite: 4.6514e-03 +XCa: 9.0408e-01 +XSr: 9.5924e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1641,11 +1641,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 100 SrCO3 added: 1.0000e-03 -Log Sigma pi: -8.2974e+00 -XAragonite: 9.8284e-01 -XStrontianite: 1.7161e-02 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +Log Sigma pi: -8.2980e+00 +XAragonite: 9.9529e-01 +XStrontianite: 4.7055e-03 +XCa: 9.0315e-01 +XSr: 9.6854e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1654,11 +1654,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 101 SrCO3 added: 1.0100e-03 -Log Sigma pi: -8.2974e+00 -XAragonite: 9.6795e-01 -XStrontianite: 3.2055e-02 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +Log Sigma pi: -8.2977e+00 +XAragonite: 9.9524e-01 +XStrontianite: 4.7598e-03 +XCa: 9.0222e-01 +XSr: 9.7784e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1668,10 +1668,10 @@ Simulation number: 4 Reaction step number: 102 SrCO3 added: 1.0200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 9.5350e-01 -XStrontianite: 4.6504e-02 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 9.9210e-01 +XStrontianite: 7.9009e-03 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1681,10 +1681,10 @@ Simulation number: 4 Reaction step number: 103 SrCO3 added: 1.0300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 9.3947e-01 -XStrontianite: 6.0528e-02 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 9.7702e-01 +XStrontianite: 2.2983e-02 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1694,10 +1694,10 @@ Simulation number: 4 Reaction step number: 104 SrCO3 added: 1.0400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 9.2585e-01 -XStrontianite: 7.4146e-02 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 9.6239e-01 +XStrontianite: 3.7613e-02 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1707,10 +1707,10 @@ Simulation number: 4 Reaction step number: 105 SrCO3 added: 1.0500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 9.1263e-01 -XStrontianite: 8.7374e-02 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 9.4819e-01 +XStrontianite: 5.1812e-02 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1720,10 +1720,10 @@ Simulation number: 4 Reaction step number: 106 SrCO3 added: 1.0600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.9977e-01 -XStrontianite: 1.0023e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 9.3440e-01 +XStrontianite: 6.5598e-02 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1733,10 +1733,10 @@ Simulation number: 4 Reaction step number: 107 SrCO3 added: 1.0700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.8727e-01 -XStrontianite: 1.1273e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 9.2101e-01 +XStrontianite: 7.8988e-02 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1746,10 +1746,10 @@ Simulation number: 4 Reaction step number: 108 SrCO3 added: 1.0800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.7512e-01 -XStrontianite: 1.2488e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 9.0800e-01 +XStrontianite: 9.2000e-02 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1759,10 +1759,10 @@ Simulation number: 4 Reaction step number: 109 SrCO3 added: 1.0900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.6329e-01 -XStrontianite: 1.3671e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.9535e-01 +XStrontianite: 1.0465e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1772,10 +1772,10 @@ Simulation number: 4 Reaction step number: 110 SrCO3 added: 1.1000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.5178e-01 -XStrontianite: 1.4822e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.8305e-01 +XStrontianite: 1.1695e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1785,10 +1785,10 @@ Simulation number: 4 Reaction step number: 111 SrCO3 added: 1.1100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.4057e-01 -XStrontianite: 1.5943e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.7108e-01 +XStrontianite: 1.2892e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1798,10 +1798,10 @@ Simulation number: 4 Reaction step number: 112 SrCO3 added: 1.1200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.2965e-01 -XStrontianite: 1.7035e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.5943e-01 +XStrontianite: 1.4057e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1811,10 +1811,10 @@ Simulation number: 4 Reaction step number: 113 SrCO3 added: 1.1300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.1901e-01 -XStrontianite: 1.8099e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.4809e-01 +XStrontianite: 1.5191e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1824,10 +1824,10 @@ Simulation number: 4 Reaction step number: 114 SrCO3 added: 1.1400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 8.0864e-01 -XStrontianite: 1.9136e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.3704e-01 +XStrontianite: 1.6296e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1837,10 +1837,10 @@ Simulation number: 4 Reaction step number: 115 SrCO3 added: 1.1500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.9853e-01 -XStrontianite: 2.0147e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.2628e-01 +XStrontianite: 1.7372e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1850,10 +1850,10 @@ Simulation number: 4 Reaction step number: 116 SrCO3 added: 1.1600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.8867e-01 -XStrontianite: 2.1133e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.1579e-01 +XStrontianite: 1.8421e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1863,10 +1863,10 @@ Simulation number: 4 Reaction step number: 117 SrCO3 added: 1.1700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.7905e-01 -XStrontianite: 2.2095e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 8.0557e-01 +XStrontianite: 1.9443e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1876,10 +1876,10 @@ Simulation number: 4 Reaction step number: 118 SrCO3 added: 1.1800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.6967e-01 -XStrontianite: 2.3033e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.9560e-01 +XStrontianite: 2.0440e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1889,10 +1889,10 @@ Simulation number: 4 Reaction step number: 119 SrCO3 added: 1.1900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.6050e-01 -XStrontianite: 2.3950e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.8587e-01 +XStrontianite: 2.1413e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1902,10 +1902,10 @@ Simulation number: 4 Reaction step number: 120 SrCO3 added: 1.2000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.5155e-01 -XStrontianite: 2.4845e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.7637e-01 +XStrontianite: 2.2363e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1915,10 +1915,10 @@ Simulation number: 4 Reaction step number: 121 SrCO3 added: 1.2100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.4281e-01 -XStrontianite: 2.5719e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.6711e-01 +XStrontianite: 2.3289e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1928,10 +1928,10 @@ Simulation number: 4 Reaction step number: 122 SrCO3 added: 1.2200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.3428e-01 -XStrontianite: 2.6572e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.5806e-01 +XStrontianite: 2.4194e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1941,10 +1941,10 @@ Simulation number: 4 Reaction step number: 123 SrCO3 added: 1.2300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.2593e-01 -XStrontianite: 2.7407e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.4922e-01 +XStrontianite: 2.5078e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1954,10 +1954,10 @@ Simulation number: 4 Reaction step number: 124 SrCO3 added: 1.2400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.1777e-01 -XStrontianite: 2.8223e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.4059e-01 +XStrontianite: 2.5941e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1967,10 +1967,10 @@ Simulation number: 4 Reaction step number: 125 SrCO3 added: 1.2500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.0980e-01 -XStrontianite: 2.9020e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.3215e-01 +XStrontianite: 2.6785e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1980,10 +1980,10 @@ Simulation number: 4 Reaction step number: 126 SrCO3 added: 1.2600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 7.0200e-01 -XStrontianite: 2.9800e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.2390e-01 +XStrontianite: 2.7610e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -1993,10 +1993,10 @@ Simulation number: 4 Reaction step number: 127 SrCO3 added: 1.2700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.9436e-01 -XStrontianite: 3.0564e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.1584e-01 +XStrontianite: 2.8416e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2006,10 +2006,10 @@ Simulation number: 4 Reaction step number: 128 SrCO3 added: 1.2800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.8690e-01 -XStrontianite: 3.1310e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.0796e-01 +XStrontianite: 2.9204e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2019,10 +2019,10 @@ Simulation number: 4 Reaction step number: 129 SrCO3 added: 1.2900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.7959e-01 -XStrontianite: 3.2041e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 7.0024e-01 +XStrontianite: 2.9976e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2032,10 +2032,10 @@ Simulation number: 4 Reaction step number: 130 SrCO3 added: 1.3000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.7243e-01 -XStrontianite: 3.2757e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.9270e-01 +XStrontianite: 3.0730e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2045,10 +2045,10 @@ Simulation number: 4 Reaction step number: 131 SrCO3 added: 1.3100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.6543e-01 -XStrontianite: 3.3457e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.8531e-01 +XStrontianite: 3.1469e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2058,10 +2058,10 @@ Simulation number: 4 Reaction step number: 132 SrCO3 added: 1.3200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.5857e-01 -XStrontianite: 3.4143e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.7808e-01 +XStrontianite: 3.2192e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2071,10 +2071,10 @@ Simulation number: 4 Reaction step number: 133 SrCO3 added: 1.3300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.5185e-01 -XStrontianite: 3.4815e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.7100e-01 +XStrontianite: 3.2900e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2084,10 +2084,10 @@ Simulation number: 4 Reaction step number: 134 SrCO3 added: 1.3400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.4526e-01 -XStrontianite: 3.5474e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.6407e-01 +XStrontianite: 3.3593e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2097,10 +2097,10 @@ Simulation number: 4 Reaction step number: 135 SrCO3 added: 1.3500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.3881e-01 -XStrontianite: 3.6119e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.5727e-01 +XStrontianite: 3.4273e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2110,10 +2110,10 @@ Simulation number: 4 Reaction step number: 136 SrCO3 added: 1.3600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.3248e-01 -XStrontianite: 3.6752e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.5062e-01 +XStrontianite: 3.4938e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2123,10 +2123,10 @@ Simulation number: 4 Reaction step number: 137 SrCO3 added: 1.3700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.2628e-01 -XStrontianite: 3.7372e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.4410e-01 +XStrontianite: 3.5590e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2136,10 +2136,10 @@ Simulation number: 4 Reaction step number: 138 SrCO3 added: 1.3800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.2020e-01 -XStrontianite: 3.7980e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.3771e-01 +XStrontianite: 3.6229e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2149,10 +2149,10 @@ Simulation number: 4 Reaction step number: 139 SrCO3 added: 1.3900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.1424e-01 -XStrontianite: 3.8576e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.3144e-01 +XStrontianite: 3.6856e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2162,10 +2162,10 @@ Simulation number: 4 Reaction step number: 140 SrCO3 added: 1.4000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.0839e-01 -XStrontianite: 3.9161e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.2530e-01 +XStrontianite: 3.7470e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2175,10 +2175,10 @@ Simulation number: 4 Reaction step number: 141 SrCO3 added: 1.4100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 6.0265e-01 -XStrontianite: 3.9735e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.1927e-01 +XStrontianite: 3.8073e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2188,10 +2188,10 @@ Simulation number: 4 Reaction step number: 142 SrCO3 added: 1.4200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.9701e-01 -XStrontianite: 4.0299e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.1336e-01 +XStrontianite: 3.8664e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2201,10 +2201,10 @@ Simulation number: 4 Reaction step number: 143 SrCO3 added: 1.4300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.9149e-01 -XStrontianite: 4.0851e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.0757e-01 +XStrontianite: 3.9243e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2214,10 +2214,10 @@ Simulation number: 4 Reaction step number: 144 SrCO3 added: 1.4400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.8606e-01 -XStrontianite: 4.1394e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 6.0188e-01 +XStrontianite: 3.9812e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2227,10 +2227,10 @@ Simulation number: 4 Reaction step number: 145 SrCO3 added: 1.4500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.8073e-01 -XStrontianite: 4.1927e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.9629e-01 +XStrontianite: 4.0371e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2240,10 +2240,10 @@ Simulation number: 4 Reaction step number: 146 SrCO3 added: 1.4600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.7550e-01 -XStrontianite: 4.2450e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.9081e-01 +XStrontianite: 4.0919e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2253,10 +2253,10 @@ Simulation number: 4 Reaction step number: 147 SrCO3 added: 1.4700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.7036e-01 -XStrontianite: 4.2964e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.8543e-01 +XStrontianite: 4.1457e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2266,10 +2266,10 @@ Simulation number: 4 Reaction step number: 148 SrCO3 added: 1.4800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.6531e-01 -XStrontianite: 4.3469e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.8014e-01 +XStrontianite: 4.1986e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2279,10 +2279,10 @@ Simulation number: 4 Reaction step number: 149 SrCO3 added: 1.4900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.6035e-01 -XStrontianite: 4.3965e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.7495e-01 +XStrontianite: 4.2505e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2292,10 +2292,10 @@ Simulation number: 4 Reaction step number: 150 SrCO3 added: 1.5000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.5548e-01 -XStrontianite: 4.4452e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.6986e-01 +XStrontianite: 4.3014e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2305,10 +2305,10 @@ Simulation number: 4 Reaction step number: 151 SrCO3 added: 1.5100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.5069e-01 -XStrontianite: 4.4931e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.6485e-01 +XStrontianite: 4.3515e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2318,10 +2318,10 @@ Simulation number: 4 Reaction step number: 152 SrCO3 added: 1.5200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.4598e-01 -XStrontianite: 4.5402e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.5993e-01 +XStrontianite: 4.4007e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2331,10 +2331,10 @@ Simulation number: 4 Reaction step number: 153 SrCO3 added: 1.5300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.4136e-01 -XStrontianite: 4.5864e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.5509e-01 +XStrontianite: 4.4491e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2344,10 +2344,10 @@ Simulation number: 4 Reaction step number: 154 SrCO3 added: 1.5400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.3681e-01 -XStrontianite: 4.6319e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.5034e-01 +XStrontianite: 4.4966e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2357,10 +2357,10 @@ Simulation number: 4 Reaction step number: 155 SrCO3 added: 1.5500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.3233e-01 -XStrontianite: 4.6767e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.4566e-01 +XStrontianite: 4.5434e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2370,10 +2370,10 @@ Simulation number: 4 Reaction step number: 156 SrCO3 added: 1.5600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.2793e-01 -XStrontianite: 4.7207e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.4107e-01 +XStrontianite: 4.5893e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2383,10 +2383,10 @@ Simulation number: 4 Reaction step number: 157 SrCO3 added: 1.5700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.2360e-01 -XStrontianite: 4.7640e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.3655e-01 +XStrontianite: 4.6345e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2396,10 +2396,10 @@ Simulation number: 4 Reaction step number: 158 SrCO3 added: 1.5800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.1935e-01 -XStrontianite: 4.8065e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.3211e-01 +XStrontianite: 4.6789e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2409,10 +2409,10 @@ Simulation number: 4 Reaction step number: 159 SrCO3 added: 1.5900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.1516e-01 -XStrontianite: 4.8484e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.2774e-01 +XStrontianite: 4.7226e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2422,10 +2422,10 @@ Simulation number: 4 Reaction step number: 160 SrCO3 added: 1.6000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.1104e-01 -XStrontianite: 4.8896e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.2344e-01 +XStrontianite: 4.7656e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2435,10 +2435,10 @@ Simulation number: 4 Reaction step number: 161 SrCO3 added: 1.6100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.0698e-01 -XStrontianite: 4.9302e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.1921e-01 +XStrontianite: 4.8079e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2448,10 +2448,10 @@ Simulation number: 4 Reaction step number: 162 SrCO3 added: 1.6200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 5.0299e-01 -XStrontianite: 4.9701e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.1505e-01 +XStrontianite: 4.8495e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2461,10 +2461,10 @@ Simulation number: 4 Reaction step number: 163 SrCO3 added: 1.6300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.9906e-01 -XStrontianite: 5.0094e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.1096e-01 +XStrontianite: 4.8904e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2474,10 +2474,10 @@ Simulation number: 4 Reaction step number: 164 SrCO3 added: 1.6400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.9519e-01 -XStrontianite: 5.0481e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.0693e-01 +XStrontianite: 4.9307e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2487,10 +2487,10 @@ Simulation number: 4 Reaction step number: 165 SrCO3 added: 1.6500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.9138e-01 -XStrontianite: 5.0862e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 5.0296e-01 +XStrontianite: 4.9704e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2500,10 +2500,10 @@ Simulation number: 4 Reaction step number: 166 SrCO3 added: 1.6600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.8763e-01 -XStrontianite: 5.1237e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.9906e-01 +XStrontianite: 5.0094e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2513,10 +2513,10 @@ Simulation number: 4 Reaction step number: 167 SrCO3 added: 1.6700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.8393e-01 -XStrontianite: 5.1607e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.9521e-01 +XStrontianite: 5.0479e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2526,10 +2526,10 @@ Simulation number: 4 Reaction step number: 168 SrCO3 added: 1.6800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.8030e-01 -XStrontianite: 5.1970e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.9142e-01 +XStrontianite: 5.0858e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2539,10 +2539,10 @@ Simulation number: 4 Reaction step number: 169 SrCO3 added: 1.6900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.7671e-01 -XStrontianite: 5.2329e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.8769e-01 +XStrontianite: 5.1231e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2552,10 +2552,10 @@ Simulation number: 4 Reaction step number: 170 SrCO3 added: 1.7000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.7318e-01 -XStrontianite: 5.2682e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.8402e-01 +XStrontianite: 5.1598e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2565,10 +2565,10 @@ Simulation number: 4 Reaction step number: 171 SrCO3 added: 1.7100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.6970e-01 -XStrontianite: 5.3030e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.8040e-01 +XStrontianite: 5.1960e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2578,10 +2578,10 @@ Simulation number: 4 Reaction step number: 172 SrCO3 added: 1.7200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.6627e-01 -XStrontianite: 5.3373e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.7684e-01 +XStrontianite: 5.2316e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2591,10 +2591,10 @@ Simulation number: 4 Reaction step number: 173 SrCO3 added: 1.7300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.6289e-01 -XStrontianite: 5.3711e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.7333e-01 +XStrontianite: 5.2667e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2604,10 +2604,10 @@ Simulation number: 4 Reaction step number: 174 SrCO3 added: 1.7400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.5956e-01 -XStrontianite: 5.4044e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.6987e-01 +XStrontianite: 5.3013e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2617,10 +2617,10 @@ Simulation number: 4 Reaction step number: 175 SrCO3 added: 1.7500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.5628e-01 -XStrontianite: 5.4372e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.6646e-01 +XStrontianite: 5.3354e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2630,10 +2630,10 @@ Simulation number: 4 Reaction step number: 176 SrCO3 added: 1.7600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.5304e-01 -XStrontianite: 5.4696e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.6310e-01 +XStrontianite: 5.3690e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2643,10 +2643,10 @@ Simulation number: 4 Reaction step number: 177 SrCO3 added: 1.7700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.4985e-01 -XStrontianite: 5.5015e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.5978e-01 +XStrontianite: 5.4022e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2656,10 +2656,10 @@ Simulation number: 4 Reaction step number: 178 SrCO3 added: 1.7800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.4671e-01 -XStrontianite: 5.5329e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.5652e-01 +XStrontianite: 5.4348e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2669,10 +2669,10 @@ Simulation number: 4 Reaction step number: 179 SrCO3 added: 1.7900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.4360e-01 -XStrontianite: 5.5640e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.5330e-01 +XStrontianite: 5.4670e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2682,10 +2682,10 @@ Simulation number: 4 Reaction step number: 180 SrCO3 added: 1.8000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.4054e-01 -XStrontianite: 5.5946e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.5012e-01 +XStrontianite: 5.4988e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2695,10 +2695,10 @@ Simulation number: 4 Reaction step number: 181 SrCO3 added: 1.8100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.3753e-01 -XStrontianite: 5.6247e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.4699e-01 +XStrontianite: 5.5301e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2708,10 +2708,10 @@ Simulation number: 4 Reaction step number: 182 SrCO3 added: 1.8200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.3455e-01 -XStrontianite: 5.6545e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.4390e-01 +XStrontianite: 5.5610e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2721,10 +2721,10 @@ Simulation number: 4 Reaction step number: 183 SrCO3 added: 1.8300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.3161e-01 -XStrontianite: 5.6839e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.4086e-01 +XStrontianite: 5.5914e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2734,10 +2734,10 @@ Simulation number: 4 Reaction step number: 184 SrCO3 added: 1.8400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.2872e-01 -XStrontianite: 5.7128e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.3786e-01 +XStrontianite: 5.6214e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2747,10 +2747,10 @@ Simulation number: 4 Reaction step number: 185 SrCO3 added: 1.8500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.2586e-01 -XStrontianite: 5.7414e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.3489e-01 +XStrontianite: 5.6511e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2760,10 +2760,10 @@ Simulation number: 4 Reaction step number: 186 SrCO3 added: 1.8600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.2304e-01 -XStrontianite: 5.7696e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.3197e-01 +XStrontianite: 5.6803e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2773,10 +2773,10 @@ Simulation number: 4 Reaction step number: 187 SrCO3 added: 1.8700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.2025e-01 -XStrontianite: 5.7975e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.2909e-01 +XStrontianite: 5.7091e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2786,10 +2786,10 @@ Simulation number: 4 Reaction step number: 188 SrCO3 added: 1.8800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.1751e-01 -XStrontianite: 5.8249e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.2624e-01 +XStrontianite: 5.7376e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2799,10 +2799,10 @@ Simulation number: 4 Reaction step number: 189 SrCO3 added: 1.8900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.1480e-01 -XStrontianite: 5.8520e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.2343e-01 +XStrontianite: 5.7657e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2812,10 +2812,10 @@ Simulation number: 4 Reaction step number: 190 SrCO3 added: 1.9000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.1212e-01 -XStrontianite: 5.8788e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.2066e-01 +XStrontianite: 5.7934e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2825,10 +2825,10 @@ Simulation number: 4 Reaction step number: 191 SrCO3 added: 1.9100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.0948e-01 -XStrontianite: 5.9052e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.1792e-01 +XStrontianite: 5.8208e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2838,10 +2838,10 @@ Simulation number: 4 Reaction step number: 192 SrCO3 added: 1.9200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.0687e-01 -XStrontianite: 5.9313e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.1522e-01 +XStrontianite: 5.8478e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2851,10 +2851,10 @@ Simulation number: 4 Reaction step number: 193 SrCO3 added: 1.9300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.0429e-01 -XStrontianite: 5.9571e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.1256e-01 +XStrontianite: 5.8744e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2864,10 +2864,10 @@ Simulation number: 4 Reaction step number: 194 SrCO3 added: 1.9400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 4.0175e-01 -XStrontianite: 5.9825e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.0993e-01 +XStrontianite: 5.9007e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2877,10 +2877,10 @@ Simulation number: 4 Reaction step number: 195 SrCO3 added: 1.9500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.9924e-01 -XStrontianite: 6.0076e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.0733e-01 +XStrontianite: 5.9267e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2890,10 +2890,10 @@ Simulation number: 4 Reaction step number: 196 SrCO3 added: 1.9600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.9676e-01 -XStrontianite: 6.0324e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.0476e-01 +XStrontianite: 5.9524e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2903,10 +2903,10 @@ Simulation number: 4 Reaction step number: 197 SrCO3 added: 1.9700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.9431e-01 -XStrontianite: 6.0569e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 4.0223e-01 +XStrontianite: 5.9777e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2916,10 +2916,10 @@ Simulation number: 4 Reaction step number: 198 SrCO3 added: 1.9800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.9189e-01 -XStrontianite: 6.0811e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.9973e-01 +XStrontianite: 6.0027e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2929,10 +2929,10 @@ Simulation number: 4 Reaction step number: 199 SrCO3 added: 1.9900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.8950e-01 -XStrontianite: 6.1050e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.9726e-01 +XStrontianite: 6.0274e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2942,10 +2942,10 @@ Simulation number: 4 Reaction step number: 200 SrCO3 added: 2.0000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.8714e-01 -XStrontianite: 6.1286e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.9482e-01 +XStrontianite: 6.0518e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2955,10 +2955,10 @@ Simulation number: 4 Reaction step number: 201 SrCO3 added: 2.0100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.8481e-01 -XStrontianite: 6.1519e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.9241e-01 +XStrontianite: 6.0759e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2968,10 +2968,10 @@ Simulation number: 4 Reaction step number: 202 SrCO3 added: 2.0200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.8250e-01 -XStrontianite: 6.1750e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.9003e-01 +XStrontianite: 6.0997e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2981,10 +2981,10 @@ Simulation number: 4 Reaction step number: 203 SrCO3 added: 2.0300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.8023e-01 -XStrontianite: 6.1977e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.8767e-01 +XStrontianite: 6.1233e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -2994,10 +2994,10 @@ Simulation number: 4 Reaction step number: 204 SrCO3 added: 2.0400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.7798e-01 -XStrontianite: 6.2202e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.8535e-01 +XStrontianite: 6.1465e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3007,10 +3007,10 @@ Simulation number: 4 Reaction step number: 205 SrCO3 added: 2.0500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.7575e-01 -XStrontianite: 6.2425e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.8305e-01 +XStrontianite: 6.1695e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3020,10 +3020,10 @@ Simulation number: 4 Reaction step number: 206 SrCO3 added: 2.0600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.7356e-01 -XStrontianite: 6.2644e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.8078e-01 +XStrontianite: 6.1922e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3033,10 +3033,10 @@ Simulation number: 4 Reaction step number: 207 SrCO3 added: 2.0700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.7138e-01 -XStrontianite: 6.2862e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.7854e-01 +XStrontianite: 6.2146e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3046,10 +3046,10 @@ Simulation number: 4 Reaction step number: 208 SrCO3 added: 2.0800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.6924e-01 -XStrontianite: 6.3076e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.7632e-01 +XStrontianite: 6.2368e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3059,10 +3059,10 @@ Simulation number: 4 Reaction step number: 209 SrCO3 added: 2.0900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.6712e-01 -XStrontianite: 6.3288e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.7413e-01 +XStrontianite: 6.2587e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3072,10 +3072,10 @@ Simulation number: 4 Reaction step number: 210 SrCO3 added: 2.1000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.6502e-01 -XStrontianite: 6.3498e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.7197e-01 +XStrontianite: 6.2803e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3085,10 +3085,10 @@ Simulation number: 4 Reaction step number: 211 SrCO3 added: 2.1100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.6294e-01 -XStrontianite: 6.3706e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.6983e-01 +XStrontianite: 6.3017e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3098,10 +3098,10 @@ Simulation number: 4 Reaction step number: 212 SrCO3 added: 2.1200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.6089e-01 -XStrontianite: 6.3911e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.6771e-01 +XStrontianite: 6.3229e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3111,10 +3111,10 @@ Simulation number: 4 Reaction step number: 213 SrCO3 added: 2.1300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.5887e-01 -XStrontianite: 6.4113e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.6562e-01 +XStrontianite: 6.3438e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3124,10 +3124,10 @@ Simulation number: 4 Reaction step number: 214 SrCO3 added: 2.1400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.5686e-01 -XStrontianite: 6.4314e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.6355e-01 +XStrontianite: 6.3645e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3137,10 +3137,10 @@ Simulation number: 4 Reaction step number: 215 SrCO3 added: 2.1500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.5488e-01 -XStrontianite: 6.4512e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.6151e-01 +XStrontianite: 6.3849e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3150,10 +3150,10 @@ Simulation number: 4 Reaction step number: 216 SrCO3 added: 2.1600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.5292e-01 -XStrontianite: 6.4708e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.5948e-01 +XStrontianite: 6.4052e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3163,10 +3163,10 @@ Simulation number: 4 Reaction step number: 217 SrCO3 added: 2.1700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.5098e-01 -XStrontianite: 6.4902e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.5748e-01 +XStrontianite: 6.4252e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3176,10 +3176,10 @@ Simulation number: 4 Reaction step number: 218 SrCO3 added: 2.1800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.4906e-01 -XStrontianite: 6.5094e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.5551e-01 +XStrontianite: 6.4449e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3189,10 +3189,10 @@ Simulation number: 4 Reaction step number: 219 SrCO3 added: 2.1900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.4716e-01 -XStrontianite: 6.5284e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.5355e-01 +XStrontianite: 6.4645e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3202,10 +3202,10 @@ Simulation number: 4 Reaction step number: 220 SrCO3 added: 2.2000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.4529e-01 -XStrontianite: 6.5471e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.5162e-01 +XStrontianite: 6.4838e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3215,10 +3215,10 @@ Simulation number: 4 Reaction step number: 221 SrCO3 added: 2.2100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.4343e-01 -XStrontianite: 6.5657e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.4970e-01 +XStrontianite: 6.5030e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3228,10 +3228,10 @@ Simulation number: 4 Reaction step number: 222 SrCO3 added: 2.2200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.4159e-01 -XStrontianite: 6.5841e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.4781e-01 +XStrontianite: 6.5219e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3241,10 +3241,10 @@ Simulation number: 4 Reaction step number: 223 SrCO3 added: 2.2300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.3978e-01 -XStrontianite: 6.6022e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.4594e-01 +XStrontianite: 6.5406e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3254,10 +3254,10 @@ Simulation number: 4 Reaction step number: 224 SrCO3 added: 2.2400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.3798e-01 -XStrontianite: 6.6202e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.4409e-01 +XStrontianite: 6.5591e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3267,10 +3267,10 @@ Simulation number: 4 Reaction step number: 225 SrCO3 added: 2.2500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.3620e-01 -XStrontianite: 6.6380e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.4225e-01 +XStrontianite: 6.5775e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3280,10 +3280,10 @@ Simulation number: 4 Reaction step number: 226 SrCO3 added: 2.2600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.3444e-01 -XStrontianite: 6.6556e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.4044e-01 +XStrontianite: 6.5956e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3293,10 +3293,10 @@ Simulation number: 4 Reaction step number: 227 SrCO3 added: 2.2700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.3270e-01 -XStrontianite: 6.6730e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.3865e-01 +XStrontianite: 6.6135e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3306,10 +3306,10 @@ Simulation number: 4 Reaction step number: 228 SrCO3 added: 2.2800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.3097e-01 -XStrontianite: 6.6903e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.3687e-01 +XStrontianite: 6.6313e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3319,10 +3319,10 @@ Simulation number: 4 Reaction step number: 229 SrCO3 added: 2.2900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.2927e-01 -XStrontianite: 6.7073e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.3512e-01 +XStrontianite: 6.6488e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3332,10 +3332,10 @@ Simulation number: 4 Reaction step number: 230 SrCO3 added: 2.3000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.2758e-01 -XStrontianite: 6.7242e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.3338e-01 +XStrontianite: 6.6662e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3345,10 +3345,10 @@ Simulation number: 4 Reaction step number: 231 SrCO3 added: 2.3100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.2591e-01 -XStrontianite: 6.7409e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.3166e-01 +XStrontianite: 6.6834e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3358,10 +3358,10 @@ Simulation number: 4 Reaction step number: 232 SrCO3 added: 2.3200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.2425e-01 -XStrontianite: 6.7575e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.2995e-01 +XStrontianite: 6.7005e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3371,10 +3371,10 @@ Simulation number: 4 Reaction step number: 233 SrCO3 added: 2.3300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.2261e-01 -XStrontianite: 6.7739e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.2827e-01 +XStrontianite: 6.7173e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3384,10 +3384,10 @@ Simulation number: 4 Reaction step number: 234 SrCO3 added: 2.3400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.2099e-01 -XStrontianite: 6.7901e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.2660e-01 +XStrontianite: 6.7340e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3397,10 +3397,10 @@ Simulation number: 4 Reaction step number: 235 SrCO3 added: 2.3500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.1939e-01 -XStrontianite: 6.8061e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.2495e-01 +XStrontianite: 6.7505e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3410,10 +3410,10 @@ Simulation number: 4 Reaction step number: 236 SrCO3 added: 2.3600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.1780e-01 -XStrontianite: 6.8220e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.2331e-01 +XStrontianite: 6.7669e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3423,10 +3423,10 @@ Simulation number: 4 Reaction step number: 237 SrCO3 added: 2.3700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.1623e-01 -XStrontianite: 6.8377e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.2170e-01 +XStrontianite: 6.7830e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3436,10 +3436,10 @@ Simulation number: 4 Reaction step number: 238 SrCO3 added: 2.3800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.1467e-01 -XStrontianite: 6.8533e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.2009e-01 +XStrontianite: 6.7991e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3449,10 +3449,10 @@ Simulation number: 4 Reaction step number: 239 SrCO3 added: 2.3900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.1313e-01 -XStrontianite: 6.8687e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.1851e-01 +XStrontianite: 6.8149e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3462,10 +3462,10 @@ Simulation number: 4 Reaction step number: 240 SrCO3 added: 2.4000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.1160e-01 -XStrontianite: 6.8840e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.1694e-01 +XStrontianite: 6.8306e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3475,10 +3475,10 @@ Simulation number: 4 Reaction step number: 241 SrCO3 added: 2.4100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.1009e-01 -XStrontianite: 6.8991e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.1538e-01 +XStrontianite: 6.8462e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3488,10 +3488,10 @@ Simulation number: 4 Reaction step number: 242 SrCO3 added: 2.4200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.0859e-01 -XStrontianite: 6.9141e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.1384e-01 +XStrontianite: 6.8616e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3501,10 +3501,10 @@ Simulation number: 4 Reaction step number: 243 SrCO3 added: 2.4300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.0710e-01 -XStrontianite: 6.9290e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.1232e-01 +XStrontianite: 6.8768e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3514,10 +3514,10 @@ Simulation number: 4 Reaction step number: 244 SrCO3 added: 2.4400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.0563e-01 -XStrontianite: 6.9437e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.1081e-01 +XStrontianite: 6.8919e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3527,10 +3527,10 @@ Simulation number: 4 Reaction step number: 245 SrCO3 added: 2.4500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.0418e-01 -XStrontianite: 6.9582e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.0931e-01 +XStrontianite: 6.9069e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3540,10 +3540,10 @@ Simulation number: 4 Reaction step number: 246 SrCO3 added: 2.4600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.0274e-01 -XStrontianite: 6.9726e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.0783e-01 +XStrontianite: 6.9217e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3553,10 +3553,10 @@ Simulation number: 4 Reaction step number: 247 SrCO3 added: 2.4700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 3.0131e-01 -XStrontianite: 6.9869e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.0636e-01 +XStrontianite: 6.9364e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3566,10 +3566,10 @@ Simulation number: 4 Reaction step number: 248 SrCO3 added: 2.4800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.9989e-01 -XStrontianite: 7.0011e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.0491e-01 +XStrontianite: 6.9509e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3579,10 +3579,10 @@ Simulation number: 4 Reaction step number: 249 SrCO3 added: 2.4900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.9849e-01 -XStrontianite: 7.0151e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.0347e-01 +XStrontianite: 6.9653e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3592,10 +3592,10 @@ Simulation number: 4 Reaction step number: 250 SrCO3 added: 2.5000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.9710e-01 -XStrontianite: 7.0290e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.0204e-01 +XStrontianite: 6.9796e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3605,10 +3605,10 @@ Simulation number: 4 Reaction step number: 251 SrCO3 added: 2.5100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.9573e-01 -XStrontianite: 7.0427e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 3.0063e-01 +XStrontianite: 6.9937e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3618,10 +3618,10 @@ Simulation number: 4 Reaction step number: 252 SrCO3 added: 2.5200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.9437e-01 -XStrontianite: 7.0563e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.9923e-01 +XStrontianite: 7.0077e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3631,10 +3631,10 @@ Simulation number: 4 Reaction step number: 253 SrCO3 added: 2.5300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.9302e-01 -XStrontianite: 7.0698e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.9784e-01 +XStrontianite: 7.0216e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3644,10 +3644,10 @@ Simulation number: 4 Reaction step number: 254 SrCO3 added: 2.5400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.9168e-01 -XStrontianite: 7.0832e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.9647e-01 +XStrontianite: 7.0353e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3657,10 +3657,10 @@ Simulation number: 4 Reaction step number: 255 SrCO3 added: 2.5500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.9035e-01 -XStrontianite: 7.0965e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.9511e-01 +XStrontianite: 7.0489e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3670,10 +3670,10 @@ Simulation number: 4 Reaction step number: 256 SrCO3 added: 2.5600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.8904e-01 -XStrontianite: 7.1096e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.9376e-01 +XStrontianite: 7.0624e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3683,10 +3683,10 @@ Simulation number: 4 Reaction step number: 257 SrCO3 added: 2.5700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.8774e-01 -XStrontianite: 7.1226e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.9242e-01 +XStrontianite: 7.0758e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3696,10 +3696,10 @@ Simulation number: 4 Reaction step number: 258 SrCO3 added: 2.5800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.8645e-01 -XStrontianite: 7.1355e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.9110e-01 +XStrontianite: 7.0890e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3709,10 +3709,10 @@ Simulation number: 4 Reaction step number: 259 SrCO3 added: 2.5900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.8517e-01 -XStrontianite: 7.1483e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.8978e-01 +XStrontianite: 7.1022e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3722,10 +3722,10 @@ Simulation number: 4 Reaction step number: 260 SrCO3 added: 2.6000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.8390e-01 -XStrontianite: 7.1610e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.8848e-01 +XStrontianite: 7.1152e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3735,10 +3735,10 @@ Simulation number: 4 Reaction step number: 261 SrCO3 added: 2.6100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.8264e-01 -XStrontianite: 7.1736e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.8719e-01 +XStrontianite: 7.1281e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3748,10 +3748,10 @@ Simulation number: 4 Reaction step number: 262 SrCO3 added: 2.6200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.8140e-01 -XStrontianite: 7.1860e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.8592e-01 +XStrontianite: 7.1408e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3761,10 +3761,10 @@ Simulation number: 4 Reaction step number: 263 SrCO3 added: 2.6300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.8016e-01 -XStrontianite: 7.1984e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.8465e-01 +XStrontianite: 7.1535e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3774,10 +3774,10 @@ Simulation number: 4 Reaction step number: 264 SrCO3 added: 2.6400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.7894e-01 -XStrontianite: 7.2106e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.8340e-01 +XStrontianite: 7.1660e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3787,10 +3787,10 @@ Simulation number: 4 Reaction step number: 265 SrCO3 added: 2.6500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.7773e-01 -XStrontianite: 7.2227e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.8215e-01 +XStrontianite: 7.1785e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3800,10 +3800,10 @@ Simulation number: 4 Reaction step number: 266 SrCO3 added: 2.6600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.7652e-01 -XStrontianite: 7.2348e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.8092e-01 +XStrontianite: 7.1908e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3813,10 +3813,10 @@ Simulation number: 4 Reaction step number: 267 SrCO3 added: 2.6700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.7533e-01 -XStrontianite: 7.2467e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7970e-01 +XStrontianite: 7.2030e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3826,10 +3826,10 @@ Simulation number: 4 Reaction step number: 268 SrCO3 added: 2.6800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.7415e-01 -XStrontianite: 7.2585e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7848e-01 +XStrontianite: 7.2152e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3839,10 +3839,10 @@ Simulation number: 4 Reaction step number: 269 SrCO3 added: 2.6900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.7298e-01 -XStrontianite: 7.2702e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7728e-01 +XStrontianite: 7.2272e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3852,10 +3852,10 @@ Simulation number: 4 Reaction step number: 270 SrCO3 added: 2.7000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.7182e-01 -XStrontianite: 7.2818e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7609e-01 +XStrontianite: 7.2391e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3865,10 +3865,10 @@ Simulation number: 4 Reaction step number: 271 SrCO3 added: 2.7100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.7067e-01 -XStrontianite: 7.2933e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7491e-01 +XStrontianite: 7.2509e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3878,10 +3878,10 @@ Simulation number: 4 Reaction step number: 272 SrCO3 added: 2.7200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6952e-01 -XStrontianite: 7.3048e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7374e-01 +XStrontianite: 7.2626e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3891,10 +3891,10 @@ Simulation number: 4 Reaction step number: 273 SrCO3 added: 2.7300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6839e-01 -XStrontianite: 7.3161e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7258e-01 +XStrontianite: 7.2742e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3904,10 +3904,10 @@ Simulation number: 4 Reaction step number: 274 SrCO3 added: 2.7400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6727e-01 -XStrontianite: 7.3273e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7143e-01 +XStrontianite: 7.2857e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3917,10 +3917,10 @@ Simulation number: 4 Reaction step number: 275 SrCO3 added: 2.7500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6615e-01 -XStrontianite: 7.3385e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.7029e-01 +XStrontianite: 7.2971e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3930,10 +3930,10 @@ Simulation number: 4 Reaction step number: 276 SrCO3 added: 2.7600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6505e-01 -XStrontianite: 7.3495e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6915e-01 +XStrontianite: 7.3085e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3943,10 +3943,10 @@ Simulation number: 4 Reaction step number: 277 SrCO3 added: 2.7700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6395e-01 -XStrontianite: 7.3605e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6803e-01 +XStrontianite: 7.3197e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3956,10 +3956,10 @@ Simulation number: 4 Reaction step number: 278 SrCO3 added: 2.7800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6287e-01 -XStrontianite: 7.3713e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6692e-01 +XStrontianite: 7.3308e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3969,10 +3969,10 @@ Simulation number: 4 Reaction step number: 279 SrCO3 added: 2.7900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6179e-01 -XStrontianite: 7.3821e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6581e-01 +XStrontianite: 7.3419e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3982,10 +3982,10 @@ Simulation number: 4 Reaction step number: 280 SrCO3 added: 2.8000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.6072e-01 -XStrontianite: 7.3928e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6472e-01 +XStrontianite: 7.3528e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -3995,10 +3995,10 @@ Simulation number: 4 Reaction step number: 281 SrCO3 added: 2.8100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5966e-01 -XStrontianite: 7.4034e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6363e-01 +XStrontianite: 7.3637e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4008,10 +4008,10 @@ Simulation number: 4 Reaction step number: 282 SrCO3 added: 2.8200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5861e-01 -XStrontianite: 7.4139e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6256e-01 +XStrontianite: 7.3744e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4021,10 +4021,10 @@ Simulation number: 4 Reaction step number: 283 SrCO3 added: 2.8300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5757e-01 -XStrontianite: 7.4243e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6149e-01 +XStrontianite: 7.3851e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4034,10 +4034,10 @@ Simulation number: 4 Reaction step number: 284 SrCO3 added: 2.8400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5653e-01 -XStrontianite: 7.4347e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.6043e-01 +XStrontianite: 7.3957e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4047,10 +4047,10 @@ Simulation number: 4 Reaction step number: 285 SrCO3 added: 2.8500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5551e-01 -XStrontianite: 7.4449e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5938e-01 +XStrontianite: 7.4062e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4060,10 +4060,10 @@ Simulation number: 4 Reaction step number: 286 SrCO3 added: 2.8600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5449e-01 -XStrontianite: 7.4551e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5833e-01 +XStrontianite: 7.4167e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4073,10 +4073,10 @@ Simulation number: 4 Reaction step number: 287 SrCO3 added: 2.8700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5348e-01 -XStrontianite: 7.4652e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5730e-01 +XStrontianite: 7.4270e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4086,10 +4086,10 @@ Simulation number: 4 Reaction step number: 288 SrCO3 added: 2.8800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5248e-01 -XStrontianite: 7.4752e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5627e-01 +XStrontianite: 7.4373e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4099,10 +4099,10 @@ Simulation number: 4 Reaction step number: 289 SrCO3 added: 2.8900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5148e-01 -XStrontianite: 7.4852e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5526e-01 +XStrontianite: 7.4474e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4112,10 +4112,10 @@ Simulation number: 4 Reaction step number: 290 SrCO3 added: 2.9000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.5050e-01 -XStrontianite: 7.4950e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5425e-01 +XStrontianite: 7.4575e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4125,10 +4125,10 @@ Simulation number: 4 Reaction step number: 291 SrCO3 added: 2.9100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4952e-01 -XStrontianite: 7.5048e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5324e-01 +XStrontianite: 7.4676e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4138,10 +4138,10 @@ Simulation number: 4 Reaction step number: 292 SrCO3 added: 2.9200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4855e-01 -XStrontianite: 7.5145e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5225e-01 +XStrontianite: 7.4775e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4151,10 +4151,10 @@ Simulation number: 4 Reaction step number: 293 SrCO3 added: 2.9300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4758e-01 -XStrontianite: 7.5242e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5126e-01 +XStrontianite: 7.4874e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4164,10 +4164,10 @@ Simulation number: 4 Reaction step number: 294 SrCO3 added: 2.9400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4663e-01 -XStrontianite: 7.5337e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.5029e-01 +XStrontianite: 7.4971e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4177,10 +4177,10 @@ Simulation number: 4 Reaction step number: 295 SrCO3 added: 2.9500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4568e-01 -XStrontianite: 7.5432e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4932e-01 +XStrontianite: 7.5068e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4190,10 +4190,10 @@ Simulation number: 4 Reaction step number: 296 SrCO3 added: 2.9600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4474e-01 -XStrontianite: 7.5526e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4835e-01 +XStrontianite: 7.5165e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4203,10 +4203,10 @@ Simulation number: 4 Reaction step number: 297 SrCO3 added: 2.9700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4380e-01 -XStrontianite: 7.5620e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4740e-01 +XStrontianite: 7.5260e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4216,10 +4216,10 @@ Simulation number: 4 Reaction step number: 298 SrCO3 added: 2.9800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4288e-01 -XStrontianite: 7.5712e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4645e-01 +XStrontianite: 7.5355e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4229,10 +4229,10 @@ Simulation number: 4 Reaction step number: 299 SrCO3 added: 2.9900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4196e-01 -XStrontianite: 7.5804e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4551e-01 +XStrontianite: 7.5449e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4242,10 +4242,10 @@ Simulation number: 4 Reaction step number: 300 SrCO3 added: 3.0000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4104e-01 -XStrontianite: 7.5896e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4457e-01 +XStrontianite: 7.5543e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4255,10 +4255,10 @@ Simulation number: 4 Reaction step number: 301 SrCO3 added: 3.0100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.4014e-01 -XStrontianite: 7.5986e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4364e-01 +XStrontianite: 7.5636e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4268,10 +4268,10 @@ Simulation number: 4 Reaction step number: 302 SrCO3 added: 3.0200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3924e-01 -XStrontianite: 7.6076e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4272e-01 +XStrontianite: 7.5728e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4281,10 +4281,10 @@ Simulation number: 4 Reaction step number: 303 SrCO3 added: 3.0300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3835e-01 -XStrontianite: 7.6165e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4181e-01 +XStrontianite: 7.5819e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4294,10 +4294,10 @@ Simulation number: 4 Reaction step number: 304 SrCO3 added: 3.0400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3746e-01 -XStrontianite: 7.6254e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4090e-01 +XStrontianite: 7.5910e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4307,10 +4307,10 @@ Simulation number: 4 Reaction step number: 305 SrCO3 added: 3.0500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3658e-01 -XStrontianite: 7.6342e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.4000e-01 +XStrontianite: 7.6000e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4320,10 +4320,10 @@ Simulation number: 4 Reaction step number: 306 SrCO3 added: 3.0600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3571e-01 -XStrontianite: 7.6429e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3911e-01 +XStrontianite: 7.6089e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4333,10 +4333,10 @@ Simulation number: 4 Reaction step number: 307 SrCO3 added: 3.0700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3484e-01 -XStrontianite: 7.6516e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3823e-01 +XStrontianite: 7.6177e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4346,10 +4346,10 @@ Simulation number: 4 Reaction step number: 308 SrCO3 added: 3.0800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3398e-01 -XStrontianite: 7.6602e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3735e-01 +XStrontianite: 7.6265e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4359,10 +4359,10 @@ Simulation number: 4 Reaction step number: 309 SrCO3 added: 3.0900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3313e-01 -XStrontianite: 7.6687e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3647e-01 +XStrontianite: 7.6353e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4372,10 +4372,10 @@ Simulation number: 4 Reaction step number: 310 SrCO3 added: 3.1000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3228e-01 -XStrontianite: 7.6772e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3561e-01 +XStrontianite: 7.6439e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4385,10 +4385,10 @@ Simulation number: 4 Reaction step number: 311 SrCO3 added: 3.1100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3144e-01 -XStrontianite: 7.6856e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3474e-01 +XStrontianite: 7.6526e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4398,10 +4398,10 @@ Simulation number: 4 Reaction step number: 312 SrCO3 added: 3.1200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.3060e-01 -XStrontianite: 7.6940e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3389e-01 +XStrontianite: 7.6611e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4411,10 +4411,10 @@ Simulation number: 4 Reaction step number: 313 SrCO3 added: 3.1300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2977e-01 -XStrontianite: 7.7023e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3304e-01 +XStrontianite: 7.6696e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4424,10 +4424,10 @@ Simulation number: 4 Reaction step number: 314 SrCO3 added: 3.1400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2895e-01 -XStrontianite: 7.7105e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3220e-01 +XStrontianite: 7.6780e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4437,10 +4437,10 @@ Simulation number: 4 Reaction step number: 315 SrCO3 added: 3.1500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2813e-01 -XStrontianite: 7.7187e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3136e-01 +XStrontianite: 7.6864e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4450,10 +4450,10 @@ Simulation number: 4 Reaction step number: 316 SrCO3 added: 3.1600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2732e-01 -XStrontianite: 7.7268e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.3053e-01 +XStrontianite: 7.6947e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4463,10 +4463,10 @@ Simulation number: 4 Reaction step number: 317 SrCO3 added: 3.1700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2651e-01 -XStrontianite: 7.7349e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2971e-01 +XStrontianite: 7.7029e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4476,10 +4476,10 @@ Simulation number: 4 Reaction step number: 318 SrCO3 added: 3.1800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2571e-01 -XStrontianite: 7.7429e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2889e-01 +XStrontianite: 7.7111e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4489,10 +4489,10 @@ Simulation number: 4 Reaction step number: 319 SrCO3 added: 3.1900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2492e-01 -XStrontianite: 7.7508e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2808e-01 +XStrontianite: 7.7192e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4502,10 +4502,10 @@ Simulation number: 4 Reaction step number: 320 SrCO3 added: 3.2000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2413e-01 -XStrontianite: 7.7587e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2727e-01 +XStrontianite: 7.7273e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4515,10 +4515,10 @@ Simulation number: 4 Reaction step number: 321 SrCO3 added: 3.2100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2334e-01 -XStrontianite: 7.7666e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2647e-01 +XStrontianite: 7.7353e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4528,10 +4528,10 @@ Simulation number: 4 Reaction step number: 322 SrCO3 added: 3.2200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2257e-01 -XStrontianite: 7.7743e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2568e-01 +XStrontianite: 7.7432e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4541,10 +4541,10 @@ Simulation number: 4 Reaction step number: 323 SrCO3 added: 3.2300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2179e-01 -XStrontianite: 7.7821e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2489e-01 +XStrontianite: 7.7511e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4554,10 +4554,10 @@ Simulation number: 4 Reaction step number: 324 SrCO3 added: 3.2400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2103e-01 -XStrontianite: 7.7897e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2410e-01 +XStrontianite: 7.7590e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4567,10 +4567,10 @@ Simulation number: 4 Reaction step number: 325 SrCO3 added: 3.2500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.2026e-01 -XStrontianite: 7.7974e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2333e-01 +XStrontianite: 7.7667e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4580,10 +4580,10 @@ Simulation number: 4 Reaction step number: 326 SrCO3 added: 3.2600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1951e-01 -XStrontianite: 7.8049e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2255e-01 +XStrontianite: 7.7745e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4593,10 +4593,10 @@ Simulation number: 4 Reaction step number: 327 SrCO3 added: 3.2700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1876e-01 -XStrontianite: 7.8124e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2178e-01 +XStrontianite: 7.7822e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4606,10 +4606,10 @@ Simulation number: 4 Reaction step number: 328 SrCO3 added: 3.2800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1801e-01 -XStrontianite: 7.8199e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2102e-01 +XStrontianite: 7.7898e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4619,10 +4619,10 @@ Simulation number: 4 Reaction step number: 329 SrCO3 added: 3.2900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1727e-01 -XStrontianite: 7.8273e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.2026e-01 +XStrontianite: 7.7974e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4632,10 +4632,10 @@ Simulation number: 4 Reaction step number: 330 SrCO3 added: 3.3000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1653e-01 -XStrontianite: 7.8347e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1951e-01 +XStrontianite: 7.8049e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4645,10 +4645,10 @@ Simulation number: 4 Reaction step number: 331 SrCO3 added: 3.3100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1580e-01 -XStrontianite: 7.8420e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1876e-01 +XStrontianite: 7.8124e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4658,10 +4658,10 @@ Simulation number: 4 Reaction step number: 332 SrCO3 added: 3.3200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1507e-01 -XStrontianite: 7.8493e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1802e-01 +XStrontianite: 7.8198e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4671,10 +4671,10 @@ Simulation number: 4 Reaction step number: 333 SrCO3 added: 3.3300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1435e-01 -XStrontianite: 7.8565e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1728e-01 +XStrontianite: 7.8272e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4684,10 +4684,10 @@ Simulation number: 4 Reaction step number: 334 SrCO3 added: 3.3400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1363e-01 -XStrontianite: 7.8637e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1655e-01 +XStrontianite: 7.8345e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4697,10 +4697,10 @@ Simulation number: 4 Reaction step number: 335 SrCO3 added: 3.3500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1292e-01 -XStrontianite: 7.8708e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1583e-01 +XStrontianite: 7.8417e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4710,10 +4710,10 @@ Simulation number: 4 Reaction step number: 336 SrCO3 added: 3.3600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1221e-01 -XStrontianite: 7.8779e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1510e-01 +XStrontianite: 7.8490e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4723,10 +4723,10 @@ Simulation number: 4 Reaction step number: 337 SrCO3 added: 3.3700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1151e-01 -XStrontianite: 7.8849e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1439e-01 +XStrontianite: 7.8561e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4736,10 +4736,10 @@ Simulation number: 4 Reaction step number: 338 SrCO3 added: 3.3800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1081e-01 -XStrontianite: 7.8919e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1367e-01 +XStrontianite: 7.8633e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4749,10 +4749,10 @@ Simulation number: 4 Reaction step number: 339 SrCO3 added: 3.3900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.1012e-01 -XStrontianite: 7.8988e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1296e-01 +XStrontianite: 7.8704e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4762,10 +4762,10 @@ Simulation number: 4 Reaction step number: 340 SrCO3 added: 3.4000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0943e-01 -XStrontianite: 7.9057e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1226e-01 +XStrontianite: 7.8774e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4775,10 +4775,10 @@ Simulation number: 4 Reaction step number: 341 SrCO3 added: 3.4100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0875e-01 -XStrontianite: 7.9125e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1156e-01 +XStrontianite: 7.8844e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4788,10 +4788,10 @@ Simulation number: 4 Reaction step number: 342 SrCO3 added: 3.4200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0807e-01 -XStrontianite: 7.9193e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1087e-01 +XStrontianite: 7.8913e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4801,10 +4801,10 @@ Simulation number: 4 Reaction step number: 343 SrCO3 added: 3.4300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0739e-01 -XStrontianite: 7.9261e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.1018e-01 +XStrontianite: 7.8982e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4814,10 +4814,10 @@ Simulation number: 4 Reaction step number: 344 SrCO3 added: 3.4400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0672e-01 -XStrontianite: 7.9328e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0949e-01 +XStrontianite: 7.9051e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4827,10 +4827,10 @@ Simulation number: 4 Reaction step number: 345 SrCO3 added: 3.4500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0605e-01 -XStrontianite: 7.9395e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0881e-01 +XStrontianite: 7.9119e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4840,10 +4840,10 @@ Simulation number: 4 Reaction step number: 346 SrCO3 added: 3.4600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0539e-01 -XStrontianite: 7.9461e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0814e-01 +XStrontianite: 7.9186e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4853,10 +4853,10 @@ Simulation number: 4 Reaction step number: 347 SrCO3 added: 3.4700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0473e-01 -XStrontianite: 7.9527e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0746e-01 +XStrontianite: 7.9254e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4866,10 +4866,10 @@ Simulation number: 4 Reaction step number: 348 SrCO3 added: 3.4800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0408e-01 -XStrontianite: 7.9592e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0680e-01 +XStrontianite: 7.9320e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4879,10 +4879,10 @@ Simulation number: 4 Reaction step number: 349 SrCO3 added: 3.4900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0343e-01 -XStrontianite: 7.9657e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0613e-01 +XStrontianite: 7.9387e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4892,10 +4892,10 @@ Simulation number: 4 Reaction step number: 350 SrCO3 added: 3.5000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0278e-01 -XStrontianite: 7.9722e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0548e-01 +XStrontianite: 7.9452e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4905,10 +4905,10 @@ Simulation number: 4 Reaction step number: 351 SrCO3 added: 3.5100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0214e-01 -XStrontianite: 7.9786e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0482e-01 +XStrontianite: 7.9518e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4918,10 +4918,10 @@ Simulation number: 4 Reaction step number: 352 SrCO3 added: 3.5200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0150e-01 -XStrontianite: 7.9850e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0417e-01 +XStrontianite: 7.9583e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4931,10 +4931,10 @@ Simulation number: 4 Reaction step number: 353 SrCO3 added: 3.5300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0087e-01 -XStrontianite: 7.9913e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0352e-01 +XStrontianite: 7.9648e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4944,10 +4944,10 @@ Simulation number: 4 Reaction step number: 354 SrCO3 added: 3.5400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 2.0024e-01 -XStrontianite: 7.9976e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0288e-01 +XStrontianite: 7.9712e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4957,10 +4957,10 @@ Simulation number: 4 Reaction step number: 355 SrCO3 added: 3.5500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9961e-01 -XStrontianite: 8.0039e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0224e-01 +XStrontianite: 7.9776e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4970,10 +4970,10 @@ Simulation number: 4 Reaction step number: 356 SrCO3 added: 3.5600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9899e-01 -XStrontianite: 8.0101e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0161e-01 +XStrontianite: 7.9839e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4983,10 +4983,10 @@ Simulation number: 4 Reaction step number: 357 SrCO3 added: 3.5700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9837e-01 -XStrontianite: 8.0163e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0098e-01 +XStrontianite: 7.9902e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -4996,10 +4996,10 @@ Simulation number: 4 Reaction step number: 358 SrCO3 added: 3.5800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9776e-01 -XStrontianite: 8.0224e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 2.0035e-01 +XStrontianite: 7.9965e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5009,10 +5009,10 @@ Simulation number: 4 Reaction step number: 359 SrCO3 added: 3.5900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9715e-01 -XStrontianite: 8.0285e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9973e-01 +XStrontianite: 8.0027e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5022,10 +5022,10 @@ Simulation number: 4 Reaction step number: 360 SrCO3 added: 3.6000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9654e-01 -XStrontianite: 8.0346e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9911e-01 +XStrontianite: 8.0089e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5035,10 +5035,10 @@ Simulation number: 4 Reaction step number: 361 SrCO3 added: 3.6100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9594e-01 -XStrontianite: 8.0406e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9849e-01 +XStrontianite: 8.0151e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5048,10 +5048,10 @@ Simulation number: 4 Reaction step number: 362 SrCO3 added: 3.6200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9534e-01 -XStrontianite: 8.0466e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9788e-01 +XStrontianite: 8.0212e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5061,10 +5061,10 @@ Simulation number: 4 Reaction step number: 363 SrCO3 added: 3.6300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9474e-01 -XStrontianite: 8.0526e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9728e-01 +XStrontianite: 8.0272e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5074,10 +5074,10 @@ Simulation number: 4 Reaction step number: 364 SrCO3 added: 3.6400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9415e-01 -XStrontianite: 8.0585e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9667e-01 +XStrontianite: 8.0333e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5087,10 +5087,10 @@ Simulation number: 4 Reaction step number: 365 SrCO3 added: 3.6500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9356e-01 -XStrontianite: 8.0644e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9607e-01 +XStrontianite: 8.0393e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5100,10 +5100,10 @@ Simulation number: 4 Reaction step number: 366 SrCO3 added: 3.6600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9298e-01 -XStrontianite: 8.0702e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9548e-01 +XStrontianite: 8.0452e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5113,10 +5113,10 @@ Simulation number: 4 Reaction step number: 367 SrCO3 added: 3.6700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9240e-01 -XStrontianite: 8.0760e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9488e-01 +XStrontianite: 8.0512e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5126,10 +5126,10 @@ Simulation number: 4 Reaction step number: 368 SrCO3 added: 3.6800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9182e-01 -XStrontianite: 8.0818e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9429e-01 +XStrontianite: 8.0571e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5139,10 +5139,10 @@ Simulation number: 4 Reaction step number: 369 SrCO3 added: 3.6900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9125e-01 -XStrontianite: 8.0875e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9371e-01 +XStrontianite: 8.0629e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5152,10 +5152,10 @@ Simulation number: 4 Reaction step number: 370 SrCO3 added: 3.7000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9068e-01 -XStrontianite: 8.0932e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9313e-01 +XStrontianite: 8.0687e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5165,10 +5165,10 @@ Simulation number: 4 Reaction step number: 371 SrCO3 added: 3.7100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.9011e-01 -XStrontianite: 8.0989e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9255e-01 +XStrontianite: 8.0745e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5178,10 +5178,10 @@ Simulation number: 4 Reaction step number: 372 SrCO3 added: 3.7200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8954e-01 -XStrontianite: 8.1046e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9197e-01 +XStrontianite: 8.0803e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5191,10 +5191,10 @@ Simulation number: 4 Reaction step number: 373 SrCO3 added: 3.7300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8898e-01 -XStrontianite: 8.1102e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9140e-01 +XStrontianite: 8.0860e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5204,10 +5204,10 @@ Simulation number: 4 Reaction step number: 374 SrCO3 added: 3.7400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8843e-01 -XStrontianite: 8.1157e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9083e-01 +XStrontianite: 8.0917e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5217,10 +5217,10 @@ Simulation number: 4 Reaction step number: 375 SrCO3 added: 3.7500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8787e-01 -XStrontianite: 8.1213e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.9027e-01 +XStrontianite: 8.0973e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5230,10 +5230,10 @@ Simulation number: 4 Reaction step number: 376 SrCO3 added: 3.7600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8732e-01 -XStrontianite: 8.1268e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8971e-01 +XStrontianite: 8.1029e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5243,10 +5243,10 @@ Simulation number: 4 Reaction step number: 377 SrCO3 added: 3.7700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8677e-01 -XStrontianite: 8.1323e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8915e-01 +XStrontianite: 8.1085e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5256,10 +5256,10 @@ Simulation number: 4 Reaction step number: 378 SrCO3 added: 3.7800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8623e-01 -XStrontianite: 8.1377e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8859e-01 +XStrontianite: 8.1141e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5269,10 +5269,10 @@ Simulation number: 4 Reaction step number: 379 SrCO3 added: 3.7900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8569e-01 -XStrontianite: 8.1431e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8804e-01 +XStrontianite: 8.1196e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5282,10 +5282,10 @@ Simulation number: 4 Reaction step number: 380 SrCO3 added: 3.8000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8515e-01 -XStrontianite: 8.1485e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8749e-01 +XStrontianite: 8.1251e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5295,10 +5295,10 @@ Simulation number: 4 Reaction step number: 381 SrCO3 added: 3.8100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8461e-01 -XStrontianite: 8.1539e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8695e-01 +XStrontianite: 8.1305e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5308,10 +5308,10 @@ Simulation number: 4 Reaction step number: 382 SrCO3 added: 3.8200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8408e-01 -XStrontianite: 8.1592e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8640e-01 +XStrontianite: 8.1360e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5321,10 +5321,10 @@ Simulation number: 4 Reaction step number: 383 SrCO3 added: 3.8300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8355e-01 -XStrontianite: 8.1645e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8587e-01 +XStrontianite: 8.1413e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5334,10 +5334,10 @@ Simulation number: 4 Reaction step number: 384 SrCO3 added: 3.8400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8303e-01 -XStrontianite: 8.1697e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8533e-01 +XStrontianite: 8.1467e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5347,10 +5347,10 @@ Simulation number: 4 Reaction step number: 385 SrCO3 added: 3.8500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8250e-01 -XStrontianite: 8.1750e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8480e-01 +XStrontianite: 8.1520e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5360,10 +5360,10 @@ Simulation number: 4 Reaction step number: 386 SrCO3 added: 3.8600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8198e-01 -XStrontianite: 8.1802e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8427e-01 +XStrontianite: 8.1573e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5373,10 +5373,10 @@ Simulation number: 4 Reaction step number: 387 SrCO3 added: 3.8700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8147e-01 -XStrontianite: 8.1853e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8374e-01 +XStrontianite: 8.1626e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5386,10 +5386,10 @@ Simulation number: 4 Reaction step number: 388 SrCO3 added: 3.8800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8095e-01 -XStrontianite: 8.1905e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8322e-01 +XStrontianite: 8.1678e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5399,10 +5399,10 @@ Simulation number: 4 Reaction step number: 389 SrCO3 added: 3.8900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.8044e-01 -XStrontianite: 8.1956e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8270e-01 +XStrontianite: 8.1730e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5412,10 +5412,10 @@ Simulation number: 4 Reaction step number: 390 SrCO3 added: 3.9000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7993e-01 -XStrontianite: 8.2007e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8218e-01 +XStrontianite: 8.1782e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5425,10 +5425,10 @@ Simulation number: 4 Reaction step number: 391 SrCO3 added: 3.9100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7943e-01 -XStrontianite: 8.2057e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8166e-01 +XStrontianite: 8.1834e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5438,10 +5438,10 @@ Simulation number: 4 Reaction step number: 392 SrCO3 added: 3.9200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7892e-01 -XStrontianite: 8.2108e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8115e-01 +XStrontianite: 8.1885e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5451,10 +5451,10 @@ Simulation number: 4 Reaction step number: 393 SrCO3 added: 3.9300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7842e-01 -XStrontianite: 8.2158e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8064e-01 +XStrontianite: 8.1936e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5464,10 +5464,10 @@ Simulation number: 4 Reaction step number: 394 SrCO3 added: 3.9400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7793e-01 -XStrontianite: 8.2207e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.8013e-01 +XStrontianite: 8.1987e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5477,10 +5477,10 @@ Simulation number: 4 Reaction step number: 395 SrCO3 added: 3.9500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7743e-01 -XStrontianite: 8.2257e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7963e-01 +XStrontianite: 8.2037e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5490,10 +5490,10 @@ Simulation number: 4 Reaction step number: 396 SrCO3 added: 3.9600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7694e-01 -XStrontianite: 8.2306e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7913e-01 +XStrontianite: 8.2087e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5503,10 +5503,10 @@ Simulation number: 4 Reaction step number: 397 SrCO3 added: 3.9700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7645e-01 -XStrontianite: 8.2355e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7863e-01 +XStrontianite: 8.2137e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5516,10 +5516,10 @@ Simulation number: 4 Reaction step number: 398 SrCO3 added: 3.9800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7597e-01 -XStrontianite: 8.2403e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7814e-01 +XStrontianite: 8.2186e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5529,10 +5529,10 @@ Simulation number: 4 Reaction step number: 399 SrCO3 added: 3.9900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7548e-01 -XStrontianite: 8.2452e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7765e-01 +XStrontianite: 8.2235e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5542,10 +5542,10 @@ Simulation number: 4 Reaction step number: 400 SrCO3 added: 4.0000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7500e-01 -XStrontianite: 8.2500e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7716e-01 +XStrontianite: 8.2284e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5555,10 +5555,10 @@ Simulation number: 4 Reaction step number: 401 SrCO3 added: 4.0100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7452e-01 -XStrontianite: 8.2548e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7667e-01 +XStrontianite: 8.2333e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5568,10 +5568,10 @@ Simulation number: 4 Reaction step number: 402 SrCO3 added: 4.0200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7405e-01 -XStrontianite: 8.2595e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7618e-01 +XStrontianite: 8.2382e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5581,10 +5581,10 @@ Simulation number: 4 Reaction step number: 403 SrCO3 added: 4.0300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7358e-01 -XStrontianite: 8.2642e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7570e-01 +XStrontianite: 8.2430e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5594,10 +5594,10 @@ Simulation number: 4 Reaction step number: 404 SrCO3 added: 4.0400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7311e-01 -XStrontianite: 8.2689e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7522e-01 +XStrontianite: 8.2478e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5607,10 +5607,10 @@ Simulation number: 4 Reaction step number: 405 SrCO3 added: 4.0500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7264e-01 -XStrontianite: 8.2736e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7475e-01 +XStrontianite: 8.2525e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5620,10 +5620,10 @@ Simulation number: 4 Reaction step number: 406 SrCO3 added: 4.0600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7217e-01 -XStrontianite: 8.2783e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7427e-01 +XStrontianite: 8.2573e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5633,10 +5633,10 @@ Simulation number: 4 Reaction step number: 407 SrCO3 added: 4.0700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7171e-01 -XStrontianite: 8.2829e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7380e-01 +XStrontianite: 8.2620e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5646,10 +5646,10 @@ Simulation number: 4 Reaction step number: 408 SrCO3 added: 4.0800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7125e-01 -XStrontianite: 8.2875e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7333e-01 +XStrontianite: 8.2667e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5659,10 +5659,10 @@ Simulation number: 4 Reaction step number: 409 SrCO3 added: 4.0900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7079e-01 -XStrontianite: 8.2921e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7287e-01 +XStrontianite: 8.2713e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5672,10 +5672,10 @@ Simulation number: 4 Reaction step number: 410 SrCO3 added: 4.1000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.7034e-01 -XStrontianite: 8.2966e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7240e-01 +XStrontianite: 8.2760e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5685,10 +5685,10 @@ Simulation number: 4 Reaction step number: 411 SrCO3 added: 4.1100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6988e-01 -XStrontianite: 8.3012e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7194e-01 +XStrontianite: 8.2806e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5698,10 +5698,10 @@ Simulation number: 4 Reaction step number: 412 SrCO3 added: 4.1200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6943e-01 -XStrontianite: 8.3057e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7148e-01 +XStrontianite: 8.2852e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5711,10 +5711,10 @@ Simulation number: 4 Reaction step number: 413 SrCO3 added: 4.1300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6898e-01 -XStrontianite: 8.3102e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7103e-01 +XStrontianite: 8.2897e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5724,10 +5724,10 @@ Simulation number: 4 Reaction step number: 414 SrCO3 added: 4.1400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6854e-01 -XStrontianite: 8.3146e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7057e-01 +XStrontianite: 8.2943e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5737,10 +5737,10 @@ Simulation number: 4 Reaction step number: 415 SrCO3 added: 4.1500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6809e-01 -XStrontianite: 8.3191e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.7012e-01 +XStrontianite: 8.2988e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5750,10 +5750,10 @@ Simulation number: 4 Reaction step number: 416 SrCO3 added: 4.1600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6765e-01 -XStrontianite: 8.3235e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6967e-01 +XStrontianite: 8.3033e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5763,10 +5763,10 @@ Simulation number: 4 Reaction step number: 417 SrCO3 added: 4.1700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6721e-01 -XStrontianite: 8.3279e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6923e-01 +XStrontianite: 8.3077e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5776,10 +5776,10 @@ Simulation number: 4 Reaction step number: 418 SrCO3 added: 4.1800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6678e-01 -XStrontianite: 8.3322e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6878e-01 +XStrontianite: 8.3122e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5789,10 +5789,10 @@ Simulation number: 4 Reaction step number: 419 SrCO3 added: 4.1900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6634e-01 -XStrontianite: 8.3366e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6834e-01 +XStrontianite: 8.3166e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5802,10 +5802,10 @@ Simulation number: 4 Reaction step number: 420 SrCO3 added: 4.2000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6591e-01 -XStrontianite: 8.3409e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6790e-01 +XStrontianite: 8.3210e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5815,10 +5815,10 @@ Simulation number: 4 Reaction step number: 421 SrCO3 added: 4.2100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6548e-01 -XStrontianite: 8.3452e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6746e-01 +XStrontianite: 8.3254e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5828,10 +5828,10 @@ Simulation number: 4 Reaction step number: 422 SrCO3 added: 4.2200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6505e-01 -XStrontianite: 8.3495e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6703e-01 +XStrontianite: 8.3297e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5841,10 +5841,10 @@ Simulation number: 4 Reaction step number: 423 SrCO3 added: 4.2300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6463e-01 -XStrontianite: 8.3537e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6659e-01 +XStrontianite: 8.3341e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5854,10 +5854,10 @@ Simulation number: 4 Reaction step number: 424 SrCO3 added: 4.2400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6421e-01 -XStrontianite: 8.3579e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6616e-01 +XStrontianite: 8.3384e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5867,10 +5867,10 @@ Simulation number: 4 Reaction step number: 425 SrCO3 added: 4.2500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6378e-01 -XStrontianite: 8.3622e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6573e-01 +XStrontianite: 8.3427e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5880,10 +5880,10 @@ Simulation number: 4 Reaction step number: 426 SrCO3 added: 4.2600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6337e-01 -XStrontianite: 8.3663e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6531e-01 +XStrontianite: 8.3469e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5893,10 +5893,10 @@ Simulation number: 4 Reaction step number: 427 SrCO3 added: 4.2700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6295e-01 -XStrontianite: 8.3705e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6488e-01 +XStrontianite: 8.3512e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5906,10 +5906,10 @@ Simulation number: 4 Reaction step number: 428 SrCO3 added: 4.2800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6253e-01 -XStrontianite: 8.3747e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6446e-01 +XStrontianite: 8.3554e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5919,10 +5919,10 @@ Simulation number: 4 Reaction step number: 429 SrCO3 added: 4.2900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6212e-01 -XStrontianite: 8.3788e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6404e-01 +XStrontianite: 8.3596e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5932,10 +5932,10 @@ Simulation number: 4 Reaction step number: 430 SrCO3 added: 4.3000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6171e-01 -XStrontianite: 8.3829e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6362e-01 +XStrontianite: 8.3638e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5945,10 +5945,10 @@ Simulation number: 4 Reaction step number: 431 SrCO3 added: 4.3100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6130e-01 -XStrontianite: 8.3870e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6321e-01 +XStrontianite: 8.3679e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5958,10 +5958,10 @@ Simulation number: 4 Reaction step number: 432 SrCO3 added: 4.3200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6090e-01 -XStrontianite: 8.3910e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6280e-01 +XStrontianite: 8.3720e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5971,10 +5971,10 @@ Simulation number: 4 Reaction step number: 433 SrCO3 added: 4.3300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6049e-01 -XStrontianite: 8.3951e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6238e-01 +XStrontianite: 8.3762e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5984,10 +5984,10 @@ Simulation number: 4 Reaction step number: 434 SrCO3 added: 4.3400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.6009e-01 -XStrontianite: 8.3991e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6198e-01 +XStrontianite: 8.3802e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -5997,10 +5997,10 @@ Simulation number: 4 Reaction step number: 435 SrCO3 added: 4.3500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5969e-01 -XStrontianite: 8.4031e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6157e-01 +XStrontianite: 8.3843e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6010,10 +6010,10 @@ Simulation number: 4 Reaction step number: 436 SrCO3 added: 4.3600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5929e-01 -XStrontianite: 8.4071e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6116e-01 +XStrontianite: 8.3884e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6023,10 +6023,10 @@ Simulation number: 4 Reaction step number: 437 SrCO3 added: 4.3700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5890e-01 -XStrontianite: 8.4110e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6076e-01 +XStrontianite: 8.3924e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6036,10 +6036,10 @@ Simulation number: 4 Reaction step number: 438 SrCO3 added: 4.3800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5850e-01 -XStrontianite: 8.4150e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.6036e-01 +XStrontianite: 8.3964e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6049,10 +6049,10 @@ Simulation number: 4 Reaction step number: 439 SrCO3 added: 4.3900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5811e-01 -XStrontianite: 8.4189e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5996e-01 +XStrontianite: 8.4004e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6062,10 +6062,10 @@ Simulation number: 4 Reaction step number: 440 SrCO3 added: 4.4000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5772e-01 -XStrontianite: 8.4228e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5956e-01 +XStrontianite: 8.4044e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6075,10 +6075,10 @@ Simulation number: 4 Reaction step number: 441 SrCO3 added: 4.4100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5733e-01 -XStrontianite: 8.4267e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5917e-01 +XStrontianite: 8.4083e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6088,10 +6088,10 @@ Simulation number: 4 Reaction step number: 442 SrCO3 added: 4.4200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5694e-01 -XStrontianite: 8.4306e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5877e-01 +XStrontianite: 8.4123e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6101,10 +6101,10 @@ Simulation number: 4 Reaction step number: 443 SrCO3 added: 4.4300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5656e-01 -XStrontianite: 8.4344e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5838e-01 +XStrontianite: 8.4162e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6114,10 +6114,10 @@ Simulation number: 4 Reaction step number: 444 SrCO3 added: 4.4400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5618e-01 -XStrontianite: 8.4382e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5799e-01 +XStrontianite: 8.4201e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6127,10 +6127,10 @@ Simulation number: 4 Reaction step number: 445 SrCO3 added: 4.4500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5579e-01 -XStrontianite: 8.4421e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5761e-01 +XStrontianite: 8.4239e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6140,10 +6140,10 @@ Simulation number: 4 Reaction step number: 446 SrCO3 added: 4.4600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5542e-01 -XStrontianite: 8.4458e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5722e-01 +XStrontianite: 8.4278e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6153,10 +6153,10 @@ Simulation number: 4 Reaction step number: 447 SrCO3 added: 4.4700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5504e-01 -XStrontianite: 8.4496e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5684e-01 +XStrontianite: 8.4316e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6166,10 +6166,10 @@ Simulation number: 4 Reaction step number: 448 SrCO3 added: 4.4800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5466e-01 -XStrontianite: 8.4534e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5645e-01 +XStrontianite: 8.4355e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6179,10 +6179,10 @@ Simulation number: 4 Reaction step number: 449 SrCO3 added: 4.4900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5429e-01 -XStrontianite: 8.4571e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5607e-01 +XStrontianite: 8.4393e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6192,10 +6192,10 @@ Simulation number: 4 Reaction step number: 450 SrCO3 added: 4.5000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5392e-01 -XStrontianite: 8.4608e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5570e-01 +XStrontianite: 8.4430e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6205,10 +6205,10 @@ Simulation number: 4 Reaction step number: 451 SrCO3 added: 4.5100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5355e-01 -XStrontianite: 8.4645e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5532e-01 +XStrontianite: 8.4468e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6218,10 +6218,10 @@ Simulation number: 4 Reaction step number: 452 SrCO3 added: 4.5200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5318e-01 -XStrontianite: 8.4682e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5495e-01 +XStrontianite: 8.4505e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6231,10 +6231,10 @@ Simulation number: 4 Reaction step number: 453 SrCO3 added: 4.5300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5281e-01 -XStrontianite: 8.4719e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5457e-01 +XStrontianite: 8.4543e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6244,10 +6244,10 @@ Simulation number: 4 Reaction step number: 454 SrCO3 added: 4.5400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5245e-01 -XStrontianite: 8.4755e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5420e-01 +XStrontianite: 8.4580e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6257,10 +6257,10 @@ Simulation number: 4 Reaction step number: 455 SrCO3 added: 4.5500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5209e-01 -XStrontianite: 8.4791e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5383e-01 +XStrontianite: 8.4617e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6270,10 +6270,10 @@ Simulation number: 4 Reaction step number: 456 SrCO3 added: 4.5600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5172e-01 -XStrontianite: 8.4828e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5347e-01 +XStrontianite: 8.4653e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6283,10 +6283,10 @@ Simulation number: 4 Reaction step number: 457 SrCO3 added: 4.5700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5136e-01 -XStrontianite: 8.4864e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5310e-01 +XStrontianite: 8.4690e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6296,10 +6296,10 @@ Simulation number: 4 Reaction step number: 458 SrCO3 added: 4.5800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5101e-01 -XStrontianite: 8.4899e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5274e-01 +XStrontianite: 8.4726e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6309,10 +6309,10 @@ Simulation number: 4 Reaction step number: 459 SrCO3 added: 4.5900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5065e-01 -XStrontianite: 8.4935e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5237e-01 +XStrontianite: 8.4763e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6322,10 +6322,10 @@ Simulation number: 4 Reaction step number: 460 SrCO3 added: 4.6000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.5030e-01 -XStrontianite: 8.4970e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5201e-01 +XStrontianite: 8.4799e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6335,10 +6335,10 @@ Simulation number: 4 Reaction step number: 461 SrCO3 added: 4.6100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4994e-01 -XStrontianite: 8.5006e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5166e-01 +XStrontianite: 8.4834e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6348,10 +6348,10 @@ Simulation number: 4 Reaction step number: 462 SrCO3 added: 4.6200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4959e-01 -XStrontianite: 8.5041e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5130e-01 +XStrontianite: 8.4870e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6361,10 +6361,10 @@ Simulation number: 4 Reaction step number: 463 SrCO3 added: 4.6300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4924e-01 -XStrontianite: 8.5076e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5094e-01 +XStrontianite: 8.4906e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6374,10 +6374,10 @@ Simulation number: 4 Reaction step number: 464 SrCO3 added: 4.6400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4889e-01 -XStrontianite: 8.5111e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5059e-01 +XStrontianite: 8.4941e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6387,10 +6387,10 @@ Simulation number: 4 Reaction step number: 465 SrCO3 added: 4.6500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4855e-01 -XStrontianite: 8.5145e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.5024e-01 +XStrontianite: 8.4976e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6400,10 +6400,10 @@ Simulation number: 4 Reaction step number: 466 SrCO3 added: 4.6600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4820e-01 -XStrontianite: 8.5180e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4989e-01 +XStrontianite: 8.5011e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6413,10 +6413,10 @@ Simulation number: 4 Reaction step number: 467 SrCO3 added: 4.6700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4786e-01 -XStrontianite: 8.5214e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4954e-01 +XStrontianite: 8.5046e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6426,10 +6426,10 @@ Simulation number: 4 Reaction step number: 468 SrCO3 added: 4.6800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4752e-01 -XStrontianite: 8.5248e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4919e-01 +XStrontianite: 8.5081e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6439,10 +6439,10 @@ Simulation number: 4 Reaction step number: 469 SrCO3 added: 4.6900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4718e-01 -XStrontianite: 8.5282e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4885e-01 +XStrontianite: 8.5115e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6452,10 +6452,10 @@ Simulation number: 4 Reaction step number: 470 SrCO3 added: 4.7000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4684e-01 -XStrontianite: 8.5316e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4850e-01 +XStrontianite: 8.5150e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6465,10 +6465,10 @@ Simulation number: 4 Reaction step number: 471 SrCO3 added: 4.7100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4650e-01 -XStrontianite: 8.5350e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4816e-01 +XStrontianite: 8.5184e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6478,10 +6478,10 @@ Simulation number: 4 Reaction step number: 472 SrCO3 added: 4.7200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4617e-01 -XStrontianite: 8.5383e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4782e-01 +XStrontianite: 8.5218e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6491,10 +6491,10 @@ Simulation number: 4 Reaction step number: 473 SrCO3 added: 4.7300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4584e-01 -XStrontianite: 8.5416e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4748e-01 +XStrontianite: 8.5252e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6504,10 +6504,10 @@ Simulation number: 4 Reaction step number: 474 SrCO3 added: 4.7400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4550e-01 -XStrontianite: 8.5450e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4714e-01 +XStrontianite: 8.5286e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6517,10 +6517,10 @@ Simulation number: 4 Reaction step number: 475 SrCO3 added: 4.7500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4517e-01 -XStrontianite: 8.5483e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4681e-01 +XStrontianite: 8.5319e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6530,10 +6530,10 @@ Simulation number: 4 Reaction step number: 476 SrCO3 added: 4.7600e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4484e-01 -XStrontianite: 8.5516e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4647e-01 +XStrontianite: 8.5353e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6543,10 +6543,10 @@ Simulation number: 4 Reaction step number: 477 SrCO3 added: 4.7700e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4452e-01 -XStrontianite: 8.5548e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4614e-01 +XStrontianite: 8.5386e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6556,10 +6556,10 @@ Simulation number: 4 Reaction step number: 478 SrCO3 added: 4.7800e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4419e-01 -XStrontianite: 8.5581e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4581e-01 +XStrontianite: 8.5419e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6569,10 +6569,10 @@ Simulation number: 4 Reaction step number: 479 SrCO3 added: 4.7900e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4386e-01 -XStrontianite: 8.5614e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4548e-01 +XStrontianite: 8.5452e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6582,10 +6582,10 @@ Simulation number: 4 Reaction step number: 480 SrCO3 added: 4.8000e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4354e-01 -XStrontianite: 8.5646e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4515e-01 +XStrontianite: 8.5485e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6595,10 +6595,10 @@ Simulation number: 4 Reaction step number: 481 SrCO3 added: 4.8100e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4322e-01 -XStrontianite: 8.5678e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4482e-01 +XStrontianite: 8.5518e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6608,10 +6608,10 @@ Simulation number: 4 Reaction step number: 482 SrCO3 added: 4.8200e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4290e-01 -XStrontianite: 8.5710e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4450e-01 +XStrontianite: 8.5550e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6621,10 +6621,10 @@ Simulation number: 4 Reaction step number: 483 SrCO3 added: 4.8300e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4258e-01 -XStrontianite: 8.5742e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4417e-01 +XStrontianite: 8.5583e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6634,10 +6634,10 @@ Simulation number: 4 Reaction step number: 484 SrCO3 added: 4.8400e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4226e-01 -XStrontianite: 8.5774e-01 -XCa: 9.0898e-01 -XSr: 9.1023e-02 +XAragonite: 1.4385e-01 +XStrontianite: 8.5615e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6647,10 +6647,10 @@ Simulation number: 4 Reaction step number: 485 SrCO3 added: 4.8500e-03 Log Sigma pi: -8.2974e+00 -XAragonite: 1.4211e-01 -XStrontianite: 8.5789e-01 -XCa: 9.0896e-01 -XSr: 9.1042e-02 +XAragonite: 1.4353e-01 +XStrontianite: 8.5647e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6659,11 +6659,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 486 SrCO3 added: 4.8600e-03 -Log Sigma pi: -8.2976e+00 -XAragonite: 1.4207e-01 -XStrontianite: 8.5793e-01 -XCa: 9.0893e-01 -XSr: 9.1074e-02 +Log Sigma pi: -8.2974e+00 +XAragonite: 1.4321e-01 +XStrontianite: 8.5679e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6672,11 +6672,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 487 SrCO3 added: 4.8700e-03 -Log Sigma pi: -8.2977e+00 -XAragonite: 1.4203e-01 -XStrontianite: 8.5797e-01 -XCa: 9.0889e-01 -XSr: 9.1106e-02 +Log Sigma pi: -8.2974e+00 +XAragonite: 1.4289e-01 +XStrontianite: 8.5711e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6685,11 +6685,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 488 SrCO3 added: 4.8800e-03 -Log Sigma pi: -8.2978e+00 -XAragonite: 1.4198e-01 -XStrontianite: 8.5802e-01 -XCa: 9.0886e-01 -XSr: 9.1138e-02 +Log Sigma pi: -8.2974e+00 +XAragonite: 1.4257e-01 +XStrontianite: 8.5743e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6698,11 +6698,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 489 SrCO3 added: 4.8900e-03 -Log Sigma pi: -8.2980e+00 -XAragonite: 1.4194e-01 -XStrontianite: 8.5806e-01 -XCa: 9.0883e-01 -XSr: 9.1170e-02 +Log Sigma pi: -8.2974e+00 +XAragonite: 1.4226e-01 +XStrontianite: 8.5774e-01 +XCa: 9.0147e-01 +XSr: 9.8526e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6711,11 +6711,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 490 SrCO3 added: 4.9000e-03 -Log Sigma pi: -8.2981e+00 -XAragonite: 1.4190e-01 -XStrontianite: 8.5810e-01 -XCa: 9.0880e-01 -XSr: 9.1202e-02 +Log Sigma pi: -8.2974e+00 +XAragonite: 1.4211e-01 +XStrontianite: 8.5789e-01 +XCa: 9.0145e-01 +XSr: 9.8548e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6724,11 +6724,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 491 SrCO3 added: 4.9100e-03 -Log Sigma pi: -8.2982e+00 -XAragonite: 1.4186e-01 -XStrontianite: 8.5814e-01 -XCa: 9.0877e-01 -XSr: 9.1234e-02 +Log Sigma pi: -8.2976e+00 +XAragonite: 1.4206e-01 +XStrontianite: 8.5794e-01 +XCa: 9.0142e-01 +XSr: 9.8584e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6737,11 +6737,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 492 SrCO3 added: 4.9200e-03 -Log Sigma pi: -8.2983e+00 -XAragonite: 1.4181e-01 -XStrontianite: 8.5819e-01 -XCa: 9.0873e-01 -XSr: 9.1266e-02 +Log Sigma pi: -8.2977e+00 +XAragonite: 1.4202e-01 +XStrontianite: 8.5798e-01 +XCa: 9.0138e-01 +XSr: 9.8620e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6750,11 +6750,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 493 SrCO3 added: 4.9300e-03 -Log Sigma pi: -8.2985e+00 -XAragonite: 1.4177e-01 -XStrontianite: 8.5823e-01 -XCa: 9.0870e-01 -XSr: 9.1298e-02 +Log Sigma pi: -8.2979e+00 +XAragonite: 1.4197e-01 +XStrontianite: 8.5803e-01 +XCa: 9.0134e-01 +XSr: 9.8656e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6763,11 +6763,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 494 SrCO3 added: 4.9400e-03 -Log Sigma pi: -8.2986e+00 -XAragonite: 1.4173e-01 -XStrontianite: 8.5827e-01 -XCa: 9.0867e-01 -XSr: 9.1330e-02 +Log Sigma pi: -8.2980e+00 +XAragonite: 1.4193e-01 +XStrontianite: 8.5807e-01 +XCa: 9.0131e-01 +XSr: 9.8692e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6776,11 +6776,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 495 SrCO3 added: 4.9500e-03 -Log Sigma pi: -8.2987e+00 -XAragonite: 1.4169e-01 -XStrontianite: 8.5831e-01 -XCa: 9.0864e-01 -XSr: 9.1362e-02 +Log Sigma pi: -8.2981e+00 +XAragonite: 1.4188e-01 +XStrontianite: 8.5812e-01 +XCa: 9.0127e-01 +XSr: 9.8728e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6789,11 +6789,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 496 SrCO3 added: 4.9600e-03 -Log Sigma pi: -8.2989e+00 -XAragonite: 1.4165e-01 -XStrontianite: 8.5835e-01 -XCa: 9.0861e-01 -XSr: 9.1394e-02 +Log Sigma pi: -8.2983e+00 +XAragonite: 1.4184e-01 +XStrontianite: 8.5816e-01 +XCa: 9.0124e-01 +XSr: 9.8764e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6802,11 +6802,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 497 SrCO3 added: 4.9700e-03 -Log Sigma pi: -8.2990e+00 -XAragonite: 1.4160e-01 -XStrontianite: 8.5840e-01 -XCa: 9.0857e-01 -XSr: 9.1426e-02 +Log Sigma pi: -8.2984e+00 +XAragonite: 1.4179e-01 +XStrontianite: 8.5821e-01 +XCa: 9.0120e-01 +XSr: 9.8800e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6815,11 +6815,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 498 SrCO3 added: 4.9800e-03 -Log Sigma pi: -8.2991e+00 -XAragonite: 1.4156e-01 -XStrontianite: 8.5844e-01 -XCa: 9.0854e-01 -XSr: 9.1458e-02 +Log Sigma pi: -8.2985e+00 +XAragonite: 1.4175e-01 +XStrontianite: 8.5825e-01 +XCa: 9.0116e-01 +XSr: 9.8836e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6828,11 +6828,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 499 SrCO3 added: 4.9900e-03 -Log Sigma pi: -8.2992e+00 -XAragonite: 1.4152e-01 -XStrontianite: 8.5848e-01 -XCa: 9.0851e-01 -XSr: 9.1490e-02 +Log Sigma pi: -8.2987e+00 +XAragonite: 1.4170e-01 +XStrontianite: 8.5830e-01 +XCa: 9.0113e-01 +XSr: 9.8872e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6841,11 +6841,11 @@ Misc 2: 8.5786e-01 Simulation number: 4 Reaction step number: 500 SrCO3 added: 5.0000e-03 -Log Sigma pi: -8.2994e+00 -XAragonite: 1.4148e-01 -XStrontianite: 8.5852e-01 -XCa: 9.0848e-01 -XSr: 9.1522e-02 +Log Sigma pi: -8.2988e+00 +XAragonite: 1.4166e-01 +XStrontianite: 8.5834e-01 +XCa: 9.0109e-01 +XSr: 9.8908e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6860,11 +6860,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 1 SrCO3 added: 5.0000e-03 -Log Sigma pi: -8.2994e+00 -XAragonite: 1.4148e-01 -XStrontianite: 8.5852e-01 -XCa: 9.0848e-01 -XSr: 9.1522e-02 +Log Sigma pi: -8.2988e+00 +XAragonite: 1.4166e-01 +XStrontianite: 8.5834e-01 +XCa: 9.0109e-01 +XSr: 9.8908e-02 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6873,11 +6873,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 2 SrCO3 added: 1.0000e-02 -Log Sigma pi: -8.3561e+00 -XAragonite: 1.2425e-01 -XStrontianite: 8.7575e-01 -XCa: 8.9342e-01 -XSr: 1.0658e-01 +Log Sigma pi: -8.3590e+00 +XAragonite: 1.2345e-01 +XStrontianite: 8.7655e-01 +XCa: 8.8423e-01 +XSr: 1.1577e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6886,11 +6886,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 3 SrCO3 added: 1.5000e-02 -Log Sigma pi: -8.4019e+00 -XAragonite: 1.1192e-01 -XStrontianite: 8.8808e-01 -XCa: 8.7973e-01 -XSr: 1.2027e-01 +Log Sigma pi: -8.4069e+00 +XAragonite: 1.1064e-01 +XStrontianite: 8.8936e-01 +XCa: 8.6904e-01 +XSr: 1.3096e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6899,22 +6899,9 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 4 SrCO3 added: 2.0000e-02 -Log Sigma pi: -8.4405e+00 -XAragonite: 1.0242e-01 -XStrontianite: 8.9758e-01 -XCa: 8.6700e-01 -XSr: 1.3300e-01 -Misc 1: 4.8032e-03 -Misc 2: 8.5786e-01 - -----------------------------------User print----------------------------------- - -Simulation number: 5 -Reaction step number: 5 -SrCO3 added: 2.5000e-02 -Log Sigma pi: -8.4739e+00 -XAragonite: 9.4788e-02 -XStrontianite: 9.0521e-01 +Log Sigma pi: -8.4471e+00 +XAragonite: 1.0088e-01 +XStrontianite: 8.9912e-01 XCa: 8.5501e-01 XSr: 1.4499e-01 Misc 1: 4.8032e-03 @@ -6922,14 +6909,27 @@ Misc 2: 8.5786e-01 ----------------------------------User print----------------------------------- +Simulation number: 5 +Reaction step number: 5 +SrCO3 added: 2.5000e-02 +Log Sigma pi: -8.4816e+00 +XAragonite: 9.3095e-02 +XStrontianite: 9.0690e-01 +XCa: 8.4188e-01 +XSr: 1.5812e-01 +Misc 1: 4.8032e-03 +Misc 2: 8.5786e-01 + +----------------------------------User print----------------------------------- + Simulation number: 5 Reaction step number: 6 SrCO3 added: 3.0000e-02 -Log Sigma pi: -8.5033e+00 -XAragonite: 8.8454e-02 -XStrontianite: 9.1155e-01 -XCa: 8.4365e-01 -XSr: 1.5635e-01 +Log Sigma pi: -8.5119e+00 +XAragonite: 8.6674e-02 +XStrontianite: 9.1333e-01 +XCa: 8.2947e-01 +XSr: 1.7053e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6938,11 +6938,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 7 SrCO3 added: 3.5000e-02 -Log Sigma pi: -8.5296e+00 -XAragonite: 8.3084e-02 -XStrontianite: 9.1692e-01 -XCa: 8.3281e-01 -XSr: 1.6719e-01 +Log Sigma pi: -8.5389e+00 +XAragonite: 8.1255e-02 +XStrontianite: 9.1874e-01 +XCa: 8.1770e-01 +XSr: 1.8230e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6951,11 +6951,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 8 SrCO3 added: 4.0000e-02 -Log Sigma pi: -8.5534e+00 -XAragonite: 7.8452e-02 -XStrontianite: 9.2155e-01 -XCa: 8.2242e-01 -XSr: 1.7758e-01 +Log Sigma pi: -8.5632e+00 +XAragonite: 7.6600e-02 +XStrontianite: 9.2340e-01 +XCa: 8.0646e-01 +XSr: 1.9354e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6964,11 +6964,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 9 SrCO3 added: 4.5000e-02 -Log Sigma pi: -8.5751e+00 -XAragonite: 7.4402e-02 -XStrontianite: 9.2560e-01 -XCa: 8.1245e-01 -XSr: 1.8755e-01 +Log Sigma pi: -8.5853e+00 +XAragonite: 7.2542e-02 +XStrontianite: 9.2746e-01 +XCa: 7.9570e-01 +XSr: 2.0430e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6977,11 +6977,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 10 SrCO3 added: 5.0000e-02 -Log Sigma pi: -8.5949e+00 -XAragonite: 7.0821e-02 -XStrontianite: 9.2918e-01 -XCa: 8.0284e-01 -XSr: 1.9716e-01 +Log Sigma pi: -8.6055e+00 +XAragonite: 6.8965e-02 +XStrontianite: 9.3104e-01 +XCa: 7.8538e-01 +XSr: 2.1462e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -6990,11 +6990,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 11 SrCO3 added: 5.5000e-02 -Log Sigma pi: -8.6133e+00 -XAragonite: 6.7625e-02 -XStrontianite: 9.3237e-01 -XCa: 7.9357e-01 -XSr: 2.0643e-01 +Log Sigma pi: -8.6242e+00 +XAragonite: 6.5780e-02 +XStrontianite: 9.3422e-01 +XCa: 7.7545e-01 +XSr: 2.2455e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7003,11 +7003,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 12 SrCO3 added: 6.0000e-02 -Log Sigma pi: -8.6303e+00 -XAragonite: 6.4751e-02 -XStrontianite: 9.3525e-01 -XCa: 7.8460e-01 -XSr: 2.1540e-01 +Log Sigma pi: -8.6414e+00 +XAragonite: 6.2922e-02 +XStrontianite: 9.3708e-01 +XCa: 7.6587e-01 +XSr: 2.3413e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7016,11 +7016,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 13 SrCO3 added: 6.5000e-02 -Log Sigma pi: -8.6462e+00 -XAragonite: 6.2147e-02 -XStrontianite: 9.3785e-01 -XCa: 7.7593e-01 -XSr: 2.2407e-01 +Log Sigma pi: -8.6575e+00 +XAragonite: 6.0338e-02 +XStrontianite: 9.3966e-01 +XCa: 7.5663e-01 +XSr: 2.4337e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7029,11 +7029,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 14 SrCO3 added: 7.0000e-02 -Log Sigma pi: -8.6610e+00 -XAragonite: 5.9776e-02 -XStrontianite: 9.4022e-01 -XCa: 7.6751e-01 -XSr: 2.3249e-01 +Log Sigma pi: -8.6725e+00 +XAragonite: 5.7989e-02 +XStrontianite: 9.4201e-01 +XCa: 7.4769e-01 +XSr: 2.5231e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7042,11 +7042,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 15 SrCO3 added: 7.5000e-02 -Log Sigma pi: -8.6750e+00 -XAragonite: 5.7604e-02 -XStrontianite: 9.4240e-01 -XCa: 7.5935e-01 -XSr: 2.4065e-01 +Log Sigma pi: -8.6866e+00 +XAragonite: 5.5841e-02 +XStrontianite: 9.4416e-01 +XCa: 7.3903e-01 +XSr: 2.6097e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7055,11 +7055,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 16 SrCO3 added: 8.0000e-02 -Log Sigma pi: -8.6881e+00 -XAragonite: 5.5606e-02 -XStrontianite: 9.4439e-01 -XCa: 7.5142e-01 -XSr: 2.4858e-01 +Log Sigma pi: -8.6998e+00 +XAragonite: 5.3868e-02 +XStrontianite: 9.4613e-01 +XCa: 7.3065e-01 +XSr: 2.6935e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7068,11 +7068,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 17 SrCO3 added: 8.5000e-02 -Log Sigma pi: -8.7005e+00 -XAragonite: 5.3761e-02 -XStrontianite: 9.4624e-01 -XCa: 7.4370e-01 -XSr: 2.5630e-01 +Log Sigma pi: -8.7122e+00 +XAragonite: 5.2047e-02 +XStrontianite: 9.4795e-01 +XCa: 7.2251e-01 +XSr: 2.7749e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7081,11 +7081,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 18 SrCO3 added: 9.0000e-02 -Log Sigma pi: -8.7122e+00 -XAragonite: 5.2050e-02 -XStrontianite: 9.4795e-01 -XCa: 7.3619e-01 -XSr: 2.6381e-01 +Log Sigma pi: -8.7240e+00 +XAragonite: 5.0361e-02 +XStrontianite: 9.4964e-01 +XCa: 7.1460e-01 +XSr: 2.8540e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7094,11 +7094,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 19 SrCO3 added: 9.5000e-02 -Log Sigma pi: -8.7234e+00 -XAragonite: 5.0457e-02 -XStrontianite: 9.4954e-01 -XCa: 7.2888e-01 -XSr: 2.7112e-01 +Log Sigma pi: -8.7352e+00 +XAragonite: 4.8794e-02 +XStrontianite: 9.5121e-01 +XCa: 7.0692e-01 +XSr: 2.9308e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7107,11 +7107,11 @@ Misc 2: 8.5786e-01 Simulation number: 5 Reaction step number: 20 SrCO3 added: 1.0000e-01 -Log Sigma pi: -8.7339e+00 -XAragonite: 4.8972e-02 -XStrontianite: 9.5103e-01 -XCa: 7.2176e-01 -XSr: 2.7824e-01 +Log Sigma pi: -8.7458e+00 +XAragonite: 4.7333e-02 +XStrontianite: 9.5267e-01 +XCa: 6.9945e-01 +XSr: 3.0055e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7126,11 +7126,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 1 SrCO3 added: 1.0000e-01 -Log Sigma pi: -8.7339e+00 -XAragonite: 4.8972e-02 -XStrontianite: 9.5103e-01 -XCa: 7.2176e-01 -XSr: 2.7824e-01 +Log Sigma pi: -8.7458e+00 +XAragonite: 4.7333e-02 +XStrontianite: 9.5267e-01 +XCa: 6.9945e-01 +XSr: 3.0055e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7139,11 +7139,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 2 SrCO3 added: 2.0000e-01 -Log Sigma pi: -8.8751e+00 -XAragonite: 3.1476e-02 -XStrontianite: 9.6852e-01 -XCa: 6.0792e-01 -XSr: 3.9208e-01 +Log Sigma pi: -8.8865e+00 +XAragonite: 3.0238e-02 +XStrontianite: 9.6976e-01 +XCa: 5.8188e-01 +XSr: 4.1812e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7152,11 +7152,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 3 SrCO3 added: 3.0000e-01 -Log Sigma pi: -8.9520e+00 -XAragonite: 2.3569e-02 -XStrontianite: 9.7643e-01 -XCa: 5.2858e-01 -XSr: 4.7142e-01 +Log Sigma pi: -8.9624e+00 +XAragonite: 2.2575e-02 +XStrontianite: 9.7743e-01 +XCa: 5.0176e-01 +XSr: 4.9824e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7165,11 +7165,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 4 SrCO3 added: 4.0000e-01 -Log Sigma pi: -9.0019e+00 -XAragonite: 1.8957e-02 -XStrontianite: 9.8104e-01 -XCa: 4.6899e-01 -XSr: 5.3101e-01 +Log Sigma pi: -9.0114e+00 +XAragonite: 1.8122e-02 +XStrontianite: 9.8188e-01 +XCa: 4.4247e-01 +XSr: 5.5753e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7178,11 +7178,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 5 SrCO3 added: 5.0000e-01 -Log Sigma pi: -9.0375e+00 -XAragonite: 1.5904e-02 -XStrontianite: 9.8410e-01 -XCa: 4.2219e-01 -XSr: 5.7781e-01 +Log Sigma pi: -9.0462e+00 +XAragonite: 1.5184e-02 +XStrontianite: 9.8482e-01 +XCa: 3.9641e-01 +XSr: 6.0359e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7191,11 +7191,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 6 SrCO3 added: 6.0000e-01 -Log Sigma pi: -9.0643e+00 -XAragonite: 1.3723e-02 -XStrontianite: 9.8628e-01 -XCa: 3.8427e-01 -XSr: 6.1573e-01 +Log Sigma pi: -9.0724e+00 +XAragonite: 1.3087e-02 +XStrontianite: 9.8691e-01 +XCa: 3.5942e-01 +XSr: 6.4058e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7204,11 +7204,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 7 SrCO3 added: 7.0000e-01 -Log Sigma pi: -9.0854e+00 -XAragonite: 1.2081e-02 -XStrontianite: 9.8792e-01 -XCa: 3.5284e-01 -XSr: 6.4716e-01 +Log Sigma pi: -9.0929e+00 +XAragonite: 1.1512e-02 +XStrontianite: 9.8849e-01 +XCa: 3.2896e-01 +XSr: 6.7104e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7217,11 +7217,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 8 SrCO3 added: 8.0000e-01 -Log Sigma pi: -9.1024e+00 -XAragonite: 1.0798e-02 -XStrontianite: 9.8920e-01 -XCa: 3.2631e-01 -XSr: 6.7369e-01 +Log Sigma pi: -9.1094e+00 +XAragonite: 1.0282e-02 +XStrontianite: 9.8972e-01 +XCa: 3.0340e-01 +XSr: 6.9660e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7230,11 +7230,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 9 SrCO3 added: 9.0000e-01 -Log Sigma pi: -9.1165e+00 -XAragonite: 9.7659e-03 -XStrontianite: 9.9023e-01 -XCa: 3.0358e-01 -XSr: 6.9642e-01 +Log Sigma pi: -9.1231e+00 +XAragonite: 9.2937e-03 +XStrontianite: 9.9071e-01 +XCa: 2.8162e-01 +XSr: 7.1838e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7243,11 +7243,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 10 SrCO3 added: 1 -Log Sigma pi: -9.1284e+00 -XAragonite: 8.9171e-03 -XStrontianite: 9.9108e-01 -XCa: 2.8389e-01 -XSr: 7.1611e-01 +Log Sigma pi: -9.1345e+00 +XAragonite: 8.4817e-03 +XStrontianite: 9.9152e-01 +XCa: 2.6282e-01 +XSr: 7.3718e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7256,11 +7256,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 11 SrCO3 added: 1.1000e+00 -Log Sigma pi: -9.1385e+00 -XAragonite: 8.2062e-03 -XStrontianite: 9.9179e-01 -XCa: 2.6664e-01 -XSr: 7.3336e-01 +Log Sigma pi: -9.1443e+00 +XAragonite: 7.8020e-03 +XStrontianite: 9.9220e-01 +XCa: 2.4642e-01 +XSr: 7.5358e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7269,11 +7269,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 12 SrCO3 added: 1.2000e+00 -Log Sigma pi: -9.1472e+00 -XAragonite: 7.6017e-03 -XStrontianite: 9.9240e-01 -XCa: 2.5140e-01 -XSr: 7.4860e-01 +Log Sigma pi: -9.1528e+00 +XAragonite: 7.2245e-03 +XStrontianite: 9.9278e-01 +XCa: 2.3197e-01 +XSr: 7.6803e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7282,11 +7282,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 13 SrCO3 added: 1.3000e+00 -Log Sigma pi: -9.1549e+00 -XAragonite: 7.0811e-03 -XStrontianite: 9.9292e-01 -XCa: 2.3784e-01 -XSr: 7.6216e-01 +Log Sigma pi: -9.1601e+00 +XAragonite: 6.7275e-03 +XStrontianite: 9.9327e-01 +XCa: 2.1915e-01 +XSr: 7.8085e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7295,11 +7295,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 14 SrCO3 added: 1.4000e+00 -Log Sigma pi: -9.1616e+00 -XAragonite: 6.6281e-03 -XStrontianite: 9.9337e-01 -XCa: 2.2568e-01 -XSr: 7.7432e-01 +Log Sigma pi: -9.1666e+00 +XAragonite: 6.2951e-03 +XStrontianite: 9.9370e-01 +XCa: 2.0769e-01 +XSr: 7.9231e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7308,11 +7308,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 15 SrCO3 added: 1.5000e+00 -Log Sigma pi: -9.1676e+00 -XAragonite: 6.2301e-03 -XStrontianite: 9.9377e-01 -XCa: 2.1472e-01 -XSr: 7.8528e-01 +Log Sigma pi: -9.1724e+00 +XAragonite: 5.9155e-03 +XStrontianite: 9.9408e-01 +XCa: 1.9738e-01 +XSr: 8.0262e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7321,11 +7321,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 16 SrCO3 added: 1.6000e+00 -Log Sigma pi: -9.1730e+00 -XAragonite: 5.8776e-03 -XStrontianite: 9.9412e-01 -XCa: 2.0479e-01 -XSr: 7.9521e-01 +Log Sigma pi: -9.1775e+00 +XAragonite: 5.5795e-03 +XStrontianite: 9.9442e-01 +XCa: 1.8805e-01 +XSr: 8.1195e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7334,11 +7334,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 17 SrCO3 added: 1.7000e+00 -Log Sigma pi: -9.1778e+00 -XAragonite: 5.5632e-03 -XStrontianite: 9.9444e-01 -XCa: 1.9574e-01 -XSr: 8.0426e-01 +Log Sigma pi: -9.1822e+00 +XAragonite: 5.2798e-03 +XStrontianite: 9.9472e-01 +XCa: 1.7958e-01 +XSr: 8.2042e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7347,11 +7347,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 18 SrCO3 added: 1.8000e+00 -Log Sigma pi: -9.1822e+00 -XAragonite: 5.2810e-03 -XStrontianite: 9.9472e-01 -XCa: 1.8747e-01 -XSr: 8.1253e-01 +Log Sigma pi: -9.1864e+00 +XAragonite: 5.0109e-03 +XStrontianite: 9.9499e-01 +XCa: 1.7184e-01 +XSr: 8.2816e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7360,11 +7360,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 19 SrCO3 added: 1.9000e+00 -Log Sigma pi: -9.1861e+00 -XAragonite: 5.0263e-03 -XStrontianite: 9.9497e-01 -XCa: 1.7987e-01 -XSr: 8.2013e-01 +Log Sigma pi: -9.1902e+00 +XAragonite: 4.7683e-03 +XStrontianite: 9.9523e-01 +XCa: 1.6475e-01 +XSr: 8.3525e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7373,11 +7373,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 20 SrCO3 added: 2 -Log Sigma pi: -9.1898e+00 -XAragonite: 4.7951e-03 -XStrontianite: 9.9520e-01 -XCa: 1.7287e-01 -XSr: 8.2713e-01 +Log Sigma pi: -9.1937e+00 +XAragonite: 4.5482e-03 +XStrontianite: 9.9545e-01 +XCa: 1.5822e-01 +XSr: 8.4178e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7386,11 +7386,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 21 SrCO3 added: 2.1000e+00 -Log Sigma pi: -9.1931e+00 -XAragonite: 4.5844e-03 -XStrontianite: 9.9542e-01 -XCa: 1.6640e-01 -XSr: 8.3360e-01 +Log Sigma pi: -9.1969e+00 +XAragonite: 4.3477e-03 +XStrontianite: 9.9565e-01 +XCa: 1.5219e-01 +XSr: 8.4781e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7399,11 +7399,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 22 SrCO3 added: 2.2000e+00 -Log Sigma pi: -9.1962e+00 -XAragonite: 4.3916e-03 -XStrontianite: 9.9561e-01 -XCa: 1.6040e-01 -XSr: 8.3960e-01 +Log Sigma pi: -9.1998e+00 +XAragonite: 4.1641e-03 +XStrontianite: 9.9584e-01 +XCa: 1.4661e-01 +XSr: 8.5339e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7412,11 +7412,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 23 SrCO3 added: 2.3000e+00 -Log Sigma pi: -9.1990e+00 -XAragonite: 4.2144e-03 -XStrontianite: 9.9579e-01 -XCa: 1.5481e-01 -XSr: 8.4519e-01 +Log Sigma pi: -9.2025e+00 +XAragonite: 3.9956e-03 +XStrontianite: 9.9600e-01 +XCa: 1.4143e-01 +XSr: 8.5857e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7425,11 +7425,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 24 SrCO3 added: 2.4000e+00 -Log Sigma pi: -9.2016e+00 -XAragonite: 4.0510e-03 -XStrontianite: 9.9595e-01 -XCa: 1.4961e-01 -XSr: 8.5039e-01 +Log Sigma pi: -9.2050e+00 +XAragonite: 3.8402e-03 +XStrontianite: 9.9616e-01 +XCa: 1.3660e-01 +XSr: 8.6340e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7438,11 +7438,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 25 SrCO3 added: 2.5000e+00 -Log Sigma pi: -9.2040e+00 -XAragonite: 3.8999e-03 -XStrontianite: 9.9610e-01 -XCa: 1.4475e-01 -XSr: 8.5525e-01 +Log Sigma pi: -9.2073e+00 +XAragonite: 3.6964e-03 +XStrontianite: 9.9630e-01 +XCa: 1.3209e-01 +XSr: 8.6791e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7451,11 +7451,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 26 SrCO3 added: 2.6000e+00 -Log Sigma pi: -9.2063e+00 -XAragonite: 3.7597e-03 -XStrontianite: 9.9624e-01 -XCa: 1.4019e-01 -XSr: 8.5981e-01 +Log Sigma pi: -9.2095e+00 +XAragonite: 3.5631e-03 +XStrontianite: 9.9644e-01 +XCa: 1.2787e-01 +XSr: 8.7213e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7464,11 +7464,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 27 SrCO3 added: 2.7000e+00 -Log Sigma pi: -9.2084e+00 -XAragonite: 3.6292e-03 -XStrontianite: 9.9637e-01 -XCa: 1.3591e-01 -XSr: 8.6409e-01 +Log Sigma pi: -9.2115e+00 +XAragonite: 3.4392e-03 +XStrontianite: 9.9656e-01 +XCa: 1.2391e-01 +XSr: 8.7609e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7477,11 +7477,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 28 SrCO3 added: 2.8000e+00 -Log Sigma pi: -9.2104e+00 -XAragonite: 3.5076e-03 -XStrontianite: 9.9649e-01 -XCa: 1.3189e-01 -XSr: 8.6811e-01 +Log Sigma pi: -9.2134e+00 +XAragonite: 3.3235e-03 +XStrontianite: 9.9668e-01 +XCa: 1.2020e-01 +XSr: 8.7980e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7490,11 +7490,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 29 SrCO3 added: 2.9000e+00 -Log Sigma pi: -9.2123e+00 -XAragonite: 3.3939e-03 -XStrontianite: 9.9661e-01 -XCa: 1.2810e-01 -XSr: 8.7190e-01 +Log Sigma pi: -9.2152e+00 +XAragonite: 3.2155e-03 +XStrontianite: 9.9678e-01 +XCa: 1.1670e-01 +XSr: 8.8330e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7503,11 +7503,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 30 SrCO3 added: 3 -Log Sigma pi: -9.2140e+00 -XAragonite: 3.2873e-03 -XStrontianite: 9.9671e-01 -XCa: 1.2452e-01 -XSr: 8.7548e-01 +Log Sigma pi: -9.2169e+00 +XAragonite: 3.1142e-03 +XStrontianite: 9.9689e-01 +XCa: 1.1339e-01 +XSr: 8.8661e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7516,11 +7516,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 31 SrCO3 added: 3.1000e+00 -Log Sigma pi: -9.2157e+00 -XAragonite: 3.1873e-03 -XStrontianite: 9.9681e-01 -XCa: 1.2114e-01 -XSr: 8.7886e-01 +Log Sigma pi: -9.2185e+00 +XAragonite: 3.0192e-03 +XStrontianite: 9.9698e-01 +XCa: 1.1027e-01 +XSr: 8.8973e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7529,11 +7529,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 32 SrCO3 added: 3.2000e+00 -Log Sigma pi: -9.2172e+00 -XAragonite: 3.0931e-03 -XStrontianite: 9.9691e-01 -XCa: 1.1794e-01 -XSr: 8.8206e-01 +Log Sigma pi: -9.2199e+00 +XAragonite: 2.9298e-03 +XStrontianite: 9.9707e-01 +XCa: 1.0732e-01 +XSr: 8.9268e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7542,11 +7542,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 33 SrCO3 added: 3.3000e+00 -Log Sigma pi: -9.2187e+00 -XAragonite: 3.0044e-03 -XStrontianite: 9.9700e-01 -XCa: 1.1490e-01 -XSr: 8.8510e-01 +Log Sigma pi: -9.2213e+00 +XAragonite: 2.8456e-03 +XStrontianite: 9.9715e-01 +XCa: 1.0453e-01 +XSr: 8.9547e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7555,11 +7555,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 34 SrCO3 added: 3.4000e+00 -Log Sigma pi: -9.2201e+00 -XAragonite: 2.9207e-03 -XStrontianite: 9.9708e-01 -XCa: 1.1202e-01 -XSr: 8.8798e-01 +Log Sigma pi: -9.2227e+00 +XAragonite: 2.7661e-03 +XStrontianite: 9.9723e-01 +XCa: 1.0187e-01 +XSr: 8.9813e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7568,11 +7568,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 35 SrCO3 added: 3.5000e+00 -Log Sigma pi: -9.2214e+00 -XAragonite: 2.8415e-03 -XStrontianite: 9.9716e-01 -XCa: 1.0927e-01 -XSr: 8.9073e-01 +Log Sigma pi: -9.2239e+00 +XAragonite: 2.6909e-03 +XStrontianite: 9.9731e-01 +XCa: 9.9347e-02 +XSr: 9.0065e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7581,11 +7581,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 36 SrCO3 added: 3.6000e+00 -Log Sigma pi: -9.2227e+00 -XAragonite: 2.7665e-03 -XStrontianite: 9.9723e-01 -XCa: 1.0666e-01 -XSr: 8.9334e-01 +Log Sigma pi: -9.2251e+00 +XAragonite: 2.6197e-03 +XStrontianite: 9.9738e-01 +XCa: 9.6947e-02 +XSr: 9.0305e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7594,11 +7594,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 37 SrCO3 added: 3.7000e+00 -Log Sigma pi: -9.2239e+00 -XAragonite: 2.6954e-03 -XStrontianite: 9.9730e-01 -XCa: 1.0417e-01 -XSr: 8.9583e-01 +Log Sigma pi: -9.2263e+00 +XAragonite: 2.5522e-03 +XStrontianite: 9.9745e-01 +XCa: 9.4659e-02 +XSr: 9.0534e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7607,11 +7607,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 38 SrCO3 added: 3.8000e+00 -Log Sigma pi: -9.2250e+00 -XAragonite: 2.6278e-03 -XStrontianite: 9.9737e-01 -XCa: 1.0180e-01 -XSr: 8.9820e-01 +Log Sigma pi: -9.2273e+00 +XAragonite: 2.4881e-03 +XStrontianite: 9.9751e-01 +XCa: 9.2478e-02 +XSr: 9.0752e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7620,11 +7620,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 39 SrCO3 added: 3.9000e+00 -Log Sigma pi: -9.2261e+00 -XAragonite: 2.5636e-03 -XStrontianite: 9.9744e-01 -XCa: 9.9529e-02 -XSr: 9.0047e-01 +Log Sigma pi: -9.2284e+00 +XAragonite: 2.4271e-03 +XStrontianite: 9.9757e-01 +XCa: 9.0395e-02 +XSr: 9.0961e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7633,11 +7633,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 40 SrCO3 added: 4 -Log Sigma pi: -9.2271e+00 -XAragonite: 2.5024e-03 -XStrontianite: 9.9750e-01 -XCa: 9.7359e-02 -XSr: 9.0264e-01 +Log Sigma pi: -9.2294e+00 +XAragonite: 2.3690e-03 +XStrontianite: 9.9763e-01 +XCa: 8.8404e-02 +XSr: 9.1160e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7646,11 +7646,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 41 SrCO3 added: 4.1000e+00 -Log Sigma pi: -9.2281e+00 -XAragonite: 2.4441e-03 -XStrontianite: 9.9756e-01 -XCa: 9.5282e-02 -XSr: 9.0472e-01 +Log Sigma pi: -9.2303e+00 +XAragonite: 2.3137e-03 +XStrontianite: 9.9769e-01 +XCa: 8.6499e-02 +XSr: 9.1350e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7659,11 +7659,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 42 SrCO3 added: 4.2000e+00 -Log Sigma pi: -9.2290e+00 -XAragonite: 2.3884e-03 -XStrontianite: 9.9761e-01 -XCa: 9.3292e-02 -XSr: 9.0671e-01 +Log Sigma pi: -9.2312e+00 +XAragonite: 2.2609e-03 +XStrontianite: 9.9774e-01 +XCa: 8.4674e-02 +XSr: 9.1533e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7672,11 +7672,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 43 SrCO3 added: 4.3000e+00 -Log Sigma pi: -9.2299e+00 -XAragonite: 2.3353e-03 -XStrontianite: 9.9766e-01 -XCa: 9.1384e-02 -XSr: 9.0862e-01 +Log Sigma pi: -9.2320e+00 +XAragonite: 2.2105e-03 +XStrontianite: 9.9779e-01 +XCa: 8.2925e-02 +XSr: 9.1707e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7685,11 +7685,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 44 SrCO3 added: 4.4000e+00 -Log Sigma pi: -9.2308e+00 -XAragonite: 2.2844e-03 -XStrontianite: 9.9772e-01 -XCa: 8.9552e-02 -XSr: 9.1045e-01 +Log Sigma pi: -9.2329e+00 +XAragonite: 2.1623e-03 +XStrontianite: 9.9784e-01 +XCa: 8.1247e-02 +XSr: 9.1875e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7698,11 +7698,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 45 SrCO3 added: 4.5000e+00 -Log Sigma pi: -9.2316e+00 -XAragonite: 2.2358e-03 -XStrontianite: 9.9776e-01 -XCa: 8.7792e-02 -XSr: 9.1221e-01 +Log Sigma pi: -9.2337e+00 +XAragonite: 2.1161e-03 +XStrontianite: 9.9788e-01 +XCa: 7.9636e-02 +XSr: 9.2036e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7711,11 +7711,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 46 SrCO3 added: 4.6000e+00 -Log Sigma pi: -9.2324e+00 -XAragonite: 2.1891e-03 -XStrontianite: 9.9781e-01 -XCa: 8.6101e-02 -XSr: 9.1390e-01 +Log Sigma pi: -9.2344e+00 +XAragonite: 2.0719e-03 +XStrontianite: 9.9793e-01 +XCa: 7.8087e-02 +XSr: 9.2191e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7724,11 +7724,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 47 SrCO3 added: 4.7000e+00 -Log Sigma pi: -9.2332e+00 -XAragonite: 2.1444e-03 -XStrontianite: 9.9786e-01 -XCa: 8.4473e-02 -XSr: 9.1553e-01 +Log Sigma pi: -9.2351e+00 +XAragonite: 2.0294e-03 +XStrontianite: 9.9797e-01 +XCa: 7.6598e-02 +XSr: 9.2340e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7737,11 +7737,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 48 SrCO3 added: 4.8000e+00 -Log Sigma pi: -9.2339e+00 -XAragonite: 2.1014e-03 -XStrontianite: 9.9790e-01 -XCa: 8.2906e-02 -XSr: 9.1709e-01 +Log Sigma pi: -9.2358e+00 +XAragonite: 1.9887e-03 +XStrontianite: 9.9801e-01 +XCa: 7.5164e-02 +XSr: 9.2484e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7750,11 +7750,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 49 SrCO3 added: 4.9000e+00 -Log Sigma pi: -9.2346e+00 -XAragonite: 2.0602e-03 -XStrontianite: 9.9794e-01 -XCa: 8.1396e-02 -XSr: 9.1860e-01 +Log Sigma pi: -9.2365e+00 +XAragonite: 1.9496e-03 +XStrontianite: 9.9805e-01 +XCa: 7.3784e-02 +XSr: 9.2622e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7763,11 +7763,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 50 SrCO3 added: 5 -Log Sigma pi: -9.2353e+00 -XAragonite: 2.0205e-03 -XStrontianite: 9.9798e-01 -XCa: 7.9940e-02 -XSr: 9.2006e-01 +Log Sigma pi: -9.2371e+00 +XAragonite: 1.9120e-03 +XStrontianite: 9.9809e-01 +XCa: 7.2453e-02 +XSr: 9.2755e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7776,11 +7776,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 51 SrCO3 added: 5.1000e+00 -Log Sigma pi: -9.2359e+00 -XAragonite: 1.9824e-03 -XStrontianite: 9.9802e-01 -XCa: 7.8535e-02 -XSr: 9.2146e-01 +Log Sigma pi: -9.2378e+00 +XAragonite: 1.8758e-03 +XStrontianite: 9.9812e-01 +XCa: 7.1169e-02 +XSr: 9.2883e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7789,11 +7789,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 52 SrCO3 added: 5.2000e+00 -Log Sigma pi: -9.2366e+00 -XAragonite: 1.9456e-03 -XStrontianite: 9.9805e-01 -XCa: 7.7179e-02 -XSr: 9.2282e-01 +Log Sigma pi: -9.2384e+00 +XAragonite: 1.8410e-03 +XStrontianite: 9.9816e-01 +XCa: 6.9930e-02 +XSr: 9.3007e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7802,11 +7802,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 53 SrCO3 added: 5.3000e+00 -Log Sigma pi: -9.2372e+00 -XAragonite: 1.9102e-03 -XStrontianite: 9.9809e-01 -XCa: 7.5869e-02 -XSr: 9.2413e-01 +Log Sigma pi: -9.2389e+00 +XAragonite: 1.8074e-03 +XStrontianite: 9.9819e-01 +XCa: 6.8733e-02 +XSr: 9.3127e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7815,11 +7815,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 54 SrCO3 added: 5.4000e+00 -Log Sigma pi: -9.2378e+00 -XAragonite: 1.8761e-03 -XStrontianite: 9.9812e-01 -XCa: 7.4603e-02 -XSr: 9.2540e-01 +Log Sigma pi: -9.2395e+00 +XAragonite: 1.7751e-03 +XStrontianite: 9.9822e-01 +XCa: 6.7577e-02 +XSr: 9.3242e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7828,11 +7828,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 55 SrCO3 added: 5.5000e+00 -Log Sigma pi: -9.2383e+00 -XAragonite: 1.8432e-03 -XStrontianite: 9.9816e-01 -XCa: 7.3379e-02 -XSr: 9.2662e-01 +Log Sigma pi: -9.2400e+00 +XAragonite: 1.7439e-03 +XStrontianite: 9.9826e-01 +XCa: 6.6459e-02 +XSr: 9.3354e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7841,11 +7841,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 56 SrCO3 added: 5.6000e+00 -Log Sigma pi: -9.2389e+00 -XAragonite: 1.8114e-03 -XStrontianite: 9.9819e-01 -XCa: 7.2194e-02 -XSr: 9.2781e-01 +Log Sigma pi: -9.2406e+00 +XAragonite: 1.7137e-03 +XStrontianite: 9.9829e-01 +XCa: 6.5378e-02 +XSr: 9.3462e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7854,11 +7854,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 57 SrCO3 added: 5.7000e+00 -Log Sigma pi: -9.2394e+00 -XAragonite: 1.7806e-03 -XStrontianite: 9.9822e-01 -XCa: 7.1046e-02 -XSr: 9.2895e-01 +Log Sigma pi: -9.2411e+00 +XAragonite: 1.6846e-03 +XStrontianite: 9.9832e-01 +XCa: 6.4331e-02 +XSr: 9.3567e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7867,11 +7867,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 58 SrCO3 added: 5.8000e+00 -Log Sigma pi: -9.2399e+00 -XAragonite: 1.7509e-03 -XStrontianite: 9.9825e-01 -XCa: 6.9935e-02 -XSr: 9.3006e-01 +Log Sigma pi: -9.2415e+00 +XAragonite: 1.6565e-03 +XStrontianite: 9.9834e-01 +XCa: 6.3317e-02 +XSr: 9.3668e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7880,11 +7880,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 59 SrCO3 added: 5.9000e+00 -Log Sigma pi: -9.2404e+00 -XAragonite: 1.7222e-03 -XStrontianite: 9.9828e-01 -XCa: 6.8858e-02 -XSr: 9.3114e-01 +Log Sigma pi: -9.2420e+00 +XAragonite: 1.6293e-03 +XStrontianite: 9.9837e-01 +XCa: 6.2335e-02 +XSr: 9.3766e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7893,11 +7893,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 60 SrCO3 added: 6 -Log Sigma pi: -9.2409e+00 -XAragonite: 1.6944e-03 -XStrontianite: 9.9831e-01 -XCa: 6.7814e-02 -XSr: 9.3219e-01 +Log Sigma pi: -9.2425e+00 +XAragonite: 1.6029e-03 +XStrontianite: 9.9840e-01 +XCa: 6.1383e-02 +XSr: 9.3862e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7906,11 +7906,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 61 SrCO3 added: 6.1000e+00 -Log Sigma pi: -9.2414e+00 -XAragonite: 1.6675e-03 -XStrontianite: 9.9833e-01 -XCa: 6.6801e-02 -XSr: 9.3320e-01 +Log Sigma pi: -9.2429e+00 +XAragonite: 1.5774e-03 +XStrontianite: 9.9842e-01 +XCa: 6.0459e-02 +XSr: 9.3954e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7919,11 +7919,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 62 SrCO3 added: 6.2000e+00 -Log Sigma pi: -9.2418e+00 -XAragonite: 1.6415e-03 -XStrontianite: 9.9836e-01 -XCa: 6.5817e-02 -XSr: 9.3418e-01 +Log Sigma pi: -9.2433e+00 +XAragonite: 1.5527e-03 +XStrontianite: 9.9845e-01 +XCa: 5.9563e-02 +XSr: 9.4044e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7932,11 +7932,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 63 SrCO3 added: 6.3000e+00 -Log Sigma pi: -9.2422e+00 -XAragonite: 1.6162e-03 -XStrontianite: 9.9838e-01 -XCa: 6.4863e-02 -XSr: 9.3514e-01 +Log Sigma pi: -9.2438e+00 +XAragonite: 1.5288e-03 +XStrontianite: 9.9847e-01 +XCa: 5.8693e-02 +XSr: 9.4131e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7945,11 +7945,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 64 SrCO3 added: 6.4000e+00 -Log Sigma pi: -9.2427e+00 -XAragonite: 1.5917e-03 -XStrontianite: 9.9841e-01 -XCa: 6.3935e-02 -XSr: 9.3606e-01 +Log Sigma pi: -9.2442e+00 +XAragonite: 1.5056e-03 +XStrontianite: 9.9849e-01 +XCa: 5.7848e-02 +XSr: 9.4215e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7958,11 +7958,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 65 SrCO3 added: 6.5000e+00 -Log Sigma pi: -9.2431e+00 -XAragonite: 1.5680e-03 -XStrontianite: 9.9843e-01 -XCa: 6.3034e-02 -XSr: 9.3697e-01 +Log Sigma pi: -9.2446e+00 +XAragonite: 1.4831e-03 +XStrontianite: 9.9852e-01 +XCa: 5.7027e-02 +XSr: 9.4297e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7971,11 +7971,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 66 SrCO3 added: 6.6000e+00 -Log Sigma pi: -9.2435e+00 -XAragonite: 1.5449e-03 -XStrontianite: 9.9846e-01 -XCa: 6.2158e-02 -XSr: 9.3784e-01 +Log Sigma pi: -9.2449e+00 +XAragonite: 1.4612e-03 +XStrontianite: 9.9854e-01 +XCa: 5.6230e-02 +XSr: 9.4377e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7984,11 +7984,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 67 SrCO3 added: 6.7000e+00 -Log Sigma pi: -9.2439e+00 -XAragonite: 1.5225e-03 -XStrontianite: 9.9848e-01 -XCa: 6.1306e-02 -XSr: 9.3869e-01 +Log Sigma pi: -9.2453e+00 +XAragonite: 1.4400e-03 +XStrontianite: 9.9856e-01 +XCa: 5.5454e-02 +XSr: 9.4455e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -7997,11 +7997,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 68 SrCO3 added: 6.8000e+00 -Log Sigma pi: -9.2442e+00 -XAragonite: 1.5007e-03 -XStrontianite: 9.9850e-01 -XCa: 6.0477e-02 -XSr: 9.3952e-01 +Log Sigma pi: -9.2457e+00 +XAragonite: 1.4194e-03 +XStrontianite: 9.9858e-01 +XCa: 5.4699e-02 +XSr: 9.4530e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8010,11 +8010,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 69 SrCO3 added: 6.9000e+00 -Log Sigma pi: -9.2446e+00 -XAragonite: 1.4796e-03 -XStrontianite: 9.9852e-01 -XCa: 5.9670e-02 -XSr: 9.4033e-01 +Log Sigma pi: -9.2460e+00 +XAragonite: 1.3994e-03 +XStrontianite: 9.9860e-01 +XCa: 5.3965e-02 +XSr: 9.4604e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8023,11 +8023,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 70 SrCO3 added: 7 -Log Sigma pi: -9.2450e+00 -XAragonite: 1.4591e-03 -XStrontianite: 9.9854e-01 -XCa: 5.8885e-02 -XSr: 9.4112e-01 +Log Sigma pi: -9.2464e+00 +XAragonite: 1.3799e-03 +XStrontianite: 9.9862e-01 +XCa: 5.3250e-02 +XSr: 9.4675e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8036,11 +8036,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 71 SrCO3 added: 7.1000e+00 -Log Sigma pi: -9.2453e+00 -XAragonite: 1.4391e-03 -XStrontianite: 9.9856e-01 -XCa: 5.8119e-02 -XSr: 9.4188e-01 +Log Sigma pi: -9.2467e+00 +XAragonite: 1.3610e-03 +XStrontianite: 9.9864e-01 +XCa: 5.2553e-02 +XSr: 9.4745e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8049,11 +8049,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 72 SrCO3 added: 7.2000e+00 -Log Sigma pi: -9.2457e+00 -XAragonite: 1.4196e-03 -XStrontianite: 9.9858e-01 -XCa: 5.7374e-02 -XSr: 9.4263e-01 +Log Sigma pi: -9.2470e+00 +XAragonite: 1.3426e-03 +XStrontianite: 9.9866e-01 +XCa: 5.1875e-02 +XSr: 9.4812e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8062,11 +8062,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 73 SrCO3 added: 7.3000e+00 -Log Sigma pi: -9.2460e+00 -XAragonite: 1.4007e-03 -XStrontianite: 9.9860e-01 -XCa: 5.6647e-02 -XSr: 9.4335e-01 +Log Sigma pi: -9.2473e+00 +XAragonite: 1.3247e-03 +XStrontianite: 9.9868e-01 +XCa: 5.1214e-02 +XSr: 9.4879e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8075,11 +8075,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 74 SrCO3 added: 7.4000e+00 -Log Sigma pi: -9.2463e+00 -XAragonite: 1.3823e-03 -XStrontianite: 9.9862e-01 -XCa: 5.5939e-02 -XSr: 9.4406e-01 +Log Sigma pi: -9.2476e+00 +XAragonite: 1.3072e-03 +XStrontianite: 9.9869e-01 +XCa: 5.0570e-02 +XSr: 9.4943e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8088,11 +8088,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 75 SrCO3 added: 7.5000e+00 -Log Sigma pi: -9.2466e+00 -XAragonite: 1.3643e-03 -XStrontianite: 9.9864e-01 -XCa: 5.5248e-02 -XSr: 9.4475e-01 +Log Sigma pi: -9.2479e+00 +XAragonite: 1.2902e-03 +XStrontianite: 9.9871e-01 +XCa: 4.9942e-02 +XSr: 9.5006e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8101,11 +8101,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 76 SrCO3 added: 7.6000e+00 -Log Sigma pi: -9.2469e+00 -XAragonite: 1.3468e-03 -XStrontianite: 9.9865e-01 -XCa: 5.4574e-02 -XSr: 9.4543e-01 +Log Sigma pi: -9.2482e+00 +XAragonite: 1.2737e-03 +XStrontianite: 9.9873e-01 +XCa: 4.9329e-02 +XSr: 9.5067e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8114,11 +8114,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 77 SrCO3 added: 7.7000e+00 -Log Sigma pi: -9.2472e+00 -XAragonite: 1.3298e-03 -XStrontianite: 9.9867e-01 -XCa: 5.3916e-02 -XSr: 9.4608e-01 +Log Sigma pi: -9.2485e+00 +XAragonite: 1.2575e-03 +XStrontianite: 9.9874e-01 +XCa: 4.8731e-02 +XSr: 9.5127e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8127,11 +8127,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 78 SrCO3 added: 7.8000e+00 -Log Sigma pi: -9.2475e+00 -XAragonite: 1.3131e-03 -XStrontianite: 9.9869e-01 -XCa: 5.3274e-02 -XSr: 9.4673e-01 +Log Sigma pi: -9.2488e+00 +XAragonite: 1.2418e-03 +XStrontianite: 9.9876e-01 +XCa: 4.8147e-02 +XSr: 9.5185e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8140,11 +8140,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 79 SrCO3 added: 7.9000e+00 -Log Sigma pi: -9.2478e+00 -XAragonite: 1.2969e-03 -XStrontianite: 9.9870e-01 -XCa: 5.2647e-02 -XSr: 9.4735e-01 +Log Sigma pi: -9.2490e+00 +XAragonite: 1.2264e-03 +XStrontianite: 9.9877e-01 +XCa: 4.7577e-02 +XSr: 9.5242e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8153,11 +8153,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 80 SrCO3 added: 8 -Log Sigma pi: -9.2481e+00 -XAragonite: 1.2811e-03 -XStrontianite: 9.9872e-01 -XCa: 5.2035e-02 -XSr: 9.4797e-01 +Log Sigma pi: -9.2493e+00 +XAragonite: 1.2114e-03 +XStrontianite: 9.9879e-01 +XCa: 4.7021e-02 +XSr: 9.5298e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8166,11 +8166,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 81 SrCO3 added: 8.1000e+00 -Log Sigma pi: -9.2484e+00 -XAragonite: 1.2657e-03 -XStrontianite: 9.9873e-01 -XCa: 5.1436e-02 -XSr: 9.4856e-01 +Log Sigma pi: -9.2496e+00 +XAragonite: 1.1968e-03 +XStrontianite: 9.9880e-01 +XCa: 4.6477e-02 +XSr: 9.5352e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8179,11 +8179,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 82 SrCO3 added: 8.2000e+00 -Log Sigma pi: -9.2486e+00 -XAragonite: 1.2506e-03 -XStrontianite: 9.9875e-01 -XCa: 5.0852e-02 -XSr: 9.4915e-01 +Log Sigma pi: -9.2498e+00 +XAragonite: 1.1826e-03 +XStrontianite: 9.9882e-01 +XCa: 4.5946e-02 +XSr: 9.5405e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8192,11 +8192,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 83 SrCO3 added: 8.3000e+00 -Log Sigma pi: -9.2489e+00 -XAragonite: 1.2359e-03 -XStrontianite: 9.9876e-01 -XCa: 5.0280e-02 -XSr: 9.4972e-01 +Log Sigma pi: -9.2501e+00 +XAragonite: 1.1686e-03 +XStrontianite: 9.9883e-01 +XCa: 4.5427e-02 +XSr: 9.5457e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8205,11 +8205,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 84 SrCO3 added: 8.4000e+00 -Log Sigma pi: -9.2491e+00 -XAragonite: 1.2215e-03 -XStrontianite: 9.9878e-01 -XCa: 4.9721e-02 -XSr: 9.5028e-01 +Log Sigma pi: -9.2503e+00 +XAragonite: 1.1550e-03 +XStrontianite: 9.9884e-01 +XCa: 4.4919e-02 +XSr: 9.5508e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8218,11 +8218,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 85 SrCO3 added: 8.5000e+00 -Log Sigma pi: -9.2494e+00 -XAragonite: 1.2075e-03 -XStrontianite: 9.9879e-01 -XCa: 4.9175e-02 -XSr: 9.5083e-01 +Log Sigma pi: -9.2505e+00 +XAragonite: 1.1418e-03 +XStrontianite: 9.9886e-01 +XCa: 4.4423e-02 +XSr: 9.5558e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8231,11 +8231,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 86 SrCO3 added: 8.6000e+00 -Log Sigma pi: -9.2496e+00 -XAragonite: 1.1938e-03 -XStrontianite: 9.9881e-01 -XCa: 4.8640e-02 -XSr: 9.5136e-01 +Log Sigma pi: -9.2508e+00 +XAragonite: 1.1288e-03 +XStrontianite: 9.9887e-01 +XCa: 4.3937e-02 +XSr: 9.5606e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8244,11 +8244,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 87 SrCO3 added: 8.7000e+00 -Log Sigma pi: -9.2499e+00 -XAragonite: 1.1804e-03 -XStrontianite: 9.9882e-01 -XCa: 4.8117e-02 -XSr: 9.5188e-01 +Log Sigma pi: -9.2510e+00 +XAragonite: 1.1161e-03 +XStrontianite: 9.9888e-01 +XCa: 4.3462e-02 +XSr: 9.5654e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8257,11 +8257,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 88 SrCO3 added: 8.8000e+00 -Log Sigma pi: -9.2501e+00 -XAragonite: 1.1673e-03 -XStrontianite: 9.9883e-01 -XCa: 4.7605e-02 -XSr: 9.5239e-01 +Log Sigma pi: -9.2512e+00 +XAragonite: 1.1037e-03 +XStrontianite: 9.9890e-01 +XCa: 4.2997e-02 +XSr: 9.5700e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8270,11 +8270,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 89 SrCO3 added: 8.9000e+00 -Log Sigma pi: -9.2503e+00 -XAragonite: 1.1544e-03 -XStrontianite: 9.9885e-01 -XCa: 4.7104e-02 -XSr: 9.5290e-01 +Log Sigma pi: -9.2514e+00 +XAragonite: 1.0915e-03 +XStrontianite: 9.9891e-01 +XCa: 4.2542e-02 +XSr: 9.5746e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8283,11 +8283,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 90 SrCO3 added: 9 -Log Sigma pi: -9.2505e+00 -XAragonite: 1.1419e-03 -XStrontianite: 9.9886e-01 -XCa: 4.6613e-02 -XSr: 9.5339e-01 +Log Sigma pi: -9.2516e+00 +XAragonite: 1.0796e-03 +XStrontianite: 9.9892e-01 +XCa: 4.2097e-02 +XSr: 9.5790e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8296,11 +8296,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 91 SrCO3 added: 9.1000e+00 -Log Sigma pi: -9.2507e+00 -XAragonite: 1.1296e-03 -XStrontianite: 9.9887e-01 -XCa: 4.6132e-02 -XSr: 9.5387e-01 +Log Sigma pi: -9.2518e+00 +XAragonite: 1.0680e-03 +XStrontianite: 9.9893e-01 +XCa: 4.1661e-02 +XSr: 9.5834e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8309,11 +8309,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 92 SrCO3 added: 9.2000e+00 -Log Sigma pi: -9.2510e+00 -XAragonite: 1.1176e-03 -XStrontianite: 9.9888e-01 -XCa: 4.5662e-02 -XSr: 9.5434e-01 +Log Sigma pi: -9.2520e+00 +XAragonite: 1.0566e-03 +XStrontianite: 9.9894e-01 +XCa: 4.1234e-02 +XSr: 9.5877e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8322,11 +8322,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 93 SrCO3 added: 9.3000e+00 -Log Sigma pi: -9.2512e+00 -XAragonite: 1.1058e-03 -XStrontianite: 9.9889e-01 -XCa: 4.5200e-02 -XSr: 9.5480e-01 +Log Sigma pi: -9.2522e+00 +XAragonite: 1.0455e-03 +XStrontianite: 9.9895e-01 +XCa: 4.0815e-02 +XSr: 9.5919e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8335,11 +8335,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 94 SrCO3 added: 9.4000e+00 -Log Sigma pi: -9.2514e+00 -XAragonite: 1.0943e-03 -XStrontianite: 9.9891e-01 -XCa: 4.4748e-02 -XSr: 9.5525e-01 +Log Sigma pi: -9.2524e+00 +XAragonite: 1.0346e-03 +XStrontianite: 9.9897e-01 +XCa: 4.0405e-02 +XSr: 9.5960e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8348,11 +8348,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 95 SrCO3 added: 9.5000e+00 -Log Sigma pi: -9.2516e+00 -XAragonite: 1.0830e-03 -XStrontianite: 9.9892e-01 -XCa: 4.4305e-02 -XSr: 9.5569e-01 +Log Sigma pi: -9.2526e+00 +XAragonite: 1.0239e-03 +XStrontianite: 9.9898e-01 +XCa: 4.0003e-02 +XSr: 9.6000e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8361,11 +8361,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 96 SrCO3 added: 9.6000e+00 -Log Sigma pi: -9.2518e+00 -XAragonite: 1.0720e-03 -XStrontianite: 9.9893e-01 -XCa: 4.3871e-02 -XSr: 9.5613e-01 +Log Sigma pi: -9.2528e+00 +XAragonite: 1.0135e-03 +XStrontianite: 9.9899e-01 +XCa: 3.9609e-02 +XSr: 9.6039e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8374,11 +8374,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 97 SrCO3 added: 9.7000e+00 -Log Sigma pi: -9.2519e+00 -XAragonite: 1.0612e-03 -XStrontianite: 9.9894e-01 -XCa: 4.3445e-02 -XSr: 9.5656e-01 +Log Sigma pi: -9.2530e+00 +XAragonite: 1.0032e-03 +XStrontianite: 9.9900e-01 +XCa: 3.9222e-02 +XSr: 9.6078e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8387,11 +8387,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 98 SrCO3 added: 9.8000e+00 -Log Sigma pi: -9.2521e+00 -XAragonite: 1.0506e-03 -XStrontianite: 9.9895e-01 -XCa: 4.3027e-02 -XSr: 9.5697e-01 +Log Sigma pi: -9.2531e+00 +XAragonite: 9.9320e-04 +XStrontianite: 9.9901e-01 +XCa: 3.8843e-02 +XSr: 9.6116e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8400,11 +8400,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 99 SrCO3 added: 9.9000e+00 -Log Sigma pi: -9.2523e+00 -XAragonite: 1.0402e-03 -XStrontianite: 9.9896e-01 -XCa: 4.2617e-02 -XSr: 9.5738e-01 +Log Sigma pi: -9.2533e+00 +XAragonite: 9.8336e-04 +XStrontianite: 9.9902e-01 +XCa: 3.8472e-02 +XSr: 9.6153e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 @@ -8413,11 +8413,11 @@ Misc 2: 8.5786e-01 Simulation number: 6 Reaction step number: 100 SrCO3 added: 10 -Log Sigma pi: -9.2525e+00 -XAragonite: 1.0300e-03 -XStrontianite: 9.9897e-01 -XCa: 4.2215e-02 -XSr: 9.5778e-01 +Log Sigma pi: -9.2535e+00 +XAragonite: 9.7371e-04 +XStrontianite: 9.9903e-01 +XCa: 3.8107e-02 +XSr: 9.6189e-01 Misc 1: 4.8032e-03 Misc 2: 8.5786e-01 diff --git a/ex10.sel b/ex10.sel index 4d715b9c..447aec12 100644 --- a/ex10.sel +++ b/ex10.sel @@ -1,621 +1,621 @@ reaction lg_SigmaPi X_Arag X_Stront X_Ca_aq X_Sr_aq mol_Misc1 mol_Misc2 mol_Arag mol_Stront - 1.0000e-05 -8.3356e+00 9.9996e-01 4.2174e-05 9.9905e-01 9.5081e-04 1.0000e-10 1.0000e-10 6.5452e-06 2.7605e-10 - 2.0000e-05 -8.3352e+00 9.9992e-01 8.4457e-05 9.9810e-01 1.9009e-03 1.0000e-10 1.0000e-10 1.3088e-05 1.1055e-09 - 3.0000e-05 -8.3348e+00 9.9987e-01 1.2685e-04 9.9715e-01 2.8504e-03 1.0000e-10 1.0000e-10 1.9629e-05 2.4903e-09 - 4.0000e-05 -8.3345e+00 9.9983e-01 1.6936e-04 9.9620e-01 3.7992e-03 1.0000e-10 1.0000e-10 2.6168e-05 4.4324e-09 - 5.0000e-05 -8.3341e+00 9.9979e-01 2.1197e-04 9.9525e-01 4.7473e-03 1.0000e-10 1.0000e-10 3.2705e-05 6.9339e-09 - 6.0000e-05 -8.3337e+00 9.9975e-01 2.5470e-04 9.9431e-01 5.6947e-03 1.0000e-10 1.0000e-10 3.9239e-05 9.9967e-09 - 7.0000e-05 -8.3333e+00 9.9970e-01 2.9754e-04 9.9336e-01 6.6414e-03 1.0000e-10 1.0000e-10 4.5772e-05 1.3623e-08 - 8.0000e-05 -8.3329e+00 9.9966e-01 3.4049e-04 9.9241e-01 7.5875e-03 1.0000e-10 1.0000e-10 5.2302e-05 1.7814e-08 - 9.0000e-05 -8.3325e+00 9.9962e-01 3.8355e-04 9.9147e-01 8.5329e-03 1.0000e-10 1.0000e-10 5.8831e-05 2.2573e-08 - 1.0000e-04 -8.3321e+00 9.9957e-01 4.2673e-04 9.9052e-01 9.4776e-03 1.0000e-10 1.0000e-10 6.5357e-05 2.7902e-08 - 1.1000e-04 -8.3317e+00 9.9953e-01 4.7002e-04 9.8958e-01 1.0422e-02 1.0000e-10 1.0000e-10 7.1881e-05 3.3801e-08 - 1.2000e-04 -8.3314e+00 9.9949e-01 5.1343e-04 9.8864e-01 1.1365e-02 1.0000e-10 1.0000e-10 7.8402e-05 4.0275e-08 - 1.3000e-04 -8.3310e+00 9.9944e-01 5.5695e-04 9.8769e-01 1.2308e-02 1.0000e-10 1.0000e-10 8.4922e-05 4.7324e-08 - 1.4000e-04 -8.3306e+00 9.9940e-01 6.0059e-04 9.8675e-01 1.3250e-02 1.0000e-10 1.0000e-10 9.1440e-05 5.4951e-08 - 1.5000e-04 -8.3302e+00 9.9936e-01 6.4434e-04 9.8581e-01 1.4191e-02 1.0000e-10 1.0000e-10 9.7955e-05 6.3157e-08 - 1.6000e-04 -8.3298e+00 9.9931e-01 6.8821e-04 9.8487e-01 1.5132e-02 1.0000e-10 1.0000e-10 1.0447e-04 7.1946e-08 - 1.7000e-04 -8.3294e+00 9.9927e-01 7.3220e-04 9.8393e-01 1.6072e-02 1.0000e-10 1.0000e-10 1.1098e-04 8.1319e-08 - 1.8000e-04 -8.3290e+00 9.9922e-01 7.7630e-04 9.8299e-01 1.7011e-02 1.0000e-10 1.0000e-10 1.1749e-04 9.1278e-08 - 1.9000e-04 -8.3286e+00 9.9918e-01 8.2052e-04 9.8205e-01 1.7950e-02 1.0000e-10 1.0000e-10 1.2400e-04 1.0183e-07 - 2.0000e-04 -8.3283e+00 9.9914e-01 8.6487e-04 9.8111e-01 1.8887e-02 1.0000e-10 1.0000e-10 1.3050e-04 1.1296e-07 - 2.1000e-04 -8.3279e+00 9.9909e-01 9.0932e-04 9.8018e-01 1.9825e-02 1.0000e-10 1.0000e-10 1.3700e-04 1.2469e-07 - 2.2000e-04 -8.3275e+00 9.9905e-01 9.5390e-04 9.7924e-01 2.0761e-02 1.0000e-10 1.0000e-10 1.4350e-04 1.3702e-07 - 2.3000e-04 -8.3271e+00 9.9900e-01 9.9860e-04 9.7830e-01 2.1697e-02 1.0000e-10 1.0000e-10 1.5000e-04 1.4994e-07 - 2.4000e-04 -8.3267e+00 9.9896e-01 1.0434e-03 9.7737e-01 2.2633e-02 1.0000e-10 1.0000e-10 1.5650e-04 1.6346e-07 - 2.5000e-04 -8.3263e+00 9.9891e-01 1.0884e-03 9.7643e-01 2.3567e-02 1.0000e-10 1.0000e-10 1.6299e-04 1.7759e-07 - 2.6000e-04 -8.3259e+00 9.9887e-01 1.1334e-03 9.7550e-01 2.4501e-02 1.0000e-10 1.0000e-10 1.6948e-04 1.9232e-07 - 2.7000e-04 -8.3255e+00 9.9882e-01 1.1786e-03 9.7457e-01 2.5434e-02 1.0000e-10 1.0000e-10 1.7597e-04 2.0765e-07 - 2.8000e-04 -8.3252e+00 9.9878e-01 1.2239e-03 9.7363e-01 2.6367e-02 1.0000e-10 1.0000e-10 1.8246e-04 2.2359e-07 - 2.9000e-04 -8.3248e+00 9.9873e-01 1.2693e-03 9.7270e-01 2.7299e-02 1.0000e-10 1.0000e-10 1.8895e-04 2.4014e-07 - 3.0000e-04 -8.3244e+00 9.9869e-01 1.3149e-03 9.7177e-01 2.8230e-02 1.0000e-10 1.0000e-10 1.9543e-04 2.5731e-07 - 3.1000e-04 -8.3240e+00 9.9864e-01 1.3606e-03 9.7084e-01 2.9160e-02 1.0000e-10 1.0000e-10 2.0191e-04 2.7509e-07 - 3.2000e-04 -8.3236e+00 9.9859e-01 1.4064e-03 9.6991e-01 3.0090e-02 1.0000e-10 1.0000e-10 2.0839e-04 2.9349e-07 - 3.3000e-04 -8.3232e+00 9.9855e-01 1.4523e-03 9.6898e-01 3.1019e-02 1.0000e-10 1.0000e-10 2.1487e-04 3.1251e-07 - 3.4000e-04 -8.3228e+00 9.9850e-01 1.4984e-03 9.6805e-01 3.1948e-02 1.0000e-10 1.0000e-10 2.2134e-04 3.3215e-07 - 3.5000e-04 -8.3224e+00 9.9846e-01 1.5445e-03 9.6712e-01 3.2876e-02 1.0000e-10 1.0000e-10 2.2782e-04 3.5242e-07 - 3.6000e-04 -8.3220e+00 9.9841e-01 1.5909e-03 9.6620e-01 3.3803e-02 1.0000e-10 1.0000e-10 2.3429e-04 3.7331e-07 - 3.7000e-04 -8.3217e+00 9.9836e-01 1.6373e-03 9.6527e-01 3.4729e-02 1.0000e-10 1.0000e-10 2.4075e-04 3.9483e-07 - 3.8000e-04 -8.3213e+00 9.9832e-01 1.6839e-03 9.6435e-01 3.5655e-02 1.0000e-10 1.0000e-10 2.4722e-04 4.1699e-07 - 3.9000e-04 -8.3209e+00 9.9827e-01 1.7305e-03 9.6342e-01 3.6580e-02 1.0000e-10 1.0000e-10 2.5368e-04 4.3977e-07 - 4.0000e-04 -8.3205e+00 9.9822e-01 1.7774e-03 9.6250e-01 3.7504e-02 1.0000e-10 1.0000e-10 2.6015e-04 4.6320e-07 - 4.1000e-04 -8.3201e+00 9.9818e-01 1.8243e-03 9.6157e-01 3.8428e-02 1.0000e-10 1.0000e-10 2.6661e-04 4.8726e-07 - 4.2000e-04 -8.3197e+00 9.9813e-01 1.8714e-03 9.6065e-01 3.9351e-02 1.0000e-10 1.0000e-10 2.7306e-04 5.1197e-07 - 4.3000e-04 -8.3193e+00 9.9808e-01 1.9186e-03 9.5973e-01 4.0274e-02 1.0000e-10 1.0000e-10 2.7952e-04 5.3732e-07 - 4.4000e-04 -8.3189e+00 9.9803e-01 1.9660e-03 9.5880e-01 4.1195e-02 1.0000e-10 1.0000e-10 2.8597e-04 5.6332e-07 - 4.5000e-04 -8.3185e+00 9.9799e-01 2.0134e-03 9.5788e-01 4.2117e-02 1.0000e-10 1.0000e-10 2.9242e-04 5.8997e-07 - 4.6000e-04 -8.3182e+00 9.9794e-01 2.0611e-03 9.5696e-01 4.3037e-02 1.0000e-10 1.0000e-10 2.9887e-04 6.1726e-07 - 4.7000e-04 -8.3178e+00 9.9789e-01 2.1088e-03 9.5604e-01 4.3957e-02 1.0000e-10 1.0000e-10 3.0532e-04 6.4522e-07 - 4.8000e-04 -8.3174e+00 9.9784e-01 2.1567e-03 9.5512e-01 4.4876e-02 1.0000e-10 1.0000e-10 3.1176e-04 6.7383e-07 - 4.9000e-04 -8.3170e+00 9.9780e-01 2.2047e-03 9.5421e-01 4.5794e-02 1.0000e-10 1.0000e-10 3.1821e-04 7.0310e-07 - 5.0000e-04 -8.3166e+00 9.9775e-01 2.2528e-03 9.5329e-01 4.6712e-02 1.0000e-10 1.0000e-10 3.2465e-04 7.3303e-07 - 5.1000e-04 -8.3162e+00 9.9770e-01 2.3011e-03 9.5237e-01 4.7629e-02 1.0000e-10 1.0000e-10 3.3108e-04 7.6362e-07 - 5.2000e-04 -8.3158e+00 9.9765e-01 2.3496e-03 9.5146e-01 4.8545e-02 1.0000e-10 1.0000e-10 3.3752e-04 7.9489e-07 - 5.3000e-04 -8.3154e+00 9.9760e-01 2.3981e-03 9.5054e-01 4.9461e-02 1.0000e-10 1.0000e-10 3.4395e-04 8.2682e-07 - 5.4000e-04 -8.3150e+00 9.9755e-01 2.4468e-03 9.4962e-01 5.0376e-02 1.0000e-10 1.0000e-10 3.5038e-04 8.5943e-07 - 5.5000e-04 -8.3146e+00 9.9750e-01 2.4956e-03 9.4871e-01 5.1290e-02 1.0000e-10 1.0000e-10 3.5681e-04 8.9271e-07 - 5.6000e-04 -8.3143e+00 9.9746e-01 2.5446e-03 9.4780e-01 5.2204e-02 1.0000e-10 1.0000e-10 3.6324e-04 9.2667e-07 - 5.7000e-04 -8.3139e+00 9.9741e-01 2.5937e-03 9.4688e-01 5.3117e-02 1.0000e-10 1.0000e-10 3.6967e-04 9.6131e-07 - 5.8000e-04 -8.3135e+00 9.9736e-01 2.6430e-03 9.4597e-01 5.4029e-02 1.0000e-10 1.0000e-10 3.7609e-04 9.9663e-07 - 5.9000e-04 -8.3131e+00 9.9731e-01 2.6924e-03 9.4506e-01 5.4940e-02 1.0000e-10 1.0000e-10 3.8251e-04 1.0326e-06 - 6.0000e-04 -8.3127e+00 9.9726e-01 2.7419e-03 9.4415e-01 5.5851e-02 1.0000e-10 1.0000e-10 3.8893e-04 1.0693e-06 - 6.1000e-04 -8.3123e+00 9.9721e-01 2.7916e-03 9.4324e-01 5.6762e-02 1.0000e-10 1.0000e-10 3.9534e-04 1.1067e-06 - 6.2000e-04 -8.3119e+00 9.9716e-01 2.8414e-03 9.4233e-01 5.7671e-02 1.0000e-10 1.0000e-10 4.0176e-04 1.1448e-06 - 6.3000e-04 -8.3115e+00 9.9711e-01 2.8914e-03 9.4142e-01 5.8580e-02 1.0000e-10 1.0000e-10 4.0817e-04 1.1836e-06 - 6.4000e-04 -8.3111e+00 9.9706e-01 2.9415e-03 9.4051e-01 5.9488e-02 1.0000e-10 1.0000e-10 4.1458e-04 1.2231e-06 - 6.5000e-04 -8.3107e+00 9.9701e-01 2.9918e-03 9.3960e-01 6.0396e-02 1.0000e-10 1.0000e-10 4.2099e-04 1.2633e-06 - 6.6000e-04 -8.3104e+00 9.9696e-01 3.0422e-03 9.3870e-01 6.1303e-02 1.0000e-10 1.0000e-10 4.2739e-04 1.3042e-06 - 6.7000e-04 -8.3100e+00 9.9691e-01 3.0927e-03 9.3779e-01 6.2209e-02 1.0000e-10 1.0000e-10 4.3379e-04 1.3458e-06 - 6.8000e-04 -8.3096e+00 9.9686e-01 3.1434e-03 9.3689e-01 6.3115e-02 1.0000e-10 1.0000e-10 4.4019e-04 1.3881e-06 - 6.9000e-04 -8.3092e+00 9.9681e-01 3.1943e-03 9.3598e-01 6.4019e-02 1.0000e-10 1.0000e-10 4.4659e-04 1.4311e-06 - 7.0000e-04 -8.3088e+00 9.9675e-01 3.2453e-03 9.3508e-01 6.4924e-02 1.0000e-10 1.0000e-10 4.5299e-04 1.4749e-06 - 7.1000e-04 -8.3084e+00 9.9670e-01 3.2964e-03 9.3417e-01 6.5827e-02 1.0000e-10 1.0000e-10 4.5938e-04 1.5193e-06 - 7.2000e-04 -8.3080e+00 9.9665e-01 3.3477e-03 9.3327e-01 6.6730e-02 1.0000e-10 1.0000e-10 4.6578e-04 1.5645e-06 - 7.3000e-04 -8.3076e+00 9.9660e-01 3.3992e-03 9.3237e-01 6.7632e-02 1.0000e-10 1.0000e-10 4.7217e-04 1.6105e-06 - 7.4000e-04 -8.3072e+00 9.9655e-01 3.4508e-03 9.3147e-01 6.8534e-02 1.0000e-10 1.0000e-10 4.7855e-04 1.6571e-06 - 7.5000e-04 -8.3068e+00 9.9650e-01 3.5025e-03 9.3057e-01 6.9434e-02 1.0000e-10 1.0000e-10 4.8494e-04 1.7045e-06 - 7.6000e-04 -8.3064e+00 9.9645e-01 3.5544e-03 9.2967e-01 7.0335e-02 1.0000e-10 1.0000e-10 4.9132e-04 1.7526e-06 - 7.7000e-04 -8.3061e+00 9.9639e-01 3.6065e-03 9.2877e-01 7.1234e-02 1.0000e-10 1.0000e-10 4.9770e-04 1.8015e-06 - 7.8000e-04 -8.3057e+00 9.9634e-01 3.6587e-03 9.2787e-01 7.2133e-02 1.0000e-10 1.0000e-10 5.0408e-04 1.8511e-06 - 7.9000e-04 -8.3053e+00 9.9629e-01 3.7111e-03 9.2697e-01 7.3031e-02 1.0000e-10 1.0000e-10 5.1046e-04 1.9014e-06 - 8.0000e-04 -8.3049e+00 9.9624e-01 3.7636e-03 9.2607e-01 7.3928e-02 1.0000e-10 1.0000e-10 5.1683e-04 1.9525e-06 - 8.1000e-04 -8.3045e+00 9.9618e-01 3.8163e-03 9.2517e-01 7.4825e-02 1.0000e-10 1.0000e-10 5.2320e-04 2.0044e-06 - 8.2000e-04 -8.3041e+00 9.9613e-01 3.8691e-03 9.2428e-01 7.5721e-02 1.0000e-10 1.0000e-10 5.2957e-04 2.0570e-06 - 8.3000e-04 -8.3037e+00 9.9608e-01 3.9221e-03 9.2338e-01 7.6617e-02 1.0000e-10 1.0000e-10 5.3594e-04 2.1103e-06 - 8.4000e-04 -8.3033e+00 9.9602e-01 3.9753e-03 9.2249e-01 7.7511e-02 1.0000e-10 1.0000e-10 5.4231e-04 2.1644e-06 - 8.5000e-04 -8.3029e+00 9.9597e-01 4.0286e-03 9.2159e-01 7.8406e-02 1.0000e-10 1.0000e-10 5.4867e-04 2.2193e-06 - 8.6000e-04 -8.3025e+00 9.9592e-01 4.0821e-03 9.2070e-01 7.9299e-02 1.0000e-10 1.0000e-10 5.5503e-04 2.2750e-06 - 8.7000e-04 -8.3021e+00 9.9586e-01 4.1358e-03 9.1981e-01 8.0192e-02 1.0000e-10 1.0000e-10 5.6139e-04 2.3314e-06 - 8.8000e-04 -8.3017e+00 9.9581e-01 4.1896e-03 9.1892e-01 8.1084e-02 1.0000e-10 1.0000e-10 5.6775e-04 2.3886e-06 - 8.9000e-04 -8.3014e+00 9.9576e-01 4.2435e-03 9.1802e-01 8.1975e-02 1.0000e-10 1.0000e-10 5.7410e-04 2.4466e-06 - 9.0000e-04 -8.3010e+00 9.9570e-01 4.2977e-03 9.1713e-01 8.2866e-02 1.0000e-10 1.0000e-10 5.8045e-04 2.5054e-06 - 9.1000e-04 -8.3006e+00 9.9565e-01 4.3520e-03 9.1624e-01 8.3756e-02 1.0000e-10 1.0000e-10 5.8680e-04 2.5649e-06 - 9.2000e-04 -8.3002e+00 9.9559e-01 4.4064e-03 9.1535e-01 8.4645e-02 1.0000e-10 1.0000e-10 5.9315e-04 2.6253e-06 - 9.3000e-04 -8.2998e+00 9.9554e-01 4.4611e-03 9.1447e-01 8.5534e-02 1.0000e-10 1.0000e-10 5.9950e-04 2.6864e-06 - 9.4000e-04 -8.2994e+00 9.9548e-01 4.5159e-03 9.1358e-01 8.6422e-02 1.0000e-10 1.0000e-10 6.0584e-04 2.7483e-06 - 9.5000e-04 -8.2990e+00 9.9543e-01 4.5708e-03 9.1269e-01 8.7309e-02 1.0000e-10 1.0000e-10 6.1218e-04 2.8110e-06 - 9.6000e-04 -8.2986e+00 9.9537e-01 4.6260e-03 9.1180e-01 8.8196e-02 1.0000e-10 1.0000e-10 6.1852e-04 2.8746e-06 - 9.7000e-04 -8.2982e+00 9.9532e-01 4.6813e-03 9.1092e-01 8.9082e-02 1.0000e-10 1.0000e-10 6.2485e-04 2.9389e-06 - 9.8000e-04 -8.2978e+00 9.9526e-01 4.7368e-03 9.1003e-01 8.9967e-02 1.0000e-10 1.0000e-10 6.3119e-04 3.0040e-06 - 9.9000e-04 -8.2974e+00 9.9521e-01 4.7924e-03 9.0915e-01 9.0852e-02 1.0000e-10 1.0000e-10 6.3752e-04 3.0700e-06 - 1.0000e-03 -8.2974e+00 9.8284e-01 1.7161e-02 9.0898e-01 9.1023e-02 6.4048e-04 9.4144e-06 6.3874e-04 1.1153e-05 - 1.0100e-03 -8.2974e+00 9.6795e-01 3.2055e-02 9.0898e-01 9.1023e-02 6.3881e-04 2.1081e-05 6.3874e-04 2.1153e-05 - 1.0200e-03 -8.2974e+00 9.5350e-01 4.6504e-02 9.0898e-01 9.1023e-02 6.3715e-04 3.2747e-05 6.3874e-04 3.1153e-05 - 1.0300e-03 -8.2974e+00 9.3947e-01 6.0528e-02 9.0898e-01 9.1023e-02 6.3548e-04 4.4413e-05 6.3874e-04 4.1153e-05 - 1.0400e-03 -8.2974e+00 9.2585e-01 7.4146e-02 9.0898e-01 9.1023e-02 6.3382e-04 5.6079e-05 6.3874e-04 5.1153e-05 - 1.0500e-03 -8.2974e+00 9.1263e-01 8.7374e-02 9.0898e-01 9.1023e-02 6.3215e-04 6.7745e-05 6.3874e-04 6.1153e-05 - 1.0600e-03 -8.2974e+00 8.9977e-01 1.0023e-01 9.0898e-01 9.1023e-02 6.3048e-04 7.9412e-05 6.3874e-04 7.1153e-05 - 1.0700e-03 -8.2974e+00 8.8727e-01 1.1273e-01 9.0898e-01 9.1023e-02 6.2882e-04 9.1078e-05 6.3874e-04 8.1153e-05 - 1.0800e-03 -8.2974e+00 8.7512e-01 1.2488e-01 9.0898e-01 9.1023e-02 6.2715e-04 1.0274e-04 6.3874e-04 9.1153e-05 - 1.0900e-03 -8.2974e+00 8.6329e-01 1.3671e-01 9.0898e-01 9.1023e-02 6.2549e-04 1.1441e-04 6.3874e-04 1.0115e-04 - 1.1000e-03 -8.2974e+00 8.5178e-01 1.4822e-01 9.0898e-01 9.1023e-02 6.2382e-04 1.2608e-04 6.3874e-04 1.1115e-04 - 1.1100e-03 -8.2974e+00 8.4057e-01 1.5943e-01 9.0898e-01 9.1023e-02 6.2215e-04 1.3774e-04 6.3874e-04 1.2115e-04 - 1.1200e-03 -8.2974e+00 8.2965e-01 1.7035e-01 9.0898e-01 9.1023e-02 6.2049e-04 1.4941e-04 6.3874e-04 1.3115e-04 - 1.1300e-03 -8.2974e+00 8.1901e-01 1.8099e-01 9.0898e-01 9.1023e-02 6.1882e-04 1.6108e-04 6.3874e-04 1.4115e-04 - 1.1400e-03 -8.2974e+00 8.0864e-01 1.9136e-01 9.0898e-01 9.1023e-02 6.1715e-04 1.7274e-04 6.3874e-04 1.5115e-04 - 1.1500e-03 -8.2974e+00 7.9853e-01 2.0147e-01 9.0898e-01 9.1023e-02 6.1549e-04 1.8441e-04 6.3874e-04 1.6115e-04 - 1.1600e-03 -8.2974e+00 7.8867e-01 2.1133e-01 9.0898e-01 9.1023e-02 6.1382e-04 1.9607e-04 6.3874e-04 1.7115e-04 - 1.1700e-03 -8.2974e+00 7.7905e-01 2.2095e-01 9.0898e-01 9.1023e-02 6.1216e-04 2.0774e-04 6.3874e-04 1.8115e-04 - 1.1800e-03 -8.2974e+00 7.6967e-01 2.3033e-01 9.0898e-01 9.1023e-02 6.1049e-04 2.1941e-04 6.3874e-04 1.9115e-04 - 1.1900e-03 -8.2974e+00 7.6050e-01 2.3950e-01 9.0898e-01 9.1023e-02 6.0882e-04 2.3107e-04 6.3874e-04 2.0115e-04 - 1.2000e-03 -8.2974e+00 7.5155e-01 2.4845e-01 9.0898e-01 9.1023e-02 6.0716e-04 2.4274e-04 6.3874e-04 2.1115e-04 - 1.2100e-03 -8.2974e+00 7.4281e-01 2.5719e-01 9.0898e-01 9.1023e-02 6.0549e-04 2.5440e-04 6.3874e-04 2.2115e-04 - 1.2200e-03 -8.2974e+00 7.3428e-01 2.6572e-01 9.0898e-01 9.1023e-02 6.0382e-04 2.6607e-04 6.3874e-04 2.3115e-04 - 1.2300e-03 -8.2974e+00 7.2593e-01 2.7407e-01 9.0898e-01 9.1023e-02 6.0216e-04 2.7774e-04 6.3874e-04 2.4115e-04 - 1.2400e-03 -8.2974e+00 7.1777e-01 2.8223e-01 9.0898e-01 9.1023e-02 6.0049e-04 2.8940e-04 6.3874e-04 2.5115e-04 - 1.2500e-03 -8.2974e+00 7.0980e-01 2.9020e-01 9.0898e-01 9.1023e-02 5.9883e-04 3.0107e-04 6.3874e-04 2.6115e-04 - 1.2600e-03 -8.2974e+00 7.0200e-01 2.9800e-01 9.0898e-01 9.1023e-02 5.9716e-04 3.1274e-04 6.3874e-04 2.7115e-04 - 1.2700e-03 -8.2974e+00 6.9436e-01 3.0564e-01 9.0898e-01 9.1023e-02 5.9549e-04 3.2440e-04 6.3874e-04 2.8115e-04 - 1.2800e-03 -8.2974e+00 6.8690e-01 3.1310e-01 9.0898e-01 9.1023e-02 5.9383e-04 3.3607e-04 6.3874e-04 2.9115e-04 - 1.2900e-03 -8.2974e+00 6.7959e-01 3.2041e-01 9.0898e-01 9.1023e-02 5.9216e-04 3.4773e-04 6.3874e-04 3.0115e-04 - 1.3000e-03 -8.2974e+00 6.7243e-01 3.2757e-01 9.0898e-01 9.1023e-02 5.9049e-04 3.5940e-04 6.3874e-04 3.1115e-04 - 1.3100e-03 -8.2974e+00 6.6543e-01 3.3457e-01 9.0898e-01 9.1023e-02 5.8883e-04 3.7107e-04 6.3874e-04 3.2115e-04 - 1.3200e-03 -8.2974e+00 6.5857e-01 3.4143e-01 9.0898e-01 9.1023e-02 5.8716e-04 3.8273e-04 6.3874e-04 3.3115e-04 - 1.3300e-03 -8.2974e+00 6.5185e-01 3.4815e-01 9.0898e-01 9.1023e-02 5.8550e-04 3.9440e-04 6.3874e-04 3.4115e-04 - 1.3400e-03 -8.2974e+00 6.4526e-01 3.5474e-01 9.0898e-01 9.1023e-02 5.8383e-04 4.0607e-04 6.3874e-04 3.5115e-04 - 1.3500e-03 -8.2974e+00 6.3881e-01 3.6119e-01 9.0898e-01 9.1023e-02 5.8216e-04 4.1773e-04 6.3874e-04 3.6115e-04 - 1.3600e-03 -8.2974e+00 6.3248e-01 3.6752e-01 9.0898e-01 9.1023e-02 5.8050e-04 4.2940e-04 6.3874e-04 3.7115e-04 - 1.3700e-03 -8.2974e+00 6.2628e-01 3.7372e-01 9.0898e-01 9.1023e-02 5.7883e-04 4.4106e-04 6.3874e-04 3.8115e-04 - 1.3800e-03 -8.2974e+00 6.2020e-01 3.7980e-01 9.0898e-01 9.1023e-02 5.7717e-04 4.5273e-04 6.3874e-04 3.9115e-04 - 1.3900e-03 -8.2974e+00 6.1424e-01 3.8576e-01 9.0898e-01 9.1023e-02 5.7550e-04 4.6440e-04 6.3874e-04 4.0115e-04 - 1.4000e-03 -8.2974e+00 6.0839e-01 3.9161e-01 9.0898e-01 9.1023e-02 5.7383e-04 4.7606e-04 6.3874e-04 4.1115e-04 - 1.4100e-03 -8.2974e+00 6.0265e-01 3.9735e-01 9.0898e-01 9.1023e-02 5.7217e-04 4.8773e-04 6.3874e-04 4.2115e-04 - 1.4200e-03 -8.2974e+00 5.9701e-01 4.0299e-01 9.0898e-01 9.1023e-02 5.7050e-04 4.9939e-04 6.3874e-04 4.3115e-04 - 1.4300e-03 -8.2974e+00 5.9149e-01 4.0851e-01 9.0898e-01 9.1023e-02 5.6883e-04 5.1106e-04 6.3874e-04 4.4115e-04 - 1.4400e-03 -8.2974e+00 5.8606e-01 4.1394e-01 9.0898e-01 9.1023e-02 5.6717e-04 5.2273e-04 6.3874e-04 4.5115e-04 - 1.4500e-03 -8.2974e+00 5.8073e-01 4.1927e-01 9.0898e-01 9.1023e-02 5.6550e-04 5.3439e-04 6.3874e-04 4.6115e-04 - 1.4600e-03 -8.2974e+00 5.7550e-01 4.2450e-01 9.0898e-01 9.1023e-02 5.6384e-04 5.4606e-04 6.3874e-04 4.7115e-04 - 1.4700e-03 -8.2974e+00 5.7036e-01 4.2964e-01 9.0898e-01 9.1023e-02 5.6217e-04 5.5773e-04 6.3874e-04 4.8115e-04 - 1.4800e-03 -8.2974e+00 5.6531e-01 4.3469e-01 9.0898e-01 9.1023e-02 5.6050e-04 5.6939e-04 6.3874e-04 4.9115e-04 - 1.4900e-03 -8.2974e+00 5.6035e-01 4.3965e-01 9.0898e-01 9.1023e-02 5.5884e-04 5.8106e-04 6.3874e-04 5.0115e-04 - 1.5000e-03 -8.2974e+00 5.5548e-01 4.4452e-01 9.0898e-01 9.1023e-02 5.5717e-04 5.9272e-04 6.3874e-04 5.1115e-04 - 1.5100e-03 -8.2974e+00 5.5069e-01 4.4931e-01 9.0898e-01 9.1023e-02 5.5550e-04 6.0439e-04 6.3874e-04 5.2115e-04 - 1.5200e-03 -8.2974e+00 5.4598e-01 4.5402e-01 9.0898e-01 9.1023e-02 5.5384e-04 6.1606e-04 6.3874e-04 5.3115e-04 - 1.5300e-03 -8.2974e+00 5.4136e-01 4.5864e-01 9.0898e-01 9.1023e-02 5.5217e-04 6.2772e-04 6.3874e-04 5.4115e-04 - 1.5400e-03 -8.2974e+00 5.3681e-01 4.6319e-01 9.0898e-01 9.1023e-02 5.5051e-04 6.3939e-04 6.3874e-04 5.5115e-04 - 1.5500e-03 -8.2974e+00 5.3233e-01 4.6767e-01 9.0898e-01 9.1023e-02 5.4884e-04 6.5106e-04 6.3874e-04 5.6115e-04 - 1.5600e-03 -8.2974e+00 5.2793e-01 4.7207e-01 9.0898e-01 9.1023e-02 5.4717e-04 6.6272e-04 6.3874e-04 5.7115e-04 - 1.5700e-03 -8.2974e+00 5.2360e-01 4.7640e-01 9.0898e-01 9.1023e-02 5.4551e-04 6.7439e-04 6.3874e-04 5.8115e-04 - 1.5800e-03 -8.2974e+00 5.1935e-01 4.8065e-01 9.0898e-01 9.1023e-02 5.4384e-04 6.8605e-04 6.3874e-04 5.9115e-04 - 1.5900e-03 -8.2974e+00 5.1516e-01 4.8484e-01 9.0898e-01 9.1023e-02 5.4218e-04 6.9772e-04 6.3874e-04 6.0115e-04 - 1.6000e-03 -8.2974e+00 5.1104e-01 4.8896e-01 9.0898e-01 9.1023e-02 5.4051e-04 7.0939e-04 6.3874e-04 6.1115e-04 - 1.6100e-03 -8.2974e+00 5.0698e-01 4.9302e-01 9.0898e-01 9.1023e-02 5.3884e-04 7.2105e-04 6.3874e-04 6.2115e-04 - 1.6200e-03 -8.2974e+00 5.0299e-01 4.9701e-01 9.0898e-01 9.1023e-02 5.3718e-04 7.3272e-04 6.3874e-04 6.3115e-04 - 1.6300e-03 -8.2974e+00 4.9906e-01 5.0094e-01 9.0898e-01 9.1023e-02 5.3551e-04 7.4439e-04 6.3874e-04 6.4115e-04 - 1.6400e-03 -8.2974e+00 4.9519e-01 5.0481e-01 9.0898e-01 9.1023e-02 5.3384e-04 7.5605e-04 6.3874e-04 6.5115e-04 - 1.6500e-03 -8.2974e+00 4.9138e-01 5.0862e-01 9.0898e-01 9.1023e-02 5.3218e-04 7.6772e-04 6.3874e-04 6.6115e-04 - 1.6600e-03 -8.2974e+00 4.8763e-01 5.1237e-01 9.0898e-01 9.1023e-02 5.3051e-04 7.7938e-04 6.3874e-04 6.7115e-04 - 1.6700e-03 -8.2974e+00 4.8393e-01 5.1607e-01 9.0898e-01 9.1023e-02 5.2885e-04 7.9105e-04 6.3874e-04 6.8115e-04 - 1.6800e-03 -8.2974e+00 4.8030e-01 5.1970e-01 9.0898e-01 9.1023e-02 5.2718e-04 8.0272e-04 6.3874e-04 6.9115e-04 - 1.6900e-03 -8.2974e+00 4.7671e-01 5.2329e-01 9.0898e-01 9.1023e-02 5.2551e-04 8.1438e-04 6.3874e-04 7.0115e-04 - 1.7000e-03 -8.2974e+00 4.7318e-01 5.2682e-01 9.0898e-01 9.1023e-02 5.2385e-04 8.2605e-04 6.3874e-04 7.1115e-04 - 1.7100e-03 -8.2974e+00 4.6970e-01 5.3030e-01 9.0898e-01 9.1023e-02 5.2218e-04 8.3771e-04 6.3874e-04 7.2115e-04 - 1.7200e-03 -8.2974e+00 4.6627e-01 5.3373e-01 9.0898e-01 9.1023e-02 5.2051e-04 8.4938e-04 6.3874e-04 7.3115e-04 - 1.7300e-03 -8.2974e+00 4.6289e-01 5.3711e-01 9.0898e-01 9.1023e-02 5.1885e-04 8.6105e-04 6.3874e-04 7.4115e-04 - 1.7400e-03 -8.2974e+00 4.5956e-01 5.4044e-01 9.0898e-01 9.1023e-02 5.1718e-04 8.7271e-04 6.3874e-04 7.5115e-04 - 1.7500e-03 -8.2974e+00 4.5628e-01 5.4372e-01 9.0898e-01 9.1023e-02 5.1552e-04 8.8438e-04 6.3874e-04 7.6115e-04 - 1.7600e-03 -8.2974e+00 4.5304e-01 5.4696e-01 9.0898e-01 9.1023e-02 5.1385e-04 8.9605e-04 6.3874e-04 7.7115e-04 - 1.7700e-03 -8.2974e+00 4.4985e-01 5.5015e-01 9.0898e-01 9.1023e-02 5.1218e-04 9.0771e-04 6.3874e-04 7.8115e-04 - 1.7800e-03 -8.2974e+00 4.4671e-01 5.5329e-01 9.0898e-01 9.1023e-02 5.1052e-04 9.1938e-04 6.3874e-04 7.9115e-04 - 1.7900e-03 -8.2974e+00 4.4360e-01 5.5640e-01 9.0898e-01 9.1023e-02 5.0885e-04 9.3104e-04 6.3874e-04 8.0115e-04 - 1.8000e-03 -8.2974e+00 4.4054e-01 5.5946e-01 9.0898e-01 9.1023e-02 5.0718e-04 9.4271e-04 6.3874e-04 8.1115e-04 - 1.8100e-03 -8.2974e+00 4.3753e-01 5.6247e-01 9.0898e-01 9.1023e-02 5.0552e-04 9.5438e-04 6.3874e-04 8.2115e-04 - 1.8200e-03 -8.2974e+00 4.3455e-01 5.6545e-01 9.0898e-01 9.1023e-02 5.0385e-04 9.6604e-04 6.3874e-04 8.3115e-04 - 1.8300e-03 -8.2974e+00 4.3161e-01 5.6839e-01 9.0898e-01 9.1023e-02 5.0219e-04 9.7771e-04 6.3874e-04 8.4115e-04 - 1.8400e-03 -8.2974e+00 4.2872e-01 5.7128e-01 9.0898e-01 9.1023e-02 5.0052e-04 9.8938e-04 6.3874e-04 8.5115e-04 - 1.8500e-03 -8.2974e+00 4.2586e-01 5.7414e-01 9.0898e-01 9.1023e-02 4.9885e-04 1.0010e-03 6.3874e-04 8.6115e-04 - 1.8600e-03 -8.2974e+00 4.2304e-01 5.7696e-01 9.0898e-01 9.1023e-02 4.9719e-04 1.0127e-03 6.3874e-04 8.7115e-04 - 1.8700e-03 -8.2974e+00 4.2025e-01 5.7975e-01 9.0898e-01 9.1023e-02 4.9552e-04 1.0244e-03 6.3874e-04 8.8115e-04 - 1.8800e-03 -8.2974e+00 4.1751e-01 5.8249e-01 9.0898e-01 9.1023e-02 4.9386e-04 1.0360e-03 6.3874e-04 8.9115e-04 - 1.8900e-03 -8.2974e+00 4.1480e-01 5.8520e-01 9.0898e-01 9.1023e-02 4.9219e-04 1.0477e-03 6.3874e-04 9.0115e-04 - 1.9000e-03 -8.2974e+00 4.1212e-01 5.8788e-01 9.0898e-01 9.1023e-02 4.9052e-04 1.0594e-03 6.3874e-04 9.1115e-04 - 1.9100e-03 -8.2974e+00 4.0948e-01 5.9052e-01 9.0898e-01 9.1023e-02 4.8886e-04 1.0710e-03 6.3874e-04 9.2115e-04 - 1.9200e-03 -8.2974e+00 4.0687e-01 5.9313e-01 9.0898e-01 9.1023e-02 4.8719e-04 1.0827e-03 6.3874e-04 9.3115e-04 - 1.9300e-03 -8.2974e+00 4.0429e-01 5.9571e-01 9.0898e-01 9.1023e-02 4.8552e-04 1.0944e-03 6.3874e-04 9.4115e-04 - 1.9400e-03 -8.2974e+00 4.0175e-01 5.9825e-01 9.0898e-01 9.1023e-02 4.8386e-04 1.1060e-03 6.3874e-04 9.5115e-04 - 1.9500e-03 -8.2974e+00 3.9924e-01 6.0076e-01 9.0898e-01 9.1023e-02 4.8219e-04 1.1177e-03 6.3874e-04 9.6115e-04 - 1.9600e-03 -8.2974e+00 3.9676e-01 6.0324e-01 9.0898e-01 9.1023e-02 4.8053e-04 1.1294e-03 6.3874e-04 9.7115e-04 - 1.9700e-03 -8.2974e+00 3.9431e-01 6.0569e-01 9.0898e-01 9.1023e-02 4.7886e-04 1.1410e-03 6.3874e-04 9.8115e-04 - 1.9800e-03 -8.2974e+00 3.9189e-01 6.0811e-01 9.0898e-01 9.1023e-02 4.7719e-04 1.1527e-03 6.3874e-04 9.9115e-04 - 1.9900e-03 -8.2974e+00 3.8950e-01 6.1050e-01 9.0898e-01 9.1023e-02 4.7553e-04 1.1644e-03 6.3874e-04 1.0012e-03 - 2.0000e-03 -8.2974e+00 3.8714e-01 6.1286e-01 9.0898e-01 9.1023e-02 4.7386e-04 1.1760e-03 6.3874e-04 1.0112e-03 - 2.0100e-03 -8.2974e+00 3.8481e-01 6.1519e-01 9.0898e-01 9.1023e-02 4.7219e-04 1.1877e-03 6.3874e-04 1.0212e-03 - 2.0200e-03 -8.2974e+00 3.8250e-01 6.1750e-01 9.0898e-01 9.1023e-02 4.7053e-04 1.1994e-03 6.3874e-04 1.0312e-03 - 2.0300e-03 -8.2974e+00 3.8023e-01 6.1977e-01 9.0898e-01 9.1023e-02 4.6886e-04 1.2110e-03 6.3874e-04 1.0412e-03 - 2.0400e-03 -8.2974e+00 3.7798e-01 6.2202e-01 9.0898e-01 9.1023e-02 4.6720e-04 1.2227e-03 6.3874e-04 1.0512e-03 - 2.0500e-03 -8.2974e+00 3.7575e-01 6.2425e-01 9.0898e-01 9.1023e-02 4.6553e-04 1.2344e-03 6.3874e-04 1.0612e-03 - 2.0600e-03 -8.2974e+00 3.7356e-01 6.2644e-01 9.0898e-01 9.1023e-02 4.6386e-04 1.2460e-03 6.3874e-04 1.0712e-03 - 2.0700e-03 -8.2974e+00 3.7138e-01 6.2862e-01 9.0898e-01 9.1023e-02 4.6220e-04 1.2577e-03 6.3874e-04 1.0812e-03 - 2.0800e-03 -8.2974e+00 3.6924e-01 6.3076e-01 9.0898e-01 9.1023e-02 4.6053e-04 1.2694e-03 6.3874e-04 1.0912e-03 - 2.0900e-03 -8.2974e+00 3.6712e-01 6.3288e-01 9.0898e-01 9.1023e-02 4.5887e-04 1.2810e-03 6.3874e-04 1.1012e-03 - 2.1000e-03 -8.2974e+00 3.6502e-01 6.3498e-01 9.0898e-01 9.1023e-02 4.5720e-04 1.2927e-03 6.3874e-04 1.1112e-03 - 2.1100e-03 -8.2974e+00 3.6294e-01 6.3706e-01 9.0898e-01 9.1023e-02 4.5553e-04 1.3044e-03 6.3874e-04 1.1212e-03 - 2.1200e-03 -8.2974e+00 3.6089e-01 6.3911e-01 9.0898e-01 9.1023e-02 4.5387e-04 1.3160e-03 6.3874e-04 1.1312e-03 - 2.1300e-03 -8.2974e+00 3.5887e-01 6.4113e-01 9.0898e-01 9.1023e-02 4.5220e-04 1.3277e-03 6.3874e-04 1.1412e-03 - 2.1400e-03 -8.2974e+00 3.5686e-01 6.4314e-01 9.0898e-01 9.1023e-02 4.5053e-04 1.3394e-03 6.3874e-04 1.1512e-03 - 2.1500e-03 -8.2974e+00 3.5488e-01 6.4512e-01 9.0898e-01 9.1023e-02 4.4887e-04 1.3510e-03 6.3874e-04 1.1612e-03 - 2.1600e-03 -8.2974e+00 3.5292e-01 6.4708e-01 9.0898e-01 9.1023e-02 4.4720e-04 1.3627e-03 6.3874e-04 1.1712e-03 - 2.1700e-03 -8.2974e+00 3.5098e-01 6.4902e-01 9.0898e-01 9.1023e-02 4.4554e-04 1.3744e-03 6.3874e-04 1.1812e-03 - 2.1800e-03 -8.2974e+00 3.4906e-01 6.5094e-01 9.0898e-01 9.1023e-02 4.4387e-04 1.3860e-03 6.3874e-04 1.1912e-03 - 2.1900e-03 -8.2974e+00 3.4716e-01 6.5284e-01 9.0898e-01 9.1023e-02 4.4220e-04 1.3977e-03 6.3874e-04 1.2012e-03 - 2.2000e-03 -8.2974e+00 3.4529e-01 6.5471e-01 9.0898e-01 9.1023e-02 4.4054e-04 1.4094e-03 6.3874e-04 1.2112e-03 - 2.2100e-03 -8.2974e+00 3.4343e-01 6.5657e-01 9.0898e-01 9.1023e-02 4.3887e-04 1.4210e-03 6.3874e-04 1.2212e-03 - 2.2200e-03 -8.2974e+00 3.4159e-01 6.5841e-01 9.0898e-01 9.1023e-02 4.3720e-04 1.4327e-03 6.3874e-04 1.2312e-03 - 2.2300e-03 -8.2974e+00 3.3978e-01 6.6022e-01 9.0898e-01 9.1023e-02 4.3554e-04 1.4444e-03 6.3874e-04 1.2412e-03 - 2.2400e-03 -8.2974e+00 3.3798e-01 6.6202e-01 9.0898e-01 9.1023e-02 4.3387e-04 1.4560e-03 6.3874e-04 1.2512e-03 - 2.2500e-03 -8.2974e+00 3.3620e-01 6.6380e-01 9.0898e-01 9.1023e-02 4.3221e-04 1.4677e-03 6.3874e-04 1.2612e-03 - 2.2600e-03 -8.2974e+00 3.3444e-01 6.6556e-01 9.0898e-01 9.1023e-02 4.3054e-04 1.4794e-03 6.3874e-04 1.2712e-03 - 2.2700e-03 -8.2974e+00 3.3270e-01 6.6730e-01 9.0898e-01 9.1023e-02 4.2887e-04 1.4910e-03 6.3874e-04 1.2812e-03 - 2.2800e-03 -8.2974e+00 3.3097e-01 6.6903e-01 9.0898e-01 9.1023e-02 4.2721e-04 1.5027e-03 6.3874e-04 1.2912e-03 - 2.2900e-03 -8.2974e+00 3.2927e-01 6.7073e-01 9.0898e-01 9.1023e-02 4.2554e-04 1.5144e-03 6.3874e-04 1.3012e-03 - 2.3000e-03 -8.2974e+00 3.2758e-01 6.7242e-01 9.0898e-01 9.1023e-02 4.2387e-04 1.5260e-03 6.3874e-04 1.3112e-03 - 2.3100e-03 -8.2974e+00 3.2591e-01 6.7409e-01 9.0898e-01 9.1023e-02 4.2221e-04 1.5377e-03 6.3874e-04 1.3212e-03 - 2.3200e-03 -8.2974e+00 3.2425e-01 6.7575e-01 9.0898e-01 9.1023e-02 4.2054e-04 1.5494e-03 6.3874e-04 1.3312e-03 - 2.3300e-03 -8.2974e+00 3.2261e-01 6.7739e-01 9.0898e-01 9.1023e-02 4.1888e-04 1.5610e-03 6.3874e-04 1.3412e-03 - 2.3400e-03 -8.2974e+00 3.2099e-01 6.7901e-01 9.0898e-01 9.1023e-02 4.1721e-04 1.5727e-03 6.3874e-04 1.3512e-03 - 2.3500e-03 -8.2974e+00 3.1939e-01 6.8061e-01 9.0898e-01 9.1023e-02 4.1554e-04 1.5844e-03 6.3874e-04 1.3612e-03 - 2.3600e-03 -8.2974e+00 3.1780e-01 6.8220e-01 9.0898e-01 9.1023e-02 4.1388e-04 1.5960e-03 6.3874e-04 1.3712e-03 - 2.3700e-03 -8.2974e+00 3.1623e-01 6.8377e-01 9.0898e-01 9.1023e-02 4.1221e-04 1.6077e-03 6.3874e-04 1.3812e-03 - 2.3800e-03 -8.2974e+00 3.1467e-01 6.8533e-01 9.0898e-01 9.1023e-02 4.1055e-04 1.6194e-03 6.3874e-04 1.3912e-03 - 2.3900e-03 -8.2974e+00 3.1313e-01 6.8687e-01 9.0898e-01 9.1023e-02 4.0888e-04 1.6310e-03 6.3874e-04 1.4012e-03 - 2.4000e-03 -8.2974e+00 3.1160e-01 6.8840e-01 9.0898e-01 9.1023e-02 4.0721e-04 1.6427e-03 6.3874e-04 1.4112e-03 - 2.4100e-03 -8.2974e+00 3.1009e-01 6.8991e-01 9.0898e-01 9.1023e-02 4.0555e-04 1.6543e-03 6.3874e-04 1.4212e-03 - 2.4200e-03 -8.2974e+00 3.0859e-01 6.9141e-01 9.0898e-01 9.1023e-02 4.0388e-04 1.6660e-03 6.3874e-04 1.4312e-03 - 2.4300e-03 -8.2974e+00 3.0710e-01 6.9290e-01 9.0898e-01 9.1023e-02 4.0221e-04 1.6777e-03 6.3874e-04 1.4412e-03 - 2.4400e-03 -8.2974e+00 3.0563e-01 6.9437e-01 9.0898e-01 9.1023e-02 4.0055e-04 1.6893e-03 6.3874e-04 1.4512e-03 - 2.4500e-03 -8.2974e+00 3.0418e-01 6.9582e-01 9.0898e-01 9.1023e-02 3.9888e-04 1.7010e-03 6.3874e-04 1.4612e-03 - 2.4600e-03 -8.2974e+00 3.0274e-01 6.9726e-01 9.0898e-01 9.1023e-02 3.9722e-04 1.7127e-03 6.3874e-04 1.4712e-03 - 2.4700e-03 -8.2974e+00 3.0131e-01 6.9869e-01 9.0898e-01 9.1023e-02 3.9555e-04 1.7243e-03 6.3874e-04 1.4812e-03 - 2.4800e-03 -8.2974e+00 2.9989e-01 7.0011e-01 9.0898e-01 9.1023e-02 3.9388e-04 1.7360e-03 6.3874e-04 1.4912e-03 - 2.4900e-03 -8.2974e+00 2.9849e-01 7.0151e-01 9.0898e-01 9.1023e-02 3.9222e-04 1.7477e-03 6.3874e-04 1.5012e-03 - 2.5000e-03 -8.2974e+00 2.9710e-01 7.0290e-01 9.0898e-01 9.1023e-02 3.9055e-04 1.7593e-03 6.3874e-04 1.5112e-03 - 2.5100e-03 -8.2974e+00 2.9573e-01 7.0427e-01 9.0898e-01 9.1023e-02 3.8888e-04 1.7710e-03 6.3874e-04 1.5212e-03 - 2.5200e-03 -8.2974e+00 2.9437e-01 7.0563e-01 9.0898e-01 9.1023e-02 3.8722e-04 1.7827e-03 6.3874e-04 1.5312e-03 - 2.5300e-03 -8.2974e+00 2.9302e-01 7.0698e-01 9.0898e-01 9.1023e-02 3.8555e-04 1.7943e-03 6.3874e-04 1.5412e-03 - 2.5400e-03 -8.2974e+00 2.9168e-01 7.0832e-01 9.0898e-01 9.1023e-02 3.8389e-04 1.8060e-03 6.3874e-04 1.5512e-03 - 2.5500e-03 -8.2974e+00 2.9035e-01 7.0965e-01 9.0898e-01 9.1023e-02 3.8222e-04 1.8177e-03 6.3874e-04 1.5612e-03 - 2.5600e-03 -8.2974e+00 2.8904e-01 7.1096e-01 9.0898e-01 9.1023e-02 3.8055e-04 1.8293e-03 6.3874e-04 1.5712e-03 - 2.5700e-03 -8.2974e+00 2.8774e-01 7.1226e-01 9.0898e-01 9.1023e-02 3.7889e-04 1.8410e-03 6.3874e-04 1.5812e-03 - 2.5800e-03 -8.2974e+00 2.8645e-01 7.1355e-01 9.0898e-01 9.1023e-02 3.7722e-04 1.8527e-03 6.3874e-04 1.5912e-03 - 2.5900e-03 -8.2974e+00 2.8517e-01 7.1483e-01 9.0898e-01 9.1023e-02 3.7555e-04 1.8643e-03 6.3874e-04 1.6012e-03 - 2.6000e-03 -8.2974e+00 2.8390e-01 7.1610e-01 9.0898e-01 9.1023e-02 3.7389e-04 1.8760e-03 6.3874e-04 1.6112e-03 - 2.6100e-03 -8.2974e+00 2.8264e-01 7.1736e-01 9.0898e-01 9.1023e-02 3.7222e-04 1.8877e-03 6.3874e-04 1.6212e-03 - 2.6200e-03 -8.2974e+00 2.8140e-01 7.1860e-01 9.0898e-01 9.1023e-02 3.7056e-04 1.8993e-03 6.3874e-04 1.6312e-03 - 2.6300e-03 -8.2974e+00 2.8016e-01 7.1984e-01 9.0898e-01 9.1023e-02 3.6889e-04 1.9110e-03 6.3874e-04 1.6412e-03 - 2.6400e-03 -8.2974e+00 2.7894e-01 7.2106e-01 9.0898e-01 9.1023e-02 3.6722e-04 1.9227e-03 6.3874e-04 1.6512e-03 - 2.6500e-03 -8.2974e+00 2.7773e-01 7.2227e-01 9.0898e-01 9.1023e-02 3.6556e-04 1.9343e-03 6.3874e-04 1.6612e-03 - 2.6600e-03 -8.2974e+00 2.7652e-01 7.2348e-01 9.0898e-01 9.1023e-02 3.6389e-04 1.9460e-03 6.3874e-04 1.6712e-03 - 2.6700e-03 -8.2974e+00 2.7533e-01 7.2467e-01 9.0898e-01 9.1023e-02 3.6223e-04 1.9577e-03 6.3874e-04 1.6812e-03 - 2.6800e-03 -8.2974e+00 2.7415e-01 7.2585e-01 9.0898e-01 9.1023e-02 3.6056e-04 1.9693e-03 6.3874e-04 1.6912e-03 - 2.6900e-03 -8.2974e+00 2.7298e-01 7.2702e-01 9.0898e-01 9.1023e-02 3.5889e-04 1.9810e-03 6.3874e-04 1.7012e-03 - 2.7000e-03 -8.2974e+00 2.7182e-01 7.2818e-01 9.0898e-01 9.1023e-02 3.5723e-04 1.9927e-03 6.3874e-04 1.7112e-03 - 2.7100e-03 -8.2974e+00 2.7067e-01 7.2933e-01 9.0898e-01 9.1023e-02 3.5556e-04 2.0043e-03 6.3874e-04 1.7212e-03 - 2.7200e-03 -8.2974e+00 2.6952e-01 7.3048e-01 9.0898e-01 9.1023e-02 3.5389e-04 2.0160e-03 6.3874e-04 1.7312e-03 - 2.7300e-03 -8.2974e+00 2.6839e-01 7.3161e-01 9.0898e-01 9.1023e-02 3.5223e-04 2.0277e-03 6.3874e-04 1.7412e-03 - 2.7400e-03 -8.2974e+00 2.6727e-01 7.3273e-01 9.0898e-01 9.1023e-02 3.5056e-04 2.0393e-03 6.3874e-04 1.7512e-03 - 2.7500e-03 -8.2974e+00 2.6615e-01 7.3385e-01 9.0898e-01 9.1023e-02 3.4890e-04 2.0510e-03 6.3874e-04 1.7612e-03 - 2.7600e-03 -8.2974e+00 2.6505e-01 7.3495e-01 9.0898e-01 9.1023e-02 3.4723e-04 2.0627e-03 6.3874e-04 1.7712e-03 - 2.7700e-03 -8.2974e+00 2.6395e-01 7.3605e-01 9.0898e-01 9.1023e-02 3.4556e-04 2.0743e-03 6.3874e-04 1.7812e-03 - 2.7800e-03 -8.2974e+00 2.6287e-01 7.3713e-01 9.0898e-01 9.1023e-02 3.4390e-04 2.0860e-03 6.3874e-04 1.7912e-03 - 2.7900e-03 -8.2974e+00 2.6179e-01 7.3821e-01 9.0898e-01 9.1023e-02 3.4223e-04 2.0977e-03 6.3874e-04 1.8012e-03 - 2.8000e-03 -8.2974e+00 2.6072e-01 7.3928e-01 9.0898e-01 9.1023e-02 3.4056e-04 2.1093e-03 6.3874e-04 1.8112e-03 - 2.8100e-03 -8.2974e+00 2.5966e-01 7.4034e-01 9.0898e-01 9.1023e-02 3.3890e-04 2.1210e-03 6.3874e-04 1.8212e-03 - 2.8200e-03 -8.2974e+00 2.5861e-01 7.4139e-01 9.0898e-01 9.1023e-02 3.3723e-04 2.1327e-03 6.3874e-04 1.8312e-03 - 2.8300e-03 -8.2974e+00 2.5757e-01 7.4243e-01 9.0898e-01 9.1023e-02 3.3557e-04 2.1443e-03 6.3874e-04 1.8412e-03 - 2.8400e-03 -8.2974e+00 2.5653e-01 7.4347e-01 9.0898e-01 9.1023e-02 3.3390e-04 2.1560e-03 6.3874e-04 1.8512e-03 - 2.8500e-03 -8.2974e+00 2.5551e-01 7.4449e-01 9.0898e-01 9.1023e-02 3.3223e-04 2.1677e-03 6.3874e-04 1.8612e-03 - 2.8600e-03 -8.2974e+00 2.5449e-01 7.4551e-01 9.0898e-01 9.1023e-02 3.3057e-04 2.1793e-03 6.3874e-04 1.8712e-03 - 2.8700e-03 -8.2974e+00 2.5348e-01 7.4652e-01 9.0898e-01 9.1023e-02 3.2890e-04 2.1910e-03 6.3874e-04 1.8812e-03 - 2.8800e-03 -8.2974e+00 2.5248e-01 7.4752e-01 9.0898e-01 9.1023e-02 3.2724e-04 2.2027e-03 6.3874e-04 1.8912e-03 - 2.8900e-03 -8.2974e+00 2.5148e-01 7.4852e-01 9.0898e-01 9.1023e-02 3.2557e-04 2.2143e-03 6.3874e-04 1.9012e-03 - 2.9000e-03 -8.2974e+00 2.5050e-01 7.4950e-01 9.0898e-01 9.1023e-02 3.2390e-04 2.2260e-03 6.3874e-04 1.9112e-03 - 2.9100e-03 -8.2974e+00 2.4952e-01 7.5048e-01 9.0898e-01 9.1023e-02 3.2224e-04 2.2377e-03 6.3874e-04 1.9212e-03 - 2.9200e-03 -8.2974e+00 2.4855e-01 7.5145e-01 9.0898e-01 9.1023e-02 3.2057e-04 2.2493e-03 6.3874e-04 1.9312e-03 - 2.9300e-03 -8.2974e+00 2.4758e-01 7.5242e-01 9.0898e-01 9.1023e-02 3.1890e-04 2.2610e-03 6.3874e-04 1.9412e-03 - 2.9400e-03 -8.2974e+00 2.4663e-01 7.5337e-01 9.0898e-01 9.1023e-02 3.1724e-04 2.2727e-03 6.3874e-04 1.9512e-03 - 2.9500e-03 -8.2974e+00 2.4568e-01 7.5432e-01 9.0898e-01 9.1023e-02 3.1557e-04 2.2843e-03 6.3874e-04 1.9612e-03 - 2.9600e-03 -8.2974e+00 2.4474e-01 7.5526e-01 9.0898e-01 9.1023e-02 3.1391e-04 2.2960e-03 6.3874e-04 1.9712e-03 - 2.9700e-03 -8.2974e+00 2.4380e-01 7.5620e-01 9.0898e-01 9.1023e-02 3.1224e-04 2.3077e-03 6.3874e-04 1.9812e-03 - 2.9800e-03 -8.2974e+00 2.4288e-01 7.5712e-01 9.0898e-01 9.1023e-02 3.1057e-04 2.3193e-03 6.3874e-04 1.9912e-03 - 2.9900e-03 -8.2974e+00 2.4196e-01 7.5804e-01 9.0898e-01 9.1023e-02 3.0891e-04 2.3310e-03 6.3874e-04 2.0012e-03 - 3.0000e-03 -8.2974e+00 2.4104e-01 7.5896e-01 9.0898e-01 9.1023e-02 3.0724e-04 2.3427e-03 6.3874e-04 2.0112e-03 - 3.0100e-03 -8.2974e+00 2.4014e-01 7.5986e-01 9.0898e-01 9.1023e-02 3.0557e-04 2.3543e-03 6.3874e-04 2.0212e-03 - 3.0200e-03 -8.2974e+00 2.3924e-01 7.6076e-01 9.0898e-01 9.1023e-02 3.0391e-04 2.3660e-03 6.3874e-04 2.0312e-03 - 3.0300e-03 -8.2974e+00 2.3835e-01 7.6165e-01 9.0898e-01 9.1023e-02 3.0224e-04 2.3777e-03 6.3874e-04 2.0412e-03 - 3.0400e-03 -8.2974e+00 2.3746e-01 7.6254e-01 9.0898e-01 9.1023e-02 3.0058e-04 2.3893e-03 6.3874e-04 2.0512e-03 - 3.0500e-03 -8.2974e+00 2.3658e-01 7.6342e-01 9.0898e-01 9.1023e-02 2.9891e-04 2.4010e-03 6.3874e-04 2.0612e-03 - 3.0600e-03 -8.2974e+00 2.3571e-01 7.6429e-01 9.0898e-01 9.1023e-02 2.9724e-04 2.4127e-03 6.3874e-04 2.0712e-03 - 3.0700e-03 -8.2974e+00 2.3484e-01 7.6516e-01 9.0898e-01 9.1023e-02 2.9558e-04 2.4243e-03 6.3874e-04 2.0812e-03 - 3.0800e-03 -8.2974e+00 2.3398e-01 7.6602e-01 9.0898e-01 9.1023e-02 2.9391e-04 2.4360e-03 6.3874e-04 2.0912e-03 - 3.0900e-03 -8.2974e+00 2.3313e-01 7.6687e-01 9.0898e-01 9.1023e-02 2.9224e-04 2.4477e-03 6.3874e-04 2.1012e-03 - 3.1000e-03 -8.2974e+00 2.3228e-01 7.6772e-01 9.0898e-01 9.1023e-02 2.9058e-04 2.4593e-03 6.3874e-04 2.1112e-03 - 3.1100e-03 -8.2974e+00 2.3144e-01 7.6856e-01 9.0898e-01 9.1023e-02 2.8891e-04 2.4710e-03 6.3874e-04 2.1212e-03 - 3.1200e-03 -8.2974e+00 2.3060e-01 7.6940e-01 9.0898e-01 9.1023e-02 2.8725e-04 2.4826e-03 6.3874e-04 2.1312e-03 - 3.1300e-03 -8.2974e+00 2.2977e-01 7.7023e-01 9.0898e-01 9.1023e-02 2.8558e-04 2.4943e-03 6.3874e-04 2.1412e-03 - 3.1400e-03 -8.2974e+00 2.2895e-01 7.7105e-01 9.0898e-01 9.1023e-02 2.8391e-04 2.5060e-03 6.3874e-04 2.1512e-03 - 3.1500e-03 -8.2974e+00 2.2813e-01 7.7187e-01 9.0898e-01 9.1023e-02 2.8225e-04 2.5176e-03 6.3874e-04 2.1612e-03 - 3.1600e-03 -8.2974e+00 2.2732e-01 7.7268e-01 9.0898e-01 9.1023e-02 2.8058e-04 2.5293e-03 6.3874e-04 2.1712e-03 - 3.1700e-03 -8.2974e+00 2.2651e-01 7.7349e-01 9.0898e-01 9.1023e-02 2.7892e-04 2.5410e-03 6.3874e-04 2.1812e-03 - 3.1800e-03 -8.2974e+00 2.2571e-01 7.7429e-01 9.0898e-01 9.1023e-02 2.7725e-04 2.5526e-03 6.3874e-04 2.1912e-03 - 3.1900e-03 -8.2974e+00 2.2492e-01 7.7508e-01 9.0898e-01 9.1023e-02 2.7558e-04 2.5643e-03 6.3874e-04 2.2012e-03 - 3.2000e-03 -8.2974e+00 2.2413e-01 7.7587e-01 9.0898e-01 9.1023e-02 2.7392e-04 2.5760e-03 6.3874e-04 2.2112e-03 - 3.2100e-03 -8.2974e+00 2.2334e-01 7.7666e-01 9.0898e-01 9.1023e-02 2.7225e-04 2.5876e-03 6.3874e-04 2.2212e-03 - 3.2200e-03 -8.2974e+00 2.2257e-01 7.7743e-01 9.0898e-01 9.1023e-02 2.7058e-04 2.5993e-03 6.3874e-04 2.2312e-03 - 3.2300e-03 -8.2974e+00 2.2179e-01 7.7821e-01 9.0898e-01 9.1023e-02 2.6892e-04 2.6110e-03 6.3874e-04 2.2412e-03 - 3.2400e-03 -8.2974e+00 2.2103e-01 7.7897e-01 9.0898e-01 9.1023e-02 2.6725e-04 2.6226e-03 6.3874e-04 2.2512e-03 - 3.2500e-03 -8.2974e+00 2.2026e-01 7.7974e-01 9.0898e-01 9.1023e-02 2.6559e-04 2.6343e-03 6.3874e-04 2.2612e-03 - 3.2600e-03 -8.2974e+00 2.1951e-01 7.8049e-01 9.0898e-01 9.1023e-02 2.6392e-04 2.6460e-03 6.3874e-04 2.2712e-03 - 3.2700e-03 -8.2974e+00 2.1876e-01 7.8124e-01 9.0898e-01 9.1023e-02 2.6225e-04 2.6576e-03 6.3874e-04 2.2812e-03 - 3.2800e-03 -8.2974e+00 2.1801e-01 7.8199e-01 9.0898e-01 9.1023e-02 2.6059e-04 2.6693e-03 6.3874e-04 2.2912e-03 - 3.2900e-03 -8.2974e+00 2.1727e-01 7.8273e-01 9.0898e-01 9.1023e-02 2.5892e-04 2.6810e-03 6.3874e-04 2.3012e-03 - 3.3000e-03 -8.2974e+00 2.1653e-01 7.8347e-01 9.0898e-01 9.1023e-02 2.5725e-04 2.6926e-03 6.3874e-04 2.3112e-03 - 3.3100e-03 -8.2974e+00 2.1580e-01 7.8420e-01 9.0898e-01 9.1023e-02 2.5559e-04 2.7043e-03 6.3874e-04 2.3212e-03 - 3.3200e-03 -8.2974e+00 2.1507e-01 7.8493e-01 9.0898e-01 9.1023e-02 2.5392e-04 2.7160e-03 6.3874e-04 2.3312e-03 - 3.3300e-03 -8.2974e+00 2.1435e-01 7.8565e-01 9.0898e-01 9.1023e-02 2.5226e-04 2.7276e-03 6.3874e-04 2.3412e-03 - 3.3400e-03 -8.2974e+00 2.1363e-01 7.8637e-01 9.0898e-01 9.1023e-02 2.5059e-04 2.7393e-03 6.3874e-04 2.3512e-03 - 3.3500e-03 -8.2974e+00 2.1292e-01 7.8708e-01 9.0898e-01 9.1023e-02 2.4892e-04 2.7510e-03 6.3874e-04 2.3612e-03 - 3.3600e-03 -8.2974e+00 2.1221e-01 7.8779e-01 9.0898e-01 9.1023e-02 2.4726e-04 2.7626e-03 6.3874e-04 2.3712e-03 - 3.3700e-03 -8.2974e+00 2.1151e-01 7.8849e-01 9.0898e-01 9.1023e-02 2.4559e-04 2.7743e-03 6.3874e-04 2.3812e-03 - 3.3800e-03 -8.2974e+00 2.1081e-01 7.8919e-01 9.0898e-01 9.1023e-02 2.4392e-04 2.7860e-03 6.3874e-04 2.3912e-03 - 3.3900e-03 -8.2974e+00 2.1012e-01 7.8988e-01 9.0898e-01 9.1023e-02 2.4226e-04 2.7976e-03 6.3874e-04 2.4012e-03 - 3.4000e-03 -8.2974e+00 2.0943e-01 7.9057e-01 9.0898e-01 9.1023e-02 2.4059e-04 2.8093e-03 6.3874e-04 2.4112e-03 - 3.4100e-03 -8.2974e+00 2.0875e-01 7.9125e-01 9.0898e-01 9.1023e-02 2.3893e-04 2.8210e-03 6.3874e-04 2.4212e-03 - 3.4200e-03 -8.2974e+00 2.0807e-01 7.9193e-01 9.0898e-01 9.1023e-02 2.3726e-04 2.8326e-03 6.3874e-04 2.4312e-03 - 3.4300e-03 -8.2974e+00 2.0739e-01 7.9261e-01 9.0898e-01 9.1023e-02 2.3559e-04 2.8443e-03 6.3874e-04 2.4412e-03 - 3.4400e-03 -8.2974e+00 2.0672e-01 7.9328e-01 9.0898e-01 9.1023e-02 2.3393e-04 2.8560e-03 6.3874e-04 2.4512e-03 - 3.4500e-03 -8.2974e+00 2.0605e-01 7.9395e-01 9.0898e-01 9.1023e-02 2.3226e-04 2.8676e-03 6.3874e-04 2.4612e-03 - 3.4600e-03 -8.2974e+00 2.0539e-01 7.9461e-01 9.0898e-01 9.1023e-02 2.3060e-04 2.8793e-03 6.3874e-04 2.4712e-03 - 3.4700e-03 -8.2974e+00 2.0473e-01 7.9527e-01 9.0898e-01 9.1023e-02 2.2893e-04 2.8910e-03 6.3874e-04 2.4812e-03 - 3.4800e-03 -8.2974e+00 2.0408e-01 7.9592e-01 9.0898e-01 9.1023e-02 2.2726e-04 2.9026e-03 6.3874e-04 2.4912e-03 - 3.4900e-03 -8.2974e+00 2.0343e-01 7.9657e-01 9.0898e-01 9.1023e-02 2.2560e-04 2.9143e-03 6.3874e-04 2.5012e-03 - 3.5000e-03 -8.2974e+00 2.0278e-01 7.9722e-01 9.0898e-01 9.1023e-02 2.2393e-04 2.9260e-03 6.3874e-04 2.5112e-03 - 3.5100e-03 -8.2974e+00 2.0214e-01 7.9786e-01 9.0898e-01 9.1023e-02 2.2226e-04 2.9376e-03 6.3874e-04 2.5212e-03 - 3.5200e-03 -8.2974e+00 2.0150e-01 7.9850e-01 9.0898e-01 9.1023e-02 2.2060e-04 2.9493e-03 6.3874e-04 2.5312e-03 - 3.5300e-03 -8.2974e+00 2.0087e-01 7.9913e-01 9.0898e-01 9.1023e-02 2.1893e-04 2.9610e-03 6.3874e-04 2.5412e-03 - 3.5400e-03 -8.2974e+00 2.0024e-01 7.9976e-01 9.0898e-01 9.1023e-02 2.1727e-04 2.9726e-03 6.3874e-04 2.5512e-03 - 3.5500e-03 -8.2974e+00 1.9961e-01 8.0039e-01 9.0898e-01 9.1023e-02 2.1560e-04 2.9843e-03 6.3874e-04 2.5612e-03 - 3.5600e-03 -8.2974e+00 1.9899e-01 8.0101e-01 9.0898e-01 9.1023e-02 2.1393e-04 2.9960e-03 6.3874e-04 2.5712e-03 - 3.5700e-03 -8.2974e+00 1.9837e-01 8.0163e-01 9.0898e-01 9.1023e-02 2.1227e-04 3.0076e-03 6.3874e-04 2.5812e-03 - 3.5800e-03 -8.2974e+00 1.9776e-01 8.0224e-01 9.0898e-01 9.1023e-02 2.1060e-04 3.0193e-03 6.3874e-04 2.5912e-03 - 3.5900e-03 -8.2974e+00 1.9715e-01 8.0285e-01 9.0898e-01 9.1023e-02 2.0893e-04 3.0310e-03 6.3874e-04 2.6012e-03 - 3.6000e-03 -8.2974e+00 1.9654e-01 8.0346e-01 9.0898e-01 9.1023e-02 2.0727e-04 3.0426e-03 6.3874e-04 2.6112e-03 - 3.6100e-03 -8.2974e+00 1.9594e-01 8.0406e-01 9.0898e-01 9.1023e-02 2.0560e-04 3.0543e-03 6.3874e-04 2.6212e-03 - 3.6200e-03 -8.2974e+00 1.9534e-01 8.0466e-01 9.0898e-01 9.1023e-02 2.0394e-04 3.0660e-03 6.3874e-04 2.6312e-03 - 3.6300e-03 -8.2974e+00 1.9474e-01 8.0526e-01 9.0898e-01 9.1023e-02 2.0227e-04 3.0776e-03 6.3874e-04 2.6412e-03 - 3.6400e-03 -8.2974e+00 1.9415e-01 8.0585e-01 9.0898e-01 9.1023e-02 2.0060e-04 3.0893e-03 6.3874e-04 2.6512e-03 - 3.6500e-03 -8.2974e+00 1.9356e-01 8.0644e-01 9.0898e-01 9.1023e-02 1.9894e-04 3.1010e-03 6.3874e-04 2.6612e-03 - 3.6600e-03 -8.2974e+00 1.9298e-01 8.0702e-01 9.0898e-01 9.1023e-02 1.9727e-04 3.1126e-03 6.3874e-04 2.6712e-03 - 3.6700e-03 -8.2974e+00 1.9240e-01 8.0760e-01 9.0898e-01 9.1023e-02 1.9561e-04 3.1243e-03 6.3874e-04 2.6812e-03 - 3.6800e-03 -8.2974e+00 1.9182e-01 8.0818e-01 9.0898e-01 9.1023e-02 1.9394e-04 3.1360e-03 6.3874e-04 2.6912e-03 - 3.6900e-03 -8.2974e+00 1.9125e-01 8.0875e-01 9.0898e-01 9.1023e-02 1.9227e-04 3.1476e-03 6.3874e-04 2.7012e-03 - 3.7000e-03 -8.2974e+00 1.9068e-01 8.0932e-01 9.0898e-01 9.1023e-02 1.9061e-04 3.1593e-03 6.3874e-04 2.7112e-03 - 3.7100e-03 -8.2974e+00 1.9011e-01 8.0989e-01 9.0898e-01 9.1023e-02 1.8894e-04 3.1710e-03 6.3874e-04 2.7212e-03 - 3.7200e-03 -8.2974e+00 1.8954e-01 8.1046e-01 9.0898e-01 9.1023e-02 1.8727e-04 3.1826e-03 6.3874e-04 2.7312e-03 - 3.7300e-03 -8.2974e+00 1.8898e-01 8.1102e-01 9.0898e-01 9.1023e-02 1.8561e-04 3.1943e-03 6.3874e-04 2.7412e-03 - 3.7400e-03 -8.2974e+00 1.8843e-01 8.1157e-01 9.0898e-01 9.1023e-02 1.8394e-04 3.2060e-03 6.3874e-04 2.7512e-03 - 3.7500e-03 -8.2974e+00 1.8787e-01 8.1213e-01 9.0898e-01 9.1023e-02 1.8228e-04 3.2176e-03 6.3874e-04 2.7612e-03 - 3.7600e-03 -8.2974e+00 1.8732e-01 8.1268e-01 9.0898e-01 9.1023e-02 1.8061e-04 3.2293e-03 6.3874e-04 2.7712e-03 - 3.7700e-03 -8.2974e+00 1.8677e-01 8.1323e-01 9.0898e-01 9.1023e-02 1.7894e-04 3.2410e-03 6.3874e-04 2.7812e-03 - 3.7800e-03 -8.2974e+00 1.8623e-01 8.1377e-01 9.0898e-01 9.1023e-02 1.7728e-04 3.2526e-03 6.3874e-04 2.7912e-03 - 3.7900e-03 -8.2974e+00 1.8569e-01 8.1431e-01 9.0898e-01 9.1023e-02 1.7561e-04 3.2643e-03 6.3874e-04 2.8012e-03 - 3.8000e-03 -8.2974e+00 1.8515e-01 8.1485e-01 9.0898e-01 9.1023e-02 1.7394e-04 3.2760e-03 6.3874e-04 2.8112e-03 - 3.8100e-03 -8.2974e+00 1.8461e-01 8.1539e-01 9.0898e-01 9.1023e-02 1.7228e-04 3.2876e-03 6.3874e-04 2.8212e-03 - 3.8200e-03 -8.2974e+00 1.8408e-01 8.1592e-01 9.0898e-01 9.1023e-02 1.7061e-04 3.2993e-03 6.3874e-04 2.8312e-03 - 3.8300e-03 -8.2974e+00 1.8355e-01 8.1645e-01 9.0898e-01 9.1023e-02 1.6895e-04 3.3109e-03 6.3874e-04 2.8412e-03 - 3.8400e-03 -8.2974e+00 1.8303e-01 8.1697e-01 9.0898e-01 9.1023e-02 1.6728e-04 3.3226e-03 6.3874e-04 2.8512e-03 - 3.8500e-03 -8.2974e+00 1.8250e-01 8.1750e-01 9.0898e-01 9.1023e-02 1.6561e-04 3.3343e-03 6.3874e-04 2.8612e-03 - 3.8600e-03 -8.2974e+00 1.8198e-01 8.1802e-01 9.0898e-01 9.1023e-02 1.6395e-04 3.3459e-03 6.3874e-04 2.8712e-03 - 3.8700e-03 -8.2974e+00 1.8147e-01 8.1853e-01 9.0898e-01 9.1023e-02 1.6228e-04 3.3576e-03 6.3874e-04 2.8812e-03 - 3.8800e-03 -8.2974e+00 1.8095e-01 8.1905e-01 9.0898e-01 9.1023e-02 1.6061e-04 3.3693e-03 6.3874e-04 2.8912e-03 - 3.8900e-03 -8.2974e+00 1.8044e-01 8.1956e-01 9.0898e-01 9.1023e-02 1.5895e-04 3.3809e-03 6.3874e-04 2.9012e-03 - 3.9000e-03 -8.2974e+00 1.7993e-01 8.2007e-01 9.0898e-01 9.1023e-02 1.5728e-04 3.3926e-03 6.3874e-04 2.9112e-03 - 3.9100e-03 -8.2974e+00 1.7943e-01 8.2057e-01 9.0898e-01 9.1023e-02 1.5562e-04 3.4043e-03 6.3874e-04 2.9212e-03 - 3.9200e-03 -8.2974e+00 1.7892e-01 8.2108e-01 9.0898e-01 9.1023e-02 1.5395e-04 3.4159e-03 6.3874e-04 2.9312e-03 - 3.9300e-03 -8.2974e+00 1.7842e-01 8.2158e-01 9.0898e-01 9.1023e-02 1.5228e-04 3.4276e-03 6.3874e-04 2.9412e-03 - 3.9400e-03 -8.2974e+00 1.7793e-01 8.2207e-01 9.0898e-01 9.1023e-02 1.5062e-04 3.4393e-03 6.3874e-04 2.9512e-03 - 3.9500e-03 -8.2974e+00 1.7743e-01 8.2257e-01 9.0898e-01 9.1023e-02 1.4895e-04 3.4509e-03 6.3874e-04 2.9612e-03 - 3.9600e-03 -8.2974e+00 1.7694e-01 8.2306e-01 9.0898e-01 9.1023e-02 1.4729e-04 3.4626e-03 6.3874e-04 2.9712e-03 - 3.9700e-03 -8.2974e+00 1.7645e-01 8.2355e-01 9.0898e-01 9.1023e-02 1.4562e-04 3.4743e-03 6.3874e-04 2.9812e-03 - 3.9800e-03 -8.2974e+00 1.7597e-01 8.2403e-01 9.0898e-01 9.1023e-02 1.4395e-04 3.4859e-03 6.3874e-04 2.9912e-03 - 3.9900e-03 -8.2974e+00 1.7548e-01 8.2452e-01 9.0898e-01 9.1023e-02 1.4229e-04 3.4976e-03 6.3874e-04 3.0012e-03 - 4.0000e-03 -8.2974e+00 1.7500e-01 8.2500e-01 9.0898e-01 9.1023e-02 1.4062e-04 3.5093e-03 6.3874e-04 3.0112e-03 - 4.0100e-03 -8.2974e+00 1.7452e-01 8.2548e-01 9.0898e-01 9.1023e-02 1.3895e-04 3.5209e-03 6.3874e-04 3.0212e-03 - 4.0200e-03 -8.2974e+00 1.7405e-01 8.2595e-01 9.0898e-01 9.1023e-02 1.3729e-04 3.5326e-03 6.3874e-04 3.0312e-03 - 4.0300e-03 -8.2974e+00 1.7358e-01 8.2642e-01 9.0898e-01 9.1023e-02 1.3562e-04 3.5443e-03 6.3874e-04 3.0412e-03 - 4.0400e-03 -8.2974e+00 1.7311e-01 8.2689e-01 9.0898e-01 9.1023e-02 1.3396e-04 3.5559e-03 6.3874e-04 3.0512e-03 - 4.0500e-03 -8.2974e+00 1.7264e-01 8.2736e-01 9.0898e-01 9.1023e-02 1.3229e-04 3.5676e-03 6.3874e-04 3.0612e-03 - 4.0600e-03 -8.2974e+00 1.7217e-01 8.2783e-01 9.0898e-01 9.1023e-02 1.3062e-04 3.5793e-03 6.3874e-04 3.0712e-03 - 4.0700e-03 -8.2974e+00 1.7171e-01 8.2829e-01 9.0898e-01 9.1023e-02 1.2896e-04 3.5909e-03 6.3874e-04 3.0812e-03 - 4.0800e-03 -8.2974e+00 1.7125e-01 8.2875e-01 9.0898e-01 9.1023e-02 1.2729e-04 3.6026e-03 6.3874e-04 3.0912e-03 - 4.0900e-03 -8.2974e+00 1.7079e-01 8.2921e-01 9.0898e-01 9.1023e-02 1.2562e-04 3.6143e-03 6.3874e-04 3.1012e-03 - 4.1000e-03 -8.2974e+00 1.7034e-01 8.2966e-01 9.0898e-01 9.1023e-02 1.2396e-04 3.6259e-03 6.3874e-04 3.1112e-03 - 4.1100e-03 -8.2974e+00 1.6988e-01 8.3012e-01 9.0898e-01 9.1023e-02 1.2229e-04 3.6376e-03 6.3874e-04 3.1212e-03 - 4.1200e-03 -8.2974e+00 1.6943e-01 8.3057e-01 9.0898e-01 9.1023e-02 1.2063e-04 3.6493e-03 6.3874e-04 3.1312e-03 - 4.1300e-03 -8.2974e+00 1.6898e-01 8.3102e-01 9.0898e-01 9.1023e-02 1.1896e-04 3.6609e-03 6.3874e-04 3.1412e-03 - 4.1400e-03 -8.2974e+00 1.6854e-01 8.3146e-01 9.0898e-01 9.1023e-02 1.1729e-04 3.6726e-03 6.3874e-04 3.1512e-03 - 4.1500e-03 -8.2974e+00 1.6809e-01 8.3191e-01 9.0898e-01 9.1023e-02 1.1563e-04 3.6843e-03 6.3874e-04 3.1612e-03 - 4.1600e-03 -8.2974e+00 1.6765e-01 8.3235e-01 9.0898e-01 9.1023e-02 1.1396e-04 3.6959e-03 6.3874e-04 3.1712e-03 - 4.1700e-03 -8.2974e+00 1.6721e-01 8.3279e-01 9.0898e-01 9.1023e-02 1.1230e-04 3.7076e-03 6.3874e-04 3.1812e-03 - 4.1800e-03 -8.2974e+00 1.6678e-01 8.3322e-01 9.0898e-01 9.1023e-02 1.1063e-04 3.7193e-03 6.3874e-04 3.1912e-03 - 4.1900e-03 -8.2974e+00 1.6634e-01 8.3366e-01 9.0898e-01 9.1023e-02 1.0896e-04 3.7309e-03 6.3874e-04 3.2012e-03 - 4.2000e-03 -8.2974e+00 1.6591e-01 8.3409e-01 9.0898e-01 9.1023e-02 1.0730e-04 3.7426e-03 6.3874e-04 3.2112e-03 - 4.2100e-03 -8.2974e+00 1.6548e-01 8.3452e-01 9.0898e-01 9.1023e-02 1.0563e-04 3.7543e-03 6.3874e-04 3.2212e-03 - 4.2200e-03 -8.2974e+00 1.6505e-01 8.3495e-01 9.0898e-01 9.1023e-02 1.0396e-04 3.7659e-03 6.3874e-04 3.2312e-03 - 4.2300e-03 -8.2974e+00 1.6463e-01 8.3537e-01 9.0898e-01 9.1023e-02 1.0230e-04 3.7776e-03 6.3874e-04 3.2412e-03 - 4.2400e-03 -8.2974e+00 1.6421e-01 8.3579e-01 9.0898e-01 9.1023e-02 1.0063e-04 3.7893e-03 6.3874e-04 3.2512e-03 - 4.2500e-03 -8.2974e+00 1.6378e-01 8.3622e-01 9.0898e-01 9.1023e-02 9.8965e-05 3.8009e-03 6.3874e-04 3.2612e-03 - 4.2600e-03 -8.2974e+00 1.6337e-01 8.3663e-01 9.0898e-01 9.1023e-02 9.7299e-05 3.8126e-03 6.3874e-04 3.2712e-03 - 4.2700e-03 -8.2974e+00 1.6295e-01 8.3705e-01 9.0898e-01 9.1023e-02 9.5633e-05 3.8243e-03 6.3874e-04 3.2812e-03 - 4.2800e-03 -8.2974e+00 1.6253e-01 8.3747e-01 9.0898e-01 9.1023e-02 9.3967e-05 3.8359e-03 6.3874e-04 3.2912e-03 - 4.2900e-03 -8.2974e+00 1.6212e-01 8.3788e-01 9.0898e-01 9.1023e-02 9.2301e-05 3.8476e-03 6.3874e-04 3.3012e-03 - 4.3000e-03 -8.2974e+00 1.6171e-01 8.3829e-01 9.0898e-01 9.1023e-02 9.0634e-05 3.8593e-03 6.3874e-04 3.3112e-03 - 4.3100e-03 -8.2974e+00 1.6130e-01 8.3870e-01 9.0898e-01 9.1023e-02 8.8968e-05 3.8709e-03 6.3874e-04 3.3212e-03 - 4.3200e-03 -8.2974e+00 1.6090e-01 8.3910e-01 9.0898e-01 9.1023e-02 8.7302e-05 3.8826e-03 6.3874e-04 3.3312e-03 - 4.3300e-03 -8.2974e+00 1.6049e-01 8.3951e-01 9.0898e-01 9.1023e-02 8.5636e-05 3.8943e-03 6.3874e-04 3.3412e-03 - 4.3400e-03 -8.2974e+00 1.6009e-01 8.3991e-01 9.0898e-01 9.1023e-02 8.3970e-05 3.9059e-03 6.3874e-04 3.3512e-03 - 4.3500e-03 -8.2974e+00 1.5969e-01 8.4031e-01 9.0898e-01 9.1023e-02 8.2303e-05 3.9176e-03 6.3874e-04 3.3612e-03 - 4.3600e-03 -8.2974e+00 1.5929e-01 8.4071e-01 9.0898e-01 9.1023e-02 8.0637e-05 3.9293e-03 6.3874e-04 3.3712e-03 - 4.3700e-03 -8.2974e+00 1.5890e-01 8.4110e-01 9.0898e-01 9.1023e-02 7.8971e-05 3.9409e-03 6.3874e-04 3.3812e-03 - 4.3800e-03 -8.2974e+00 1.5850e-01 8.4150e-01 9.0898e-01 9.1023e-02 7.7305e-05 3.9526e-03 6.3874e-04 3.3912e-03 - 4.3900e-03 -8.2974e+00 1.5811e-01 8.4189e-01 9.0898e-01 9.1023e-02 7.5639e-05 3.9643e-03 6.3874e-04 3.4012e-03 - 4.4000e-03 -8.2974e+00 1.5772e-01 8.4228e-01 9.0898e-01 9.1023e-02 7.3972e-05 3.9759e-03 6.3874e-04 3.4112e-03 - 4.4100e-03 -8.2974e+00 1.5733e-01 8.4267e-01 9.0898e-01 9.1023e-02 7.2306e-05 3.9876e-03 6.3874e-04 3.4212e-03 - 4.4200e-03 -8.2974e+00 1.5694e-01 8.4306e-01 9.0898e-01 9.1023e-02 7.0640e-05 3.9993e-03 6.3874e-04 3.4312e-03 - 4.4300e-03 -8.2974e+00 1.5656e-01 8.4344e-01 9.0898e-01 9.1023e-02 6.8974e-05 4.0109e-03 6.3874e-04 3.4412e-03 - 4.4400e-03 -8.2974e+00 1.5618e-01 8.4382e-01 9.0898e-01 9.1023e-02 6.7308e-05 4.0226e-03 6.3874e-04 3.4512e-03 - 4.4500e-03 -8.2974e+00 1.5579e-01 8.4421e-01 9.0898e-01 9.1023e-02 6.5641e-05 4.0343e-03 6.3874e-04 3.4612e-03 - 4.4600e-03 -8.2974e+00 1.5542e-01 8.4458e-01 9.0898e-01 9.1023e-02 6.3975e-05 4.0459e-03 6.3874e-04 3.4712e-03 - 4.4700e-03 -8.2974e+00 1.5504e-01 8.4496e-01 9.0898e-01 9.1023e-02 6.2309e-05 4.0576e-03 6.3874e-04 3.4812e-03 - 4.4800e-03 -8.2974e+00 1.5466e-01 8.4534e-01 9.0898e-01 9.1023e-02 6.0643e-05 4.0693e-03 6.3874e-04 3.4912e-03 - 4.4900e-03 -8.2974e+00 1.5429e-01 8.4571e-01 9.0898e-01 9.1023e-02 5.8977e-05 4.0809e-03 6.3874e-04 3.5012e-03 - 4.5000e-03 -8.2974e+00 1.5392e-01 8.4608e-01 9.0898e-01 9.1023e-02 5.7310e-05 4.0926e-03 6.3874e-04 3.5112e-03 - 4.5100e-03 -8.2974e+00 1.5355e-01 8.4645e-01 9.0898e-01 9.1023e-02 5.5644e-05 4.1043e-03 6.3874e-04 3.5212e-03 - 4.5200e-03 -8.2974e+00 1.5318e-01 8.4682e-01 9.0898e-01 9.1023e-02 5.3978e-05 4.1159e-03 6.3874e-04 3.5312e-03 - 4.5300e-03 -8.2974e+00 1.5281e-01 8.4719e-01 9.0898e-01 9.1023e-02 5.2312e-05 4.1276e-03 6.3874e-04 3.5412e-03 - 4.5400e-03 -8.2974e+00 1.5245e-01 8.4755e-01 9.0898e-01 9.1023e-02 5.0646e-05 4.1392e-03 6.3874e-04 3.5512e-03 - 4.5500e-03 -8.2974e+00 1.5209e-01 8.4791e-01 9.0898e-01 9.1023e-02 4.8979e-05 4.1509e-03 6.3874e-04 3.5612e-03 - 4.5600e-03 -8.2974e+00 1.5172e-01 8.4828e-01 9.0898e-01 9.1023e-02 4.7313e-05 4.1626e-03 6.3874e-04 3.5712e-03 - 4.5700e-03 -8.2974e+00 1.5136e-01 8.4864e-01 9.0898e-01 9.1023e-02 4.5647e-05 4.1742e-03 6.3874e-04 3.5812e-03 - 4.5800e-03 -8.2974e+00 1.5101e-01 8.4899e-01 9.0898e-01 9.1023e-02 4.3981e-05 4.1859e-03 6.3874e-04 3.5912e-03 - 4.5900e-03 -8.2974e+00 1.5065e-01 8.4935e-01 9.0898e-01 9.1023e-02 4.2315e-05 4.1976e-03 6.3874e-04 3.6012e-03 - 4.6000e-03 -8.2974e+00 1.5030e-01 8.4970e-01 9.0898e-01 9.1023e-02 4.0648e-05 4.2092e-03 6.3874e-04 3.6112e-03 - 4.6100e-03 -8.2974e+00 1.4994e-01 8.5006e-01 9.0898e-01 9.1023e-02 3.8982e-05 4.2209e-03 6.3874e-04 3.6212e-03 - 4.6200e-03 -8.2974e+00 1.4959e-01 8.5041e-01 9.0898e-01 9.1023e-02 3.7316e-05 4.2326e-03 6.3874e-04 3.6312e-03 - 4.6300e-03 -8.2974e+00 1.4924e-01 8.5076e-01 9.0898e-01 9.1023e-02 3.5650e-05 4.2442e-03 6.3874e-04 3.6412e-03 - 4.6400e-03 -8.2974e+00 1.4889e-01 8.5111e-01 9.0898e-01 9.1023e-02 3.3984e-05 4.2559e-03 6.3874e-04 3.6512e-03 - 4.6500e-03 -8.2974e+00 1.4855e-01 8.5145e-01 9.0898e-01 9.1023e-02 3.2317e-05 4.2676e-03 6.3874e-04 3.6612e-03 - 4.6600e-03 -8.2974e+00 1.4820e-01 8.5180e-01 9.0898e-01 9.1023e-02 3.0651e-05 4.2792e-03 6.3874e-04 3.6712e-03 - 4.6700e-03 -8.2974e+00 1.4786e-01 8.5214e-01 9.0898e-01 9.1023e-02 2.8985e-05 4.2909e-03 6.3874e-04 3.6812e-03 - 4.6800e-03 -8.2974e+00 1.4752e-01 8.5248e-01 9.0898e-01 9.1023e-02 2.7319e-05 4.3026e-03 6.3874e-04 3.6912e-03 - 4.6900e-03 -8.2974e+00 1.4718e-01 8.5282e-01 9.0898e-01 9.1023e-02 2.5653e-05 4.3142e-03 6.3874e-04 3.7012e-03 - 4.7000e-03 -8.2974e+00 1.4684e-01 8.5316e-01 9.0898e-01 9.1023e-02 2.3986e-05 4.3259e-03 6.3874e-04 3.7112e-03 - 4.7100e-03 -8.2974e+00 1.4650e-01 8.5350e-01 9.0898e-01 9.1023e-02 2.2320e-05 4.3376e-03 6.3874e-04 3.7212e-03 - 4.7200e-03 -8.2974e+00 1.4617e-01 8.5383e-01 9.0898e-01 9.1023e-02 2.0654e-05 4.3492e-03 6.3874e-04 3.7312e-03 - 4.7300e-03 -8.2974e+00 1.4584e-01 8.5416e-01 9.0898e-01 9.1023e-02 1.8988e-05 4.3609e-03 6.3874e-04 3.7412e-03 - 4.7400e-03 -8.2974e+00 1.4550e-01 8.5450e-01 9.0898e-01 9.1023e-02 1.7321e-05 4.3726e-03 6.3874e-04 3.7512e-03 - 4.7500e-03 -8.2974e+00 1.4517e-01 8.5483e-01 9.0898e-01 9.1023e-02 1.5655e-05 4.3842e-03 6.3874e-04 3.7612e-03 - 4.7600e-03 -8.2974e+00 1.4484e-01 8.5516e-01 9.0898e-01 9.1023e-02 1.3989e-05 4.3959e-03 6.3874e-04 3.7712e-03 - 4.7700e-03 -8.2974e+00 1.4452e-01 8.5548e-01 9.0898e-01 9.1023e-02 1.2323e-05 4.4076e-03 6.3874e-04 3.7812e-03 - 4.7800e-03 -8.2974e+00 1.4419e-01 8.5581e-01 9.0898e-01 9.1023e-02 1.0657e-05 4.4192e-03 6.3874e-04 3.7912e-03 - 4.7900e-03 -8.2974e+00 1.4386e-01 8.5614e-01 9.0898e-01 9.1023e-02 8.9905e-06 4.4309e-03 6.3874e-04 3.8012e-03 - 4.8000e-03 -8.2974e+00 1.4354e-01 8.5646e-01 9.0898e-01 9.1023e-02 7.3243e-06 4.4426e-03 6.3874e-04 3.8112e-03 - 4.8100e-03 -8.2974e+00 1.4322e-01 8.5678e-01 9.0898e-01 9.1023e-02 5.6581e-06 4.4542e-03 6.3874e-04 3.8212e-03 - 4.8200e-03 -8.2974e+00 1.4290e-01 8.5710e-01 9.0898e-01 9.1023e-02 3.9919e-06 4.4659e-03 6.3874e-04 3.8312e-03 - 4.8300e-03 -8.2974e+00 1.4258e-01 8.5742e-01 9.0898e-01 9.1023e-02 2.3257e-06 4.4776e-03 6.3874e-04 3.8412e-03 - 4.8400e-03 -8.2974e+00 1.4226e-01 8.5774e-01 9.0898e-01 9.1023e-02 6.5947e-07 4.4892e-03 6.3874e-04 3.8512e-03 - 4.8500e-03 -8.2974e+00 1.4211e-01 8.5789e-01 9.0896e-01 9.1042e-02 1.0000e-10 1.0000e-10 6.3958e-04 3.8610e-03 - 4.8600e-03 -8.2976e+00 1.4207e-01 8.5793e-01 9.0893e-01 9.1074e-02 1.0000e-10 1.0000e-10 6.4098e-04 3.8708e-03 - 4.8700e-03 -8.2977e+00 1.4203e-01 8.5797e-01 9.0889e-01 9.1106e-02 1.0000e-10 1.0000e-10 6.4237e-04 3.8805e-03 - 4.8800e-03 -8.2978e+00 1.4198e-01 8.5802e-01 9.0886e-01 9.1138e-02 1.0000e-10 1.0000e-10 6.4376e-04 3.8903e-03 - 4.8900e-03 -8.2980e+00 1.4194e-01 8.5806e-01 9.0883e-01 9.1170e-02 1.0000e-10 1.0000e-10 6.4515e-04 3.9000e-03 - 4.9000e-03 -8.2981e+00 1.4190e-01 8.5810e-01 9.0880e-01 9.1202e-02 1.0000e-10 1.0000e-10 6.4654e-04 3.9098e-03 - 4.9100e-03 -8.2982e+00 1.4186e-01 8.5814e-01 9.0877e-01 9.1234e-02 1.0000e-10 1.0000e-10 6.4793e-04 3.9195e-03 - 4.9200e-03 -8.2983e+00 1.4181e-01 8.5819e-01 9.0873e-01 9.1266e-02 1.0000e-10 1.0000e-10 6.4932e-04 3.9293e-03 - 4.9300e-03 -8.2985e+00 1.4177e-01 8.5823e-01 9.0870e-01 9.1298e-02 1.0000e-10 1.0000e-10 6.5070e-04 3.9391e-03 - 4.9400e-03 -8.2986e+00 1.4173e-01 8.5827e-01 9.0867e-01 9.1330e-02 1.0000e-10 1.0000e-10 6.5209e-04 3.9488e-03 - 4.9500e-03 -8.2987e+00 1.4169e-01 8.5831e-01 9.0864e-01 9.1362e-02 1.0000e-10 1.0000e-10 6.5347e-04 3.9586e-03 - 4.9600e-03 -8.2989e+00 1.4165e-01 8.5835e-01 9.0861e-01 9.1394e-02 1.0000e-10 1.0000e-10 6.5486e-04 3.9683e-03 - 4.9700e-03 -8.2990e+00 1.4160e-01 8.5840e-01 9.0857e-01 9.1426e-02 1.0000e-10 1.0000e-10 6.5624e-04 3.9781e-03 - 4.9800e-03 -8.2991e+00 1.4156e-01 8.5844e-01 9.0854e-01 9.1458e-02 1.0000e-10 1.0000e-10 6.5762e-04 3.9878e-03 - 4.9900e-03 -8.2992e+00 1.4152e-01 8.5848e-01 9.0851e-01 9.1490e-02 1.0000e-10 1.0000e-10 6.5900e-04 3.9976e-03 - 5.0000e-03 -8.2994e+00 1.4148e-01 8.5852e-01 9.0848e-01 9.1522e-02 1.0000e-10 1.0000e-10 6.6038e-04 4.0074e-03 - 5.0000e-03 -8.2994e+00 1.4148e-01 8.5852e-01 9.0848e-01 9.1522e-02 1.0000e-10 1.0000e-10 6.6038e-04 4.0074e-03 - 1.0000e-02 -8.3561e+00 1.2425e-01 8.7575e-01 8.9342e-01 1.0658e-01 1.0000e-10 1.0000e-10 1.2622e-03 8.8963e-03 - 1.5000e-02 -8.4019e+00 1.1192e-01 8.8808e-01 8.7973e-01 1.2027e-01 1.0000e-10 1.0000e-10 1.7391e-03 1.3800e-02 - 2.0000e-02 -8.4405e+00 1.0242e-01 8.9758e-01 8.6700e-01 1.3300e-01 1.0000e-10 1.0000e-10 2.1356e-03 1.8715e-02 - 2.5000e-02 -8.4739e+00 9.4788e-02 9.0521e-01 8.5501e-01 1.4499e-01 1.0000e-10 1.0000e-10 2.4751e-03 2.3637e-02 - 3.0000e-02 -8.5033e+00 8.8454e-02 9.1155e-01 8.4365e-01 1.5635e-01 1.0000e-10 1.0000e-10 2.7719e-03 2.8565e-02 - 3.5000e-02 -8.5296e+00 8.3084e-02 9.1692e-01 8.3281e-01 1.6719e-01 1.0000e-10 1.0000e-10 3.0354e-03 3.3499e-02 - 4.0000e-02 -8.5534e+00 7.8452e-02 9.2155e-01 8.2242e-01 1.7758e-01 1.0000e-10 1.0000e-10 3.2721e-03 3.8436e-02 - 4.5000e-02 -8.5751e+00 7.4402e-02 9.2560e-01 8.1245e-01 1.8755e-01 1.0000e-10 1.0000e-10 3.4868e-03 4.3378e-02 - 5.0000e-02 -8.5949e+00 7.0821e-02 9.2918e-01 8.0284e-01 1.9716e-01 1.0000e-10 1.0000e-10 3.6831e-03 4.8323e-02 - 5.5000e-02 -8.6133e+00 6.7625e-02 9.3237e-01 7.9357e-01 2.0643e-01 1.0000e-10 1.0000e-10 3.8637e-03 5.3270e-02 - 6.0000e-02 -8.6303e+00 6.4751e-02 9.3525e-01 7.8460e-01 2.1540e-01 1.0000e-10 1.0000e-10 4.0308e-03 5.8220e-02 - 6.5000e-02 -8.6462e+00 6.2147e-02 9.3785e-01 7.7593e-01 2.2407e-01 1.0000e-10 1.0000e-10 4.1862e-03 6.3173e-02 - 7.0000e-02 -8.6610e+00 5.9776e-02 9.4022e-01 7.6751e-01 2.3249e-01 1.0000e-10 1.0000e-10 4.3313e-03 6.8127e-02 - 7.5000e-02 -8.6750e+00 5.7604e-02 9.4240e-01 7.5935e-01 2.4065e-01 1.0000e-10 1.0000e-10 4.4673e-03 7.3084e-02 - 8.0000e-02 -8.6881e+00 5.5606e-02 9.4439e-01 7.5142e-01 2.4858e-01 1.0000e-10 1.0000e-10 4.5952e-03 7.8042e-02 - 8.5000e-02 -8.7005e+00 5.3761e-02 9.4624e-01 7.4370e-01 2.5630e-01 1.0000e-10 1.0000e-10 4.7158e-03 8.3002e-02 - 9.0000e-02 -8.7122e+00 5.2050e-02 9.4795e-01 7.3619e-01 2.6381e-01 1.0000e-10 1.0000e-10 4.8298e-03 8.7963e-02 - 9.5000e-02 -8.7234e+00 5.0457e-02 9.4954e-01 7.2888e-01 2.7112e-01 1.0000e-10 1.0000e-10 4.9380e-03 9.2926e-02 - 1.0000e-01 -8.7339e+00 4.8972e-02 9.5103e-01 7.2176e-01 2.7824e-01 1.0000e-10 1.0000e-10 5.0407e-03 9.7890e-02 - 1.0000e-01 -8.7339e+00 4.8972e-02 9.5103e-01 7.2176e-01 2.7824e-01 1.0000e-10 1.0000e-10 5.0407e-03 9.7890e-02 - 2.0000e-01 -8.8751e+00 3.1476e-02 9.6852e-01 6.0792e-01 3.9208e-01 1.0000e-10 1.0000e-10 6.4139e-03 1.9736e-01 - 3.0000e-01 -8.9520e+00 2.3569e-02 9.7643e-01 5.2858e-01 4.7142e-01 1.0000e-10 1.0000e-10 7.1693e-03 2.9702e-01 - 4.0000e-01 -9.0019e+00 1.8957e-02 9.8104e-01 4.6899e-01 5.3101e-01 1.0000e-10 1.0000e-10 7.6669e-03 3.9678e-01 - 5.0000e-01 -9.0375e+00 1.5904e-02 9.8410e-01 4.2219e-01 5.7781e-01 1.0000e-10 1.0000e-10 8.0256e-03 4.9659e-01 - 6.0000e-01 -9.0643e+00 1.3723e-02 9.8628e-01 3.8427e-01 6.1573e-01 1.0000e-10 1.0000e-10 8.2990e-03 5.9645e-01 - 7.0000e-01 -9.0854e+00 1.2081e-02 9.8792e-01 3.5284e-01 6.4716e-01 1.0000e-10 1.0000e-10 8.5154e-03 6.9633e-01 - 8.0000e-01 -9.1024e+00 1.0798e-02 9.8920e-01 3.2631e-01 6.7369e-01 1.0000e-10 1.0000e-10 8.6916e-03 7.9624e-01 - 9.0000e-01 -9.1165e+00 9.7659e-03 9.9023e-01 3.0358e-01 6.9642e-01 1.0000e-10 1.0000e-10 8.8381e-03 8.9616e-01 - 1.0000e+00 -9.1284e+00 8.9171e-03 9.9108e-01 2.8389e-01 7.1611e-01 1.0000e-10 1.0000e-10 8.9621e-03 9.9609e-01 - 1.1000e+00 -9.1385e+00 8.2062e-03 9.9179e-01 2.6664e-01 7.3336e-01 1.0000e-10 1.0000e-10 9.0686e-03 1.0960e+00 - 1.2000e+00 -9.1472e+00 7.6017e-03 9.9240e-01 2.5140e-01 7.4860e-01 1.0000e-10 1.0000e-10 9.1610e-03 1.1960e+00 - 1.3000e+00 -9.1549e+00 7.0811e-03 9.9292e-01 2.3784e-01 7.6216e-01 1.0000e-10 1.0000e-10 9.2421e-03 1.2959e+00 - 1.4000e+00 -9.1616e+00 6.6281e-03 9.9337e-01 2.2568e-01 7.7432e-01 1.0000e-10 1.0000e-10 9.3138e-03 1.3959e+00 - 1.5000e+00 -9.1676e+00 6.2301e-03 9.9377e-01 2.1472e-01 7.8528e-01 1.0000e-10 1.0000e-10 9.3777e-03 1.4958e+00 - 1.6000e+00 -9.1730e+00 5.8776e-03 9.9412e-01 2.0479e-01 7.9521e-01 1.0000e-10 1.0000e-10 9.4351e-03 1.5958e+00 - 1.7000e+00 -9.1778e+00 5.5632e-03 9.9444e-01 1.9574e-01 8.0426e-01 1.0000e-10 1.0000e-10 9.4868e-03 1.6958e+00 - 1.8000e+00 -9.1822e+00 5.2810e-03 9.9472e-01 1.8747e-01 8.1253e-01 1.0000e-10 1.0000e-10 9.5338e-03 1.7958e+00 - 1.9000e+00 -9.1861e+00 5.0263e-03 9.9497e-01 1.7987e-01 8.2013e-01 1.0000e-10 1.0000e-10 9.5766e-03 1.8957e+00 - 2.0000e+00 -9.1898e+00 4.7951e-03 9.9520e-01 1.7287e-01 8.2713e-01 1.0000e-10 1.0000e-10 9.6157e-03 1.9957e+00 - 2.1000e+00 -9.1931e+00 4.5844e-03 9.9542e-01 1.6640e-01 8.3360e-01 1.0000e-10 1.0000e-10 9.6517e-03 2.0957e+00 - 2.2000e+00 -9.1962e+00 4.3916e-03 9.9561e-01 1.6040e-01 8.3960e-01 1.0000e-10 1.0000e-10 9.6849e-03 2.1957e+00 - 2.3000e+00 -9.1990e+00 4.2144e-03 9.9579e-01 1.5481e-01 8.4519e-01 1.0000e-10 1.0000e-10 9.7156e-03 2.2956e+00 - 2.4000e+00 -9.2016e+00 4.0510e-03 9.9595e-01 1.4961e-01 8.5039e-01 1.0000e-10 1.0000e-10 9.7441e-03 2.3956e+00 - 2.5000e+00 -9.2040e+00 3.8999e-03 9.9610e-01 1.4475e-01 8.5525e-01 1.0000e-10 1.0000e-10 9.7707e-03 2.4956e+00 - 2.6000e+00 -9.2063e+00 3.7597e-03 9.9624e-01 1.4019e-01 8.5981e-01 1.0000e-10 1.0000e-10 9.7954e-03 2.5956e+00 - 2.7000e+00 -9.2084e+00 3.6292e-03 9.9637e-01 1.3591e-01 8.6409e-01 1.0000e-10 1.0000e-10 9.8185e-03 2.6956e+00 - 2.8000e+00 -9.2104e+00 3.5076e-03 9.9649e-01 1.3189e-01 8.6811e-01 1.0000e-10 1.0000e-10 9.8402e-03 2.7956e+00 - 2.9000e+00 -9.2123e+00 3.3939e-03 9.9661e-01 1.2810e-01 8.7190e-01 1.0000e-10 1.0000e-10 9.8606e-03 2.8956e+00 - 3.0000e+00 -9.2140e+00 3.2873e-03 9.9671e-01 1.2452e-01 8.7548e-01 1.0000e-10 1.0000e-10 9.8797e-03 2.9955e+00 - 3.1000e+00 -9.2157e+00 3.1873e-03 9.9681e-01 1.2114e-01 8.7886e-01 1.0000e-10 1.0000e-10 9.8978e-03 3.0955e+00 - 3.2000e+00 -9.2172e+00 3.0931e-03 9.9691e-01 1.1794e-01 8.8206e-01 1.0000e-10 1.0000e-10 9.9148e-03 3.1955e+00 - 3.3000e+00 -9.2187e+00 3.0044e-03 9.9700e-01 1.1490e-01 8.8510e-01 1.0000e-10 1.0000e-10 9.9310e-03 3.2955e+00 - 3.4000e+00 -9.2201e+00 2.9207e-03 9.9708e-01 1.1202e-01 8.8798e-01 1.0000e-10 1.0000e-10 9.9462e-03 3.3955e+00 - 3.5000e+00 -9.2214e+00 2.8415e-03 9.9716e-01 1.0927e-01 8.9073e-01 1.0000e-10 1.0000e-10 9.9607e-03 3.4955e+00 - 3.6000e+00 -9.2227e+00 2.7665e-03 9.9723e-01 1.0666e-01 8.9334e-01 1.0000e-10 1.0000e-10 9.9745e-03 3.5955e+00 - 3.7000e+00 -9.2239e+00 2.6954e-03 9.9730e-01 1.0417e-01 8.9583e-01 1.0000e-10 1.0000e-10 9.9876e-03 3.6955e+00 - 3.8000e+00 -9.2250e+00 2.6278e-03 9.9737e-01 1.0180e-01 8.9820e-01 1.0000e-10 1.0000e-10 1.0000e-02 3.7955e+00 - 3.9000e+00 -9.2261e+00 2.5636e-03 9.9744e-01 9.9529e-02 9.0047e-01 1.0000e-10 1.0000e-10 1.0012e-02 3.8955e+00 - 4.0000e+00 -9.2271e+00 2.5024e-03 9.9750e-01 9.7359e-02 9.0264e-01 1.0000e-10 1.0000e-10 1.0023e-02 3.9955e+00 - 4.1000e+00 -9.2281e+00 2.4441e-03 9.9756e-01 9.5282e-02 9.0472e-01 1.0000e-10 1.0000e-10 1.0034e-02 4.0954e+00 - 4.2000e+00 -9.2290e+00 2.3884e-03 9.9761e-01 9.3292e-02 9.0671e-01 1.0000e-10 1.0000e-10 1.0045e-02 4.1954e+00 - 4.3000e+00 -9.2299e+00 2.3353e-03 9.9766e-01 9.1384e-02 9.0862e-01 1.0000e-10 1.0000e-10 1.0055e-02 4.2954e+00 - 4.4000e+00 -9.2308e+00 2.2844e-03 9.9772e-01 8.9552e-02 9.1045e-01 1.0000e-10 1.0000e-10 1.0064e-02 4.3954e+00 - 4.5000e+00 -9.2316e+00 2.2358e-03 9.9776e-01 8.7792e-02 9.1221e-01 1.0000e-10 1.0000e-10 1.0073e-02 4.4954e+00 - 4.6000e+00 -9.2324e+00 2.1891e-03 9.9781e-01 8.6101e-02 9.1390e-01 1.0000e-10 1.0000e-10 1.0082e-02 4.5954e+00 - 4.7000e+00 -9.2332e+00 2.1444e-03 9.9786e-01 8.4473e-02 9.1553e-01 1.0000e-10 1.0000e-10 1.0090e-02 4.6954e+00 - 4.8000e+00 -9.2339e+00 2.1014e-03 9.9790e-01 8.2906e-02 9.1709e-01 1.0000e-10 1.0000e-10 1.0098e-02 4.7954e+00 - 4.9000e+00 -9.2346e+00 2.0602e-03 9.9794e-01 8.1396e-02 9.1860e-01 1.0000e-10 1.0000e-10 1.0106e-02 4.8954e+00 - 5.0000e+00 -9.2353e+00 2.0205e-03 9.9798e-01 7.9940e-02 9.2006e-01 1.0000e-10 1.0000e-10 1.0114e-02 4.9954e+00 - 5.1000e+00 -9.2359e+00 1.9824e-03 9.9802e-01 7.8535e-02 9.2146e-01 1.0000e-10 1.0000e-10 1.0121e-02 5.0954e+00 - 5.2000e+00 -9.2366e+00 1.9456e-03 9.9805e-01 7.7179e-02 9.2282e-01 1.0000e-10 1.0000e-10 1.0128e-02 5.1954e+00 - 5.3000e+00 -9.2372e+00 1.9102e-03 9.9809e-01 7.5869e-02 9.2413e-01 1.0000e-10 1.0000e-10 1.0135e-02 5.2954e+00 - 5.4000e+00 -9.2378e+00 1.8761e-03 9.9812e-01 7.4603e-02 9.2540e-01 1.0000e-10 1.0000e-10 1.0141e-02 5.3954e+00 - 5.5000e+00 -9.2383e+00 1.8432e-03 9.9816e-01 7.3379e-02 9.2662e-01 1.0000e-10 1.0000e-10 1.0148e-02 5.4954e+00 - 5.6000e+00 -9.2389e+00 1.8114e-03 9.9819e-01 7.2194e-02 9.2781e-01 1.0000e-10 1.0000e-10 1.0154e-02 5.5954e+00 - 5.7000e+00 -9.2394e+00 1.7806e-03 9.9822e-01 7.1046e-02 9.2895e-01 1.0000e-10 1.0000e-10 1.0159e-02 5.6954e+00 - 5.8000e+00 -9.2399e+00 1.7509e-03 9.9825e-01 6.9935e-02 9.3006e-01 1.0000e-10 1.0000e-10 1.0165e-02 5.7954e+00 - 5.9000e+00 -9.2404e+00 1.7222e-03 9.9828e-01 6.8858e-02 9.3114e-01 1.0000e-10 1.0000e-10 1.0171e-02 5.8954e+00 - 6.0000e+00 -9.2409e+00 1.6944e-03 9.9831e-01 6.7814e-02 9.3219e-01 1.0000e-10 1.0000e-10 1.0176e-02 5.9954e+00 - 6.1000e+00 -9.2414e+00 1.6675e-03 9.9833e-01 6.6801e-02 9.3320e-01 1.0000e-10 1.0000e-10 1.0181e-02 6.0954e+00 - 6.2000e+00 -9.2418e+00 1.6415e-03 9.9836e-01 6.5817e-02 9.3418e-01 1.0000e-10 1.0000e-10 1.0186e-02 6.1954e+00 - 6.3000e+00 -9.2422e+00 1.6162e-03 9.9838e-01 6.4863e-02 9.3514e-01 1.0000e-10 1.0000e-10 1.0191e-02 6.2953e+00 - 6.4000e+00 -9.2427e+00 1.5917e-03 9.9841e-01 6.3935e-02 9.3606e-01 1.0000e-10 1.0000e-10 1.0196e-02 6.3953e+00 - 6.5000e+00 -9.2431e+00 1.5680e-03 9.9843e-01 6.3034e-02 9.3697e-01 1.0000e-10 1.0000e-10 1.0200e-02 6.4953e+00 - 6.6000e+00 -9.2435e+00 1.5449e-03 9.9846e-01 6.2158e-02 9.3784e-01 1.0000e-10 1.0000e-10 1.0205e-02 6.5953e+00 - 6.7000e+00 -9.2439e+00 1.5225e-03 9.9848e-01 6.1306e-02 9.3869e-01 1.0000e-10 1.0000e-10 1.0209e-02 6.6953e+00 - 6.8000e+00 -9.2442e+00 1.5007e-03 9.9850e-01 6.0477e-02 9.3952e-01 1.0000e-10 1.0000e-10 1.0213e-02 6.7953e+00 - 6.9000e+00 -9.2446e+00 1.4796e-03 9.9852e-01 5.9670e-02 9.4033e-01 1.0000e-10 1.0000e-10 1.0217e-02 6.8953e+00 - 7.0000e+00 -9.2450e+00 1.4591e-03 9.9854e-01 5.8885e-02 9.4112e-01 1.0000e-10 1.0000e-10 1.0221e-02 6.9953e+00 - 7.1000e+00 -9.2453e+00 1.4391e-03 9.9856e-01 5.8119e-02 9.4188e-01 1.0000e-10 1.0000e-10 1.0225e-02 7.0953e+00 - 7.2000e+00 -9.2457e+00 1.4196e-03 9.9858e-01 5.7374e-02 9.4263e-01 1.0000e-10 1.0000e-10 1.0229e-02 7.1953e+00 - 7.3000e+00 -9.2460e+00 1.4007e-03 9.9860e-01 5.6647e-02 9.4335e-01 1.0000e-10 1.0000e-10 1.0233e-02 7.2953e+00 - 7.4000e+00 -9.2463e+00 1.3823e-03 9.9862e-01 5.5939e-02 9.4406e-01 1.0000e-10 1.0000e-10 1.0236e-02 7.3953e+00 - 7.5000e+00 -9.2466e+00 1.3643e-03 9.9864e-01 5.5248e-02 9.4475e-01 1.0000e-10 1.0000e-10 1.0240e-02 7.4953e+00 - 7.6000e+00 -9.2469e+00 1.3468e-03 9.9865e-01 5.4574e-02 9.4543e-01 1.0000e-10 1.0000e-10 1.0243e-02 7.5953e+00 - 7.7000e+00 -9.2472e+00 1.3298e-03 9.9867e-01 5.3916e-02 9.4608e-01 1.0000e-10 1.0000e-10 1.0247e-02 7.6953e+00 - 7.8000e+00 -9.2475e+00 1.3131e-03 9.9869e-01 5.3274e-02 9.4673e-01 1.0000e-10 1.0000e-10 1.0250e-02 7.7953e+00 - 7.9000e+00 -9.2478e+00 1.2969e-03 9.9870e-01 5.2647e-02 9.4735e-01 1.0000e-10 1.0000e-10 1.0253e-02 7.8953e+00 - 8.0000e+00 -9.2481e+00 1.2811e-03 9.9872e-01 5.2035e-02 9.4797e-01 1.0000e-10 1.0000e-10 1.0256e-02 7.9953e+00 - 8.1000e+00 -9.2484e+00 1.2657e-03 9.9873e-01 5.1436e-02 9.4856e-01 1.0000e-10 1.0000e-10 1.0259e-02 8.0953e+00 - 8.2000e+00 -9.2486e+00 1.2506e-03 9.9875e-01 5.0852e-02 9.4915e-01 1.0000e-10 1.0000e-10 1.0262e-02 8.1953e+00 - 8.3000e+00 -9.2489e+00 1.2359e-03 9.9876e-01 5.0280e-02 9.4972e-01 1.0000e-10 1.0000e-10 1.0265e-02 8.2953e+00 - 8.4000e+00 -9.2491e+00 1.2215e-03 9.9878e-01 4.9721e-02 9.5028e-01 1.0000e-10 1.0000e-10 1.0268e-02 8.3953e+00 - 8.5000e+00 -9.2494e+00 1.2075e-03 9.9879e-01 4.9175e-02 9.5083e-01 1.0000e-10 1.0000e-10 1.0271e-02 8.4953e+00 - 8.6000e+00 -9.2496e+00 1.1938e-03 9.9881e-01 4.8640e-02 9.5136e-01 1.0000e-10 1.0000e-10 1.0273e-02 8.5953e+00 - 8.7000e+00 -9.2499e+00 1.1804e-03 9.9882e-01 4.8117e-02 9.5188e-01 1.0000e-10 1.0000e-10 1.0276e-02 8.6953e+00 - 8.8000e+00 -9.2501e+00 1.1673e-03 9.9883e-01 4.7605e-02 9.5239e-01 1.0000e-10 1.0000e-10 1.0278e-02 8.7953e+00 - 8.9000e+00 -9.2503e+00 1.1544e-03 9.9885e-01 4.7104e-02 9.5290e-01 1.0000e-10 1.0000e-10 1.0281e-02 8.8953e+00 - 9.0000e+00 -9.2505e+00 1.1419e-03 9.9886e-01 4.6613e-02 9.5339e-01 1.0000e-10 1.0000e-10 1.0283e-02 8.9953e+00 - 9.1000e+00 -9.2507e+00 1.1296e-03 9.9887e-01 4.6132e-02 9.5387e-01 1.0000e-10 1.0000e-10 1.0286e-02 9.0953e+00 - 9.2000e+00 -9.2510e+00 1.1176e-03 9.9888e-01 4.5662e-02 9.5434e-01 1.0000e-10 1.0000e-10 1.0288e-02 9.1953e+00 - 9.3000e+00 -9.2512e+00 1.1058e-03 9.9889e-01 4.5200e-02 9.5480e-01 1.0000e-10 1.0000e-10 1.0291e-02 9.2953e+00 - 9.4000e+00 -9.2514e+00 1.0943e-03 9.9891e-01 4.4748e-02 9.5525e-01 1.0000e-10 1.0000e-10 1.0293e-02 9.3953e+00 - 9.5000e+00 -9.2516e+00 1.0830e-03 9.9892e-01 4.4305e-02 9.5569e-01 1.0000e-10 1.0000e-10 1.0295e-02 9.4953e+00 - 9.6000e+00 -9.2518e+00 1.0720e-03 9.9893e-01 4.3871e-02 9.5613e-01 1.0000e-10 1.0000e-10 1.0297e-02 9.5953e+00 - 9.7000e+00 -9.2519e+00 1.0612e-03 9.9894e-01 4.3445e-02 9.5656e-01 1.0000e-10 1.0000e-10 1.0299e-02 9.6953e+00 - 9.8000e+00 -9.2521e+00 1.0506e-03 9.9895e-01 4.3027e-02 9.5697e-01 1.0000e-10 1.0000e-10 1.0301e-02 9.7953e+00 - 9.9000e+00 -9.2523e+00 1.0402e-03 9.9896e-01 4.2617e-02 9.5738e-01 1.0000e-10 1.0000e-10 1.0303e-02 9.8953e+00 - 1.0000e+01 -9.2525e+00 1.0300e-03 9.9897e-01 4.2215e-02 9.5778e-01 1.0000e-10 1.0000e-10 1.0305e-02 9.9953e+00 + 1.0000e-05 -8.3356e+00 9.9996e-01 4.0997e-05 9.9899e-01 1.0068e-03 1.0000e-10 1.0000e-10 6.4233e-06 2.6335e-10 + 2.0000e-05 -8.3352e+00 9.9992e-01 8.2099e-05 9.9799e-01 2.0128e-03 1.0000e-10 1.0000e-10 1.2844e-05 1.0546e-09 + 3.0000e-05 -8.3349e+00 9.9988e-01 1.2331e-04 9.9698e-01 3.0181e-03 1.0000e-10 1.0000e-10 1.9263e-05 2.3756e-09 + 4.0000e-05 -8.3345e+00 9.9984e-01 1.6462e-04 9.9598e-01 4.0226e-03 1.0000e-10 1.0000e-10 2.5680e-05 4.2283e-09 + 5.0000e-05 -8.3341e+00 9.9979e-01 2.0605e-04 9.9497e-01 5.0263e-03 1.0000e-10 1.0000e-10 3.2095e-05 6.6144e-09 + 6.0000e-05 -8.3337e+00 9.9975e-01 2.4757e-04 9.9397e-01 6.0292e-03 1.0000e-10 1.0000e-10 3.8508e-05 9.5359e-09 + 7.0000e-05 -8.3334e+00 9.9971e-01 2.8921e-04 9.9297e-01 7.0313e-03 1.0000e-10 1.0000e-10 4.4918e-05 1.2995e-08 + 8.0000e-05 -8.3330e+00 9.9967e-01 3.3096e-04 9.9197e-01 8.0327e-03 1.0000e-10 1.0000e-10 5.1326e-05 1.6993e-08 + 9.0000e-05 -8.3326e+00 9.9963e-01 3.7281e-04 9.9097e-01 9.0333e-03 1.0000e-10 1.0000e-10 5.7733e-05 2.1531e-08 + 1.0000e-04 -8.3322e+00 9.9959e-01 4.1478e-04 9.8997e-01 1.0033e-02 1.0000e-10 1.0000e-10 6.4137e-05 2.6613e-08 + 1.1000e-04 -8.3319e+00 9.9954e-01 4.5685e-04 9.8897e-01 1.1032e-02 1.0000e-10 1.0000e-10 7.0538e-05 3.2240e-08 + 1.2000e-04 -8.3315e+00 9.9950e-01 4.9903e-04 9.8797e-01 1.2030e-02 1.0000e-10 1.0000e-10 7.6938e-05 3.8414e-08 + 1.3000e-04 -8.3311e+00 9.9946e-01 5.4133e-04 9.8697e-01 1.3028e-02 1.0000e-10 1.0000e-10 8.3336e-05 4.5136e-08 + 1.4000e-04 -8.3307e+00 9.9942e-01 5.8373e-04 9.8598e-01 1.4025e-02 1.0000e-10 1.0000e-10 8.9731e-05 5.2409e-08 + 1.5000e-04 -8.3304e+00 9.9937e-01 6.2625e-04 9.8498e-01 1.5021e-02 1.0000e-10 1.0000e-10 9.6124e-05 6.0235e-08 + 1.6000e-04 -8.3300e+00 9.9933e-01 6.6888e-04 9.8398e-01 1.6016e-02 1.0000e-10 1.0000e-10 1.0252e-04 6.8616e-08 + 1.7000e-04 -8.3296e+00 9.9929e-01 7.1162e-04 9.8299e-01 1.7010e-02 1.0000e-10 1.0000e-10 1.0890e-04 7.7553e-08 + 1.8000e-04 -8.3292e+00 9.9925e-01 7.5447e-04 9.8200e-01 1.8004e-02 1.0000e-10 1.0000e-10 1.1529e-04 8.7050e-08 + 1.9000e-04 -8.3288e+00 9.9920e-01 7.9744e-04 9.8100e-01 1.8997e-02 1.0000e-10 1.0000e-10 1.2168e-04 9.7106e-08 + 2.0000e-04 -8.3285e+00 9.9916e-01 8.4052e-04 9.8001e-01 1.9989e-02 1.0000e-10 1.0000e-10 1.2806e-04 1.0773e-07 + 2.1000e-04 -8.3281e+00 9.9912e-01 8.8372e-04 9.7902e-01 2.0980e-02 1.0000e-10 1.0000e-10 1.3444e-04 1.1891e-07 + 2.2000e-04 -8.3277e+00 9.9907e-01 9.2703e-04 9.7803e-01 2.1970e-02 1.0000e-10 1.0000e-10 1.4082e-04 1.3066e-07 + 2.3000e-04 -8.3273e+00 9.9903e-01 9.7045e-04 9.7704e-01 2.2960e-02 1.0000e-10 1.0000e-10 1.4719e-04 1.4298e-07 + 2.4000e-04 -8.3270e+00 9.9899e-01 1.0140e-03 9.7605e-01 2.3949e-02 1.0000e-10 1.0000e-10 1.5357e-04 1.5587e-07 + 2.5000e-04 -8.3266e+00 9.9894e-01 1.0577e-03 9.7506e-01 2.4937e-02 1.0000e-10 1.0000e-10 1.5994e-04 1.6934e-07 + 2.6000e-04 -8.3262e+00 9.9890e-01 1.1014e-03 9.7408e-01 2.5925e-02 1.0000e-10 1.0000e-10 1.6631e-04 1.8338e-07 + 2.7000e-04 -8.3258e+00 9.9885e-01 1.1453e-03 9.7309e-01 2.6911e-02 1.0000e-10 1.0000e-10 1.7267e-04 1.9799e-07 + 2.8000e-04 -8.3254e+00 9.9881e-01 1.1893e-03 9.7210e-01 2.7897e-02 1.0000e-10 1.0000e-10 1.7904e-04 2.1319e-07 + 2.9000e-04 -8.3251e+00 9.9877e-01 1.2335e-03 9.7112e-01 2.8882e-02 1.0000e-10 1.0000e-10 1.8540e-04 2.2897e-07 + 3.0000e-04 -8.3247e+00 9.9872e-01 1.2777e-03 9.7013e-01 2.9866e-02 1.0000e-10 1.0000e-10 1.9176e-04 2.4533e-07 + 3.1000e-04 -8.3243e+00 9.9868e-01 1.3221e-03 9.6915e-01 3.0850e-02 1.0000e-10 1.0000e-10 1.9812e-04 2.6228e-07 + 3.2000e-04 -8.3239e+00 9.9863e-01 1.3666e-03 9.6817e-01 3.1833e-02 1.0000e-10 1.0000e-10 2.0448e-04 2.7981e-07 + 3.3000e-04 -8.3236e+00 9.9859e-01 1.4112e-03 9.6719e-01 3.2815e-02 1.0000e-10 1.0000e-10 2.1083e-04 2.9794e-07 + 3.4000e-04 -8.3232e+00 9.9854e-01 1.4559e-03 9.6620e-01 3.3796e-02 1.0000e-10 1.0000e-10 2.1718e-04 3.1666e-07 + 3.5000e-04 -8.3228e+00 9.9850e-01 1.5007e-03 9.6522e-01 3.4776e-02 1.0000e-10 1.0000e-10 2.2353e-04 3.3597e-07 + 3.6000e-04 -8.3224e+00 9.9845e-01 1.5457e-03 9.6424e-01 3.5756e-02 1.0000e-10 1.0000e-10 2.2988e-04 3.5588e-07 + 3.7000e-04 -8.3220e+00 9.9841e-01 1.5908e-03 9.6327e-01 3.6735e-02 1.0000e-10 1.0000e-10 2.3623e-04 3.7639e-07 + 3.8000e-04 -8.3217e+00 9.9836e-01 1.6360e-03 9.6229e-01 3.7713e-02 1.0000e-10 1.0000e-10 2.4257e-04 3.9750e-07 + 3.9000e-04 -8.3213e+00 9.9832e-01 1.6814e-03 9.6131e-01 3.8690e-02 1.0000e-10 1.0000e-10 2.4891e-04 4.1922e-07 + 4.0000e-04 -8.3209e+00 9.9827e-01 1.7268e-03 9.6033e-01 3.9667e-02 1.0000e-10 1.0000e-10 2.5525e-04 4.4154e-07 + 4.1000e-04 -8.3205e+00 9.9823e-01 1.7724e-03 9.5936e-01 4.0643e-02 1.0000e-10 1.0000e-10 2.6159e-04 4.6447e-07 + 4.2000e-04 -8.3201e+00 9.9818e-01 1.8182e-03 9.5838e-01 4.1618e-02 1.0000e-10 1.0000e-10 2.6792e-04 4.8801e-07 + 4.3000e-04 -8.3198e+00 9.9814e-01 1.8640e-03 9.5741e-01 4.2592e-02 1.0000e-10 1.0000e-10 2.7425e-04 5.1216e-07 + 4.4000e-04 -8.3194e+00 9.9809e-01 1.9100e-03 9.5643e-01 4.3566e-02 1.0000e-10 1.0000e-10 2.8058e-04 5.3693e-07 + 4.5000e-04 -8.3190e+00 9.9804e-01 1.9561e-03 9.5546e-01 4.4538e-02 1.0000e-10 1.0000e-10 2.8691e-04 5.6232e-07 + 4.6000e-04 -8.3186e+00 9.9800e-01 2.0023e-03 9.5449e-01 4.5510e-02 1.0000e-10 1.0000e-10 2.9324e-04 5.8832e-07 + 4.7000e-04 -8.3183e+00 9.9795e-01 2.0486e-03 9.5352e-01 4.6481e-02 1.0000e-10 1.0000e-10 2.9956e-04 6.1495e-07 + 4.8000e-04 -8.3179e+00 9.9790e-01 2.0951e-03 9.5255e-01 4.7452e-02 1.0000e-10 1.0000e-10 3.0588e-04 6.4221e-07 + 4.9000e-04 -8.3175e+00 9.9786e-01 2.1417e-03 9.5158e-01 4.8422e-02 1.0000e-10 1.0000e-10 3.1220e-04 6.7009e-07 + 5.0000e-04 -8.3171e+00 9.9781e-01 2.1885e-03 9.5061e-01 4.9390e-02 1.0000e-10 1.0000e-10 3.1852e-04 6.9860e-07 + 5.1000e-04 -8.3167e+00 9.9776e-01 2.2353e-03 9.4964e-01 5.0358e-02 1.0000e-10 1.0000e-10 3.2483e-04 7.2774e-07 + 5.2000e-04 -8.3164e+00 9.9772e-01 2.2823e-03 9.4867e-01 5.1326e-02 1.0000e-10 1.0000e-10 3.3115e-04 7.5752e-07 + 5.3000e-04 -8.3160e+00 9.9767e-01 2.3295e-03 9.4771e-01 5.2292e-02 1.0000e-10 1.0000e-10 3.3746e-04 7.8793e-07 + 5.4000e-04 -8.3156e+00 9.9762e-01 2.3767e-03 9.4674e-01 5.3258e-02 1.0000e-10 1.0000e-10 3.4377e-04 8.1899e-07 + 5.5000e-04 -8.3152e+00 9.9758e-01 2.4241e-03 9.4578e-01 5.4223e-02 1.0000e-10 1.0000e-10 3.5007e-04 8.5068e-07 + 5.6000e-04 -8.3148e+00 9.9753e-01 2.4717e-03 9.4481e-01 5.5187e-02 1.0000e-10 1.0000e-10 3.5638e-04 8.8302e-07 + 5.7000e-04 -8.3145e+00 9.9748e-01 2.5193e-03 9.4385e-01 5.6151e-02 1.0000e-10 1.0000e-10 3.6268e-04 9.1601e-07 + 5.8000e-04 -8.3141e+00 9.9743e-01 2.5671e-03 9.4289e-01 5.7114e-02 1.0000e-10 1.0000e-10 3.6898e-04 9.4965e-07 + 5.9000e-04 -8.3137e+00 9.9738e-01 2.6151e-03 9.4192e-01 5.8076e-02 1.0000e-10 1.0000e-10 3.7527e-04 9.8394e-07 + 6.0000e-04 -8.3133e+00 9.9734e-01 2.6631e-03 9.4096e-01 5.9037e-02 1.0000e-10 1.0000e-10 3.8157e-04 1.0189e-06 + 6.1000e-04 -8.3129e+00 9.9729e-01 2.7114e-03 9.4000e-01 5.9997e-02 1.0000e-10 1.0000e-10 3.8786e-04 1.0545e-06 + 6.2000e-04 -8.3126e+00 9.9724e-01 2.7597e-03 9.3904e-01 6.0957e-02 1.0000e-10 1.0000e-10 3.9415e-04 1.0908e-06 + 6.3000e-04 -8.3122e+00 9.9719e-01 2.8082e-03 9.3808e-01 6.1916e-02 1.0000e-10 1.0000e-10 4.0044e-04 1.1277e-06 + 6.4000e-04 -8.3118e+00 9.9714e-01 2.8568e-03 9.3713e-01 6.2874e-02 1.0000e-10 1.0000e-10 4.0673e-04 1.1653e-06 + 6.5000e-04 -8.3114e+00 9.9709e-01 2.9056e-03 9.3617e-01 6.3831e-02 1.0000e-10 1.0000e-10 4.1301e-04 1.2035e-06 + 6.6000e-04 -8.3110e+00 9.9705e-01 2.9545e-03 9.3521e-01 6.4788e-02 1.0000e-10 1.0000e-10 4.1929e-04 1.2425e-06 + 6.7000e-04 -8.3106e+00 9.9700e-01 3.0035e-03 9.3426e-01 6.5743e-02 1.0000e-10 1.0000e-10 4.2557e-04 1.2821e-06 + 6.8000e-04 -8.3103e+00 9.9695e-01 3.0527e-03 9.3330e-01 6.6698e-02 1.0000e-10 1.0000e-10 4.3185e-04 1.3223e-06 + 6.9000e-04 -8.3099e+00 9.9690e-01 3.1020e-03 9.3235e-01 6.7653e-02 1.0000e-10 1.0000e-10 4.3812e-04 1.3633e-06 + 7.0000e-04 -8.3095e+00 9.9685e-01 3.1515e-03 9.3139e-01 6.8606e-02 1.0000e-10 1.0000e-10 4.4440e-04 1.4049e-06 + 7.1000e-04 -8.3091e+00 9.9680e-01 3.2011e-03 9.3044e-01 6.9559e-02 1.0000e-10 1.0000e-10 4.5067e-04 1.4473e-06 + 7.2000e-04 -8.3087e+00 9.9675e-01 3.2509e-03 9.2949e-01 7.0511e-02 1.0000e-10 1.0000e-10 4.5693e-04 1.4903e-06 + 7.3000e-04 -8.3084e+00 9.9670e-01 3.3008e-03 9.2854e-01 7.1462e-02 1.0000e-10 1.0000e-10 4.6320e-04 1.5340e-06 + 7.4000e-04 -8.3080e+00 9.9665e-01 3.3508e-03 9.2759e-01 7.2412e-02 1.0000e-10 1.0000e-10 4.6946e-04 1.5784e-06 + 7.5000e-04 -8.3076e+00 9.9660e-01 3.4010e-03 9.2664e-01 7.3362e-02 1.0000e-10 1.0000e-10 4.7573e-04 1.6235e-06 + 7.6000e-04 -8.3072e+00 9.9655e-01 3.4514e-03 9.2569e-01 7.4311e-02 1.0000e-10 1.0000e-10 4.8198e-04 1.6693e-06 + 7.7000e-04 -8.3068e+00 9.9650e-01 3.5018e-03 9.2474e-01 7.5259e-02 1.0000e-10 1.0000e-10 4.8824e-04 1.7158e-06 + 7.8000e-04 -8.3065e+00 9.9645e-01 3.5525e-03 9.2379e-01 7.6206e-02 1.0000e-10 1.0000e-10 4.9450e-04 1.7630e-06 + 7.9000e-04 -8.3061e+00 9.9640e-01 3.6033e-03 9.2285e-01 7.7153e-02 1.0000e-10 1.0000e-10 5.0075e-04 1.8109e-06 + 8.0000e-04 -8.3057e+00 9.9635e-01 3.6542e-03 9.2190e-01 7.8099e-02 1.0000e-10 1.0000e-10 5.0700e-04 1.8595e-06 + 8.1000e-04 -8.3053e+00 9.9629e-01 3.7053e-03 9.2096e-01 7.9044e-02 1.0000e-10 1.0000e-10 5.1325e-04 1.9088e-06 + 8.2000e-04 -8.3049e+00 9.9624e-01 3.7565e-03 9.2001e-01 7.9988e-02 1.0000e-10 1.0000e-10 5.1949e-04 1.9588e-06 + 8.3000e-04 -8.3045e+00 9.9619e-01 3.8079e-03 9.1907e-01 8.0931e-02 1.0000e-10 1.0000e-10 5.2574e-04 2.0096e-06 + 8.4000e-04 -8.3042e+00 9.9614e-01 3.8595e-03 9.1813e-01 8.1874e-02 1.0000e-10 1.0000e-10 5.3198e-04 2.0611e-06 + 8.5000e-04 -8.3038e+00 9.9609e-01 3.9111e-03 9.1718e-01 8.2816e-02 1.0000e-10 1.0000e-10 5.3822e-04 2.1133e-06 + 8.6000e-04 -8.3034e+00 9.9604e-01 3.9630e-03 9.1624e-01 8.3757e-02 1.0000e-10 1.0000e-10 5.4445e-04 2.1663e-06 + 8.7000e-04 -8.3030e+00 9.9599e-01 4.0150e-03 9.1530e-01 8.4698e-02 1.0000e-10 1.0000e-10 5.5069e-04 2.2199e-06 + 8.8000e-04 -8.3026e+00 9.9593e-01 4.0672e-03 9.1436e-01 8.5638e-02 1.0000e-10 1.0000e-10 5.5692e-04 2.2743e-06 + 8.9000e-04 -8.3023e+00 9.9588e-01 4.1195e-03 9.1342e-01 8.6576e-02 1.0000e-10 1.0000e-10 5.6315e-04 2.3295e-06 + 9.0000e-04 -8.3019e+00 9.9583e-01 4.1719e-03 9.1249e-01 8.7515e-02 1.0000e-10 1.0000e-10 5.6938e-04 2.3854e-06 + 9.1000e-04 -8.3015e+00 9.9578e-01 4.2246e-03 9.1155e-01 8.8452e-02 1.0000e-10 1.0000e-10 5.7560e-04 2.4420e-06 + 9.2000e-04 -8.3011e+00 9.9572e-01 4.2774e-03 9.1061e-01 8.9389e-02 1.0000e-10 1.0000e-10 5.8183e-04 2.4994e-06 + 9.3000e-04 -8.3007e+00 9.9567e-01 4.3303e-03 9.0968e-01 9.0324e-02 1.0000e-10 1.0000e-10 5.8805e-04 2.5575e-06 + 9.4000e-04 -8.3003e+00 9.9562e-01 4.3834e-03 9.0874e-01 9.1260e-02 1.0000e-10 1.0000e-10 5.9427e-04 2.6164e-06 + 9.5000e-04 -8.3000e+00 9.9556e-01 4.4367e-03 9.0781e-01 9.2194e-02 1.0000e-10 1.0000e-10 6.0048e-04 2.6760e-06 + 9.6000e-04 -8.2996e+00 9.9551e-01 4.4901e-03 9.0687e-01 9.3127e-02 1.0000e-10 1.0000e-10 6.0670e-04 2.7364e-06 + 9.7000e-04 -8.2992e+00 9.9546e-01 4.5437e-03 9.0594e-01 9.4060e-02 1.0000e-10 1.0000e-10 6.1291e-04 2.7976e-06 + 9.8000e-04 -8.2988e+00 9.9540e-01 4.5975e-03 9.0501e-01 9.4992e-02 1.0000e-10 1.0000e-10 6.1912e-04 2.8595e-06 + 9.9000e-04 -8.2984e+00 9.9535e-01 4.6514e-03 9.0408e-01 9.5924e-02 1.0000e-10 1.0000e-10 6.2533e-04 2.9222e-06 + 1.0000e-03 -8.2980e+00 9.9529e-01 4.7055e-03 9.0315e-01 9.6854e-02 1.0000e-10 1.0000e-10 6.3153e-04 2.9857e-06 + 1.0100e-03 -8.2977e+00 9.9524e-01 4.7598e-03 9.0222e-01 9.7784e-02 1.0000e-10 1.0000e-10 6.3774e-04 3.0500e-06 + 1.0200e-03 -8.2974e+00 9.9210e-01 7.9009e-03 9.0147e-01 9.8526e-02 6.4545e-04 2.3524e-06 6.4269e-04 5.1183e-06 + 1.0300e-03 -8.2974e+00 9.7702e-01 2.2983e-02 9.0147e-01 9.8526e-02 6.4379e-04 1.4019e-05 6.4269e-04 1.5118e-05 + 1.0400e-03 -8.2974e+00 9.6239e-01 3.7613e-02 9.0147e-01 9.8526e-02 6.4212e-04 2.5685e-05 6.4269e-04 2.5118e-05 + 1.0500e-03 -8.2974e+00 9.4819e-01 5.1812e-02 9.0147e-01 9.8526e-02 6.4045e-04 3.7351e-05 6.4269e-04 3.5118e-05 + 1.0600e-03 -8.2974e+00 9.3440e-01 6.5598e-02 9.0147e-01 9.8526e-02 6.3879e-04 4.9017e-05 6.4269e-04 4.5118e-05 + 1.0700e-03 -8.2974e+00 9.2101e-01 7.8988e-02 9.0147e-01 9.8526e-02 6.3712e-04 6.0683e-05 6.4269e-04 5.5118e-05 + 1.0800e-03 -8.2974e+00 9.0800e-01 9.2000e-02 9.0147e-01 9.8526e-02 6.3545e-04 7.2350e-05 6.4269e-04 6.5118e-05 + 1.0900e-03 -8.2974e+00 8.9535e-01 1.0465e-01 9.0147e-01 9.8526e-02 6.3379e-04 8.4016e-05 6.4269e-04 7.5118e-05 + 1.1000e-03 -8.2974e+00 8.8305e-01 1.1695e-01 9.0147e-01 9.8526e-02 6.3212e-04 9.5682e-05 6.4269e-04 8.5118e-05 + 1.1100e-03 -8.2974e+00 8.7108e-01 1.2892e-01 9.0147e-01 9.8526e-02 6.3046e-04 1.0735e-04 6.4269e-04 9.5118e-05 + 1.1200e-03 -8.2974e+00 8.5943e-01 1.4057e-01 9.0147e-01 9.8526e-02 6.2879e-04 1.1901e-04 6.4269e-04 1.0512e-04 + 1.1300e-03 -8.2974e+00 8.4809e-01 1.5191e-01 9.0147e-01 9.8526e-02 6.2712e-04 1.3068e-04 6.4269e-04 1.1512e-04 + 1.1400e-03 -8.2974e+00 8.3704e-01 1.6296e-01 9.0147e-01 9.8526e-02 6.2546e-04 1.4235e-04 6.4269e-04 1.2512e-04 + 1.1500e-03 -8.2974e+00 8.2628e-01 1.7372e-01 9.0147e-01 9.8526e-02 6.2379e-04 1.5401e-04 6.4269e-04 1.3512e-04 + 1.1600e-03 -8.2974e+00 8.1579e-01 1.8421e-01 9.0147e-01 9.8526e-02 6.2212e-04 1.6568e-04 6.4269e-04 1.4512e-04 + 1.1700e-03 -8.2974e+00 8.0557e-01 1.9443e-01 9.0147e-01 9.8526e-02 6.2046e-04 1.7735e-04 6.4269e-04 1.5512e-04 + 1.1800e-03 -8.2974e+00 7.9560e-01 2.0440e-01 9.0147e-01 9.8526e-02 6.1879e-04 1.8901e-04 6.4269e-04 1.6512e-04 + 1.1900e-03 -8.2974e+00 7.8587e-01 2.1413e-01 9.0147e-01 9.8526e-02 6.1713e-04 2.0068e-04 6.4269e-04 1.7512e-04 + 1.2000e-03 -8.2974e+00 7.7637e-01 2.2363e-01 9.0147e-01 9.8526e-02 6.1546e-04 2.1234e-04 6.4269e-04 1.8512e-04 + 1.2100e-03 -8.2974e+00 7.6711e-01 2.3289e-01 9.0147e-01 9.8526e-02 6.1379e-04 2.2401e-04 6.4269e-04 1.9512e-04 + 1.2200e-03 -8.2974e+00 7.5806e-01 2.4194e-01 9.0147e-01 9.8526e-02 6.1213e-04 2.3568e-04 6.4269e-04 2.0512e-04 + 1.2300e-03 -8.2974e+00 7.4922e-01 2.5078e-01 9.0147e-01 9.8526e-02 6.1046e-04 2.4734e-04 6.4269e-04 2.1512e-04 + 1.2400e-03 -8.2974e+00 7.4059e-01 2.5941e-01 9.0147e-01 9.8526e-02 6.0880e-04 2.5901e-04 6.4269e-04 2.2512e-04 + 1.2500e-03 -8.2974e+00 7.3215e-01 2.6785e-01 9.0147e-01 9.8526e-02 6.0713e-04 2.7068e-04 6.4269e-04 2.3512e-04 + 1.2600e-03 -8.2974e+00 7.2390e-01 2.7610e-01 9.0147e-01 9.8526e-02 6.0546e-04 2.8234e-04 6.4269e-04 2.4512e-04 + 1.2700e-03 -8.2974e+00 7.1584e-01 2.8416e-01 9.0147e-01 9.8526e-02 6.0380e-04 2.9401e-04 6.4269e-04 2.5512e-04 + 1.2800e-03 -8.2974e+00 7.0796e-01 2.9204e-01 9.0147e-01 9.8526e-02 6.0213e-04 3.0567e-04 6.4269e-04 2.6512e-04 + 1.2900e-03 -8.2974e+00 7.0024e-01 2.9976e-01 9.0147e-01 9.8526e-02 6.0046e-04 3.1734e-04 6.4269e-04 2.7512e-04 + 1.3000e-03 -8.2974e+00 6.9270e-01 3.0730e-01 9.0147e-01 9.8526e-02 5.9880e-04 3.2901e-04 6.4269e-04 2.8512e-04 + 1.3100e-03 -8.2974e+00 6.8531e-01 3.1469e-01 9.0147e-01 9.8526e-02 5.9713e-04 3.4067e-04 6.4269e-04 2.9512e-04 + 1.3200e-03 -8.2974e+00 6.7808e-01 3.2192e-01 9.0147e-01 9.8526e-02 5.9547e-04 3.5234e-04 6.4269e-04 3.0512e-04 + 1.3300e-03 -8.2974e+00 6.7100e-01 3.2900e-01 9.0147e-01 9.8526e-02 5.9380e-04 3.6400e-04 6.4269e-04 3.1512e-04 + 1.3400e-03 -8.2974e+00 6.6407e-01 3.3593e-01 9.0147e-01 9.8526e-02 5.9213e-04 3.7567e-04 6.4269e-04 3.2512e-04 + 1.3500e-03 -8.2974e+00 6.5727e-01 3.4273e-01 9.0147e-01 9.8526e-02 5.9047e-04 3.8734e-04 6.4269e-04 3.3512e-04 + 1.3600e-03 -8.2974e+00 6.5062e-01 3.4938e-01 9.0147e-01 9.8526e-02 5.8880e-04 3.9900e-04 6.4269e-04 3.4512e-04 + 1.3700e-03 -8.2974e+00 6.4410e-01 3.5590e-01 9.0147e-01 9.8526e-02 5.8713e-04 4.1067e-04 6.4269e-04 3.5512e-04 + 1.3800e-03 -8.2974e+00 6.3771e-01 3.6229e-01 9.0147e-01 9.8526e-02 5.8547e-04 4.2234e-04 6.4269e-04 3.6512e-04 + 1.3900e-03 -8.2974e+00 6.3144e-01 3.6856e-01 9.0147e-01 9.8526e-02 5.8380e-04 4.3400e-04 6.4269e-04 3.7512e-04 + 1.4000e-03 -8.2974e+00 6.2530e-01 3.7470e-01 9.0147e-01 9.8526e-02 5.8214e-04 4.4567e-04 6.4269e-04 3.8512e-04 + 1.4100e-03 -8.2974e+00 6.1927e-01 3.8073e-01 9.0147e-01 9.8526e-02 5.8047e-04 4.5733e-04 6.4269e-04 3.9512e-04 + 1.4200e-03 -8.2974e+00 6.1336e-01 3.8664e-01 9.0147e-01 9.8526e-02 5.7880e-04 4.6900e-04 6.4269e-04 4.0512e-04 + 1.4300e-03 -8.2974e+00 6.0757e-01 3.9243e-01 9.0147e-01 9.8526e-02 5.7714e-04 4.8067e-04 6.4269e-04 4.1512e-04 + 1.4400e-03 -8.2974e+00 6.0188e-01 3.9812e-01 9.0147e-01 9.8526e-02 5.7547e-04 4.9233e-04 6.4269e-04 4.2512e-04 + 1.4500e-03 -8.2974e+00 5.9629e-01 4.0371e-01 9.0147e-01 9.8526e-02 5.7380e-04 5.0400e-04 6.4269e-04 4.3512e-04 + 1.4600e-03 -8.2974e+00 5.9081e-01 4.0919e-01 9.0147e-01 9.8526e-02 5.7214e-04 5.1567e-04 6.4269e-04 4.4512e-04 + 1.4700e-03 -8.2974e+00 5.8543e-01 4.1457e-01 9.0147e-01 9.8526e-02 5.7047e-04 5.2733e-04 6.4269e-04 4.5512e-04 + 1.4800e-03 -8.2974e+00 5.8014e-01 4.1986e-01 9.0147e-01 9.8526e-02 5.6881e-04 5.3900e-04 6.4269e-04 4.6512e-04 + 1.4900e-03 -8.2974e+00 5.7495e-01 4.2505e-01 9.0147e-01 9.8526e-02 5.6714e-04 5.5066e-04 6.4269e-04 4.7512e-04 + 1.5000e-03 -8.2974e+00 5.6986e-01 4.3014e-01 9.0147e-01 9.8526e-02 5.6547e-04 5.6233e-04 6.4269e-04 4.8512e-04 + 1.5100e-03 -8.2974e+00 5.6485e-01 4.3515e-01 9.0147e-01 9.8526e-02 5.6381e-04 5.7400e-04 6.4269e-04 4.9512e-04 + 1.5200e-03 -8.2974e+00 5.5993e-01 4.4007e-01 9.0147e-01 9.8526e-02 5.6214e-04 5.8566e-04 6.4269e-04 5.0512e-04 + 1.5300e-03 -8.2974e+00 5.5509e-01 4.4491e-01 9.0147e-01 9.8526e-02 5.6048e-04 5.9733e-04 6.4269e-04 5.1512e-04 + 1.5400e-03 -8.2974e+00 5.5034e-01 4.4966e-01 9.0147e-01 9.8526e-02 5.5881e-04 6.0899e-04 6.4269e-04 5.2512e-04 + 1.5500e-03 -8.2974e+00 5.4566e-01 4.5434e-01 9.0147e-01 9.8526e-02 5.5714e-04 6.2066e-04 6.4269e-04 5.3512e-04 + 1.5600e-03 -8.2974e+00 5.4107e-01 4.5893e-01 9.0147e-01 9.8526e-02 5.5548e-04 6.3233e-04 6.4269e-04 5.4512e-04 + 1.5700e-03 -8.2974e+00 5.3655e-01 4.6345e-01 9.0147e-01 9.8526e-02 5.5381e-04 6.4399e-04 6.4269e-04 5.5512e-04 + 1.5800e-03 -8.2974e+00 5.3211e-01 4.6789e-01 9.0147e-01 9.8526e-02 5.5214e-04 6.5566e-04 6.4269e-04 5.6512e-04 + 1.5900e-03 -8.2974e+00 5.2774e-01 4.7226e-01 9.0147e-01 9.8526e-02 5.5048e-04 6.6733e-04 6.4269e-04 5.7512e-04 + 1.6000e-03 -8.2974e+00 5.2344e-01 4.7656e-01 9.0147e-01 9.8526e-02 5.4881e-04 6.7899e-04 6.4269e-04 5.8512e-04 + 1.6100e-03 -8.2974e+00 5.1921e-01 4.8079e-01 9.0147e-01 9.8526e-02 5.4715e-04 6.9066e-04 6.4269e-04 5.9512e-04 + 1.6200e-03 -8.2974e+00 5.1505e-01 4.8495e-01 9.0147e-01 9.8526e-02 5.4548e-04 7.0232e-04 6.4269e-04 6.0512e-04 + 1.6300e-03 -8.2974e+00 5.1096e-01 4.8904e-01 9.0147e-01 9.8526e-02 5.4381e-04 7.1399e-04 6.4269e-04 6.1512e-04 + 1.6400e-03 -8.2974e+00 5.0693e-01 4.9307e-01 9.0147e-01 9.8526e-02 5.4215e-04 7.2566e-04 6.4269e-04 6.2512e-04 + 1.6500e-03 -8.2974e+00 5.0296e-01 4.9704e-01 9.0147e-01 9.8526e-02 5.4048e-04 7.3732e-04 6.4269e-04 6.3512e-04 + 1.6600e-03 -8.2974e+00 4.9906e-01 5.0094e-01 9.0147e-01 9.8526e-02 5.3881e-04 7.4899e-04 6.4269e-04 6.4512e-04 + 1.6700e-03 -8.2974e+00 4.9521e-01 5.0479e-01 9.0147e-01 9.8526e-02 5.3715e-04 7.6066e-04 6.4269e-04 6.5512e-04 + 1.6800e-03 -8.2974e+00 4.9142e-01 5.0858e-01 9.0147e-01 9.8526e-02 5.3548e-04 7.7232e-04 6.4269e-04 6.6512e-04 + 1.6900e-03 -8.2974e+00 4.8769e-01 5.1231e-01 9.0147e-01 9.8526e-02 5.3382e-04 7.8399e-04 6.4269e-04 6.7512e-04 + 1.7000e-03 -8.2974e+00 4.8402e-01 5.1598e-01 9.0147e-01 9.8526e-02 5.3215e-04 7.9565e-04 6.4269e-04 6.8512e-04 + 1.7100e-03 -8.2974e+00 4.8040e-01 5.1960e-01 9.0147e-01 9.8526e-02 5.3048e-04 8.0732e-04 6.4269e-04 6.9512e-04 + 1.7200e-03 -8.2974e+00 4.7684e-01 5.2316e-01 9.0147e-01 9.8526e-02 5.2882e-04 8.1899e-04 6.4269e-04 7.0512e-04 + 1.7300e-03 -8.2974e+00 4.7333e-01 5.2667e-01 9.0147e-01 9.8526e-02 5.2715e-04 8.3065e-04 6.4269e-04 7.1512e-04 + 1.7400e-03 -8.2974e+00 4.6987e-01 5.3013e-01 9.0147e-01 9.8526e-02 5.2549e-04 8.4232e-04 6.4269e-04 7.2512e-04 + 1.7500e-03 -8.2974e+00 4.6646e-01 5.3354e-01 9.0147e-01 9.8526e-02 5.2382e-04 8.5399e-04 6.4269e-04 7.3512e-04 + 1.7600e-03 -8.2974e+00 4.6310e-01 5.3690e-01 9.0147e-01 9.8526e-02 5.2215e-04 8.6565e-04 6.4269e-04 7.4512e-04 + 1.7700e-03 -8.2974e+00 4.5978e-01 5.4022e-01 9.0147e-01 9.8526e-02 5.2049e-04 8.7732e-04 6.4269e-04 7.5512e-04 + 1.7800e-03 -8.2974e+00 4.5652e-01 5.4348e-01 9.0147e-01 9.8526e-02 5.1882e-04 8.8898e-04 6.4269e-04 7.6512e-04 + 1.7900e-03 -8.2974e+00 4.5330e-01 5.4670e-01 9.0147e-01 9.8526e-02 5.1715e-04 9.0065e-04 6.4269e-04 7.7512e-04 + 1.8000e-03 -8.2974e+00 4.5012e-01 5.4988e-01 9.0147e-01 9.8526e-02 5.1549e-04 9.1232e-04 6.4269e-04 7.8512e-04 + 1.8100e-03 -8.2974e+00 4.4699e-01 5.5301e-01 9.0147e-01 9.8526e-02 5.1382e-04 9.2398e-04 6.4269e-04 7.9512e-04 + 1.8200e-03 -8.2974e+00 4.4390e-01 5.5610e-01 9.0147e-01 9.8526e-02 5.1216e-04 9.3565e-04 6.4269e-04 8.0512e-04 + 1.8300e-03 -8.2974e+00 4.4086e-01 5.5914e-01 9.0147e-01 9.8526e-02 5.1049e-04 9.4731e-04 6.4269e-04 8.1512e-04 + 1.8400e-03 -8.2974e+00 4.3786e-01 5.6214e-01 9.0147e-01 9.8526e-02 5.0882e-04 9.5898e-04 6.4269e-04 8.2512e-04 + 1.8500e-03 -8.2974e+00 4.3489e-01 5.6511e-01 9.0147e-01 9.8526e-02 5.0716e-04 9.7065e-04 6.4269e-04 8.3512e-04 + 1.8600e-03 -8.2974e+00 4.3197e-01 5.6803e-01 9.0147e-01 9.8526e-02 5.0549e-04 9.8231e-04 6.4269e-04 8.4512e-04 + 1.8700e-03 -8.2974e+00 4.2909e-01 5.7091e-01 9.0147e-01 9.8526e-02 5.0382e-04 9.9398e-04 6.4269e-04 8.5512e-04 + 1.8800e-03 -8.2974e+00 4.2624e-01 5.7376e-01 9.0147e-01 9.8526e-02 5.0216e-04 1.0056e-03 6.4269e-04 8.6512e-04 + 1.8900e-03 -8.2974e+00 4.2343e-01 5.7657e-01 9.0147e-01 9.8526e-02 5.0049e-04 1.0173e-03 6.4269e-04 8.7512e-04 + 1.9000e-03 -8.2974e+00 4.2066e-01 5.7934e-01 9.0147e-01 9.8526e-02 4.9883e-04 1.0290e-03 6.4269e-04 8.8512e-04 + 1.9100e-03 -8.2974e+00 4.1792e-01 5.8208e-01 9.0147e-01 9.8526e-02 4.9716e-04 1.0406e-03 6.4269e-04 8.9512e-04 + 1.9200e-03 -8.2974e+00 4.1522e-01 5.8478e-01 9.0147e-01 9.8526e-02 4.9549e-04 1.0523e-03 6.4269e-04 9.0512e-04 + 1.9300e-03 -8.2974e+00 4.1256e-01 5.8744e-01 9.0147e-01 9.8526e-02 4.9383e-04 1.0640e-03 6.4269e-04 9.1512e-04 + 1.9400e-03 -8.2974e+00 4.0993e-01 5.9007e-01 9.0147e-01 9.8526e-02 4.9216e-04 1.0756e-03 6.4269e-04 9.2512e-04 + 1.9500e-03 -8.2974e+00 4.0733e-01 5.9267e-01 9.0147e-01 9.8526e-02 4.9049e-04 1.0873e-03 6.4269e-04 9.3512e-04 + 1.9600e-03 -8.2974e+00 4.0476e-01 5.9524e-01 9.0147e-01 9.8526e-02 4.8883e-04 1.0990e-03 6.4269e-04 9.4512e-04 + 1.9700e-03 -8.2974e+00 4.0223e-01 5.9777e-01 9.0147e-01 9.8526e-02 4.8716e-04 1.1106e-03 6.4269e-04 9.5512e-04 + 1.9800e-03 -8.2974e+00 3.9973e-01 6.0027e-01 9.0147e-01 9.8526e-02 4.8550e-04 1.1223e-03 6.4269e-04 9.6512e-04 + 1.9900e-03 -8.2974e+00 3.9726e-01 6.0274e-01 9.0147e-01 9.8526e-02 4.8383e-04 1.1340e-03 6.4269e-04 9.7512e-04 + 2.0000e-03 -8.2974e+00 3.9482e-01 6.0518e-01 9.0147e-01 9.8526e-02 4.8216e-04 1.1456e-03 6.4269e-04 9.8512e-04 + 2.0100e-03 -8.2974e+00 3.9241e-01 6.0759e-01 9.0147e-01 9.8526e-02 4.8050e-04 1.1573e-03 6.4269e-04 9.9512e-04 + 2.0200e-03 -8.2974e+00 3.9003e-01 6.0997e-01 9.0147e-01 9.8526e-02 4.7883e-04 1.1690e-03 6.4269e-04 1.0051e-03 + 2.0300e-03 -8.2974e+00 3.8767e-01 6.1233e-01 9.0147e-01 9.8526e-02 4.7717e-04 1.1806e-03 6.4269e-04 1.0151e-03 + 2.0400e-03 -8.2974e+00 3.8535e-01 6.1465e-01 9.0147e-01 9.8526e-02 4.7550e-04 1.1923e-03 6.4269e-04 1.0251e-03 + 2.0500e-03 -8.2974e+00 3.8305e-01 6.1695e-01 9.0147e-01 9.8526e-02 4.7383e-04 1.2040e-03 6.4269e-04 1.0351e-03 + 2.0600e-03 -8.2974e+00 3.8078e-01 6.1922e-01 9.0147e-01 9.8526e-02 4.7217e-04 1.2156e-03 6.4269e-04 1.0451e-03 + 2.0700e-03 -8.2974e+00 3.7854e-01 6.2146e-01 9.0147e-01 9.8526e-02 4.7050e-04 1.2273e-03 6.4269e-04 1.0551e-03 + 2.0800e-03 -8.2974e+00 3.7632e-01 6.2368e-01 9.0147e-01 9.8526e-02 4.6883e-04 1.2390e-03 6.4269e-04 1.0651e-03 + 2.0900e-03 -8.2974e+00 3.7413e-01 6.2587e-01 9.0147e-01 9.8526e-02 4.6717e-04 1.2506e-03 6.4269e-04 1.0751e-03 + 2.1000e-03 -8.2974e+00 3.7197e-01 6.2803e-01 9.0147e-01 9.8526e-02 4.6550e-04 1.2623e-03 6.4269e-04 1.0851e-03 + 2.1100e-03 -8.2974e+00 3.6983e-01 6.3017e-01 9.0147e-01 9.8526e-02 4.6384e-04 1.2740e-03 6.4269e-04 1.0951e-03 + 2.1200e-03 -8.2974e+00 3.6771e-01 6.3229e-01 9.0147e-01 9.8526e-02 4.6217e-04 1.2856e-03 6.4269e-04 1.1051e-03 + 2.1300e-03 -8.2974e+00 3.6562e-01 6.3438e-01 9.0147e-01 9.8526e-02 4.6050e-04 1.2973e-03 6.4269e-04 1.1151e-03 + 2.1400e-03 -8.2974e+00 3.6355e-01 6.3645e-01 9.0147e-01 9.8526e-02 4.5884e-04 1.3090e-03 6.4269e-04 1.1251e-03 + 2.1500e-03 -8.2974e+00 3.6151e-01 6.3849e-01 9.0147e-01 9.8526e-02 4.5717e-04 1.3206e-03 6.4269e-04 1.1351e-03 + 2.1600e-03 -8.2974e+00 3.5948e-01 6.4052e-01 9.0147e-01 9.8526e-02 4.5550e-04 1.3323e-03 6.4269e-04 1.1451e-03 + 2.1700e-03 -8.2974e+00 3.5748e-01 6.4252e-01 9.0147e-01 9.8526e-02 4.5384e-04 1.3440e-03 6.4269e-04 1.1551e-03 + 2.1800e-03 -8.2974e+00 3.5551e-01 6.4449e-01 9.0147e-01 9.8526e-02 4.5217e-04 1.3556e-03 6.4269e-04 1.1651e-03 + 2.1900e-03 -8.2974e+00 3.5355e-01 6.4645e-01 9.0147e-01 9.8526e-02 4.5051e-04 1.3673e-03 6.4269e-04 1.1751e-03 + 2.2000e-03 -8.2974e+00 3.5162e-01 6.4838e-01 9.0147e-01 9.8526e-02 4.4884e-04 1.3790e-03 6.4269e-04 1.1851e-03 + 2.2100e-03 -8.2974e+00 3.4970e-01 6.5030e-01 9.0147e-01 9.8526e-02 4.4717e-04 1.3906e-03 6.4269e-04 1.1951e-03 + 2.2200e-03 -8.2974e+00 3.4781e-01 6.5219e-01 9.0147e-01 9.8526e-02 4.4551e-04 1.4023e-03 6.4269e-04 1.2051e-03 + 2.2300e-03 -8.2974e+00 3.4594e-01 6.5406e-01 9.0147e-01 9.8526e-02 4.4384e-04 1.4140e-03 6.4269e-04 1.2151e-03 + 2.2400e-03 -8.2974e+00 3.4409e-01 6.5591e-01 9.0147e-01 9.8526e-02 4.4217e-04 1.4256e-03 6.4269e-04 1.2251e-03 + 2.2500e-03 -8.2974e+00 3.4225e-01 6.5775e-01 9.0147e-01 9.8526e-02 4.4051e-04 1.4373e-03 6.4269e-04 1.2351e-03 + 2.2600e-03 -8.2974e+00 3.4044e-01 6.5956e-01 9.0147e-01 9.8526e-02 4.3884e-04 1.4490e-03 6.4269e-04 1.2451e-03 + 2.2700e-03 -8.2974e+00 3.3865e-01 6.6135e-01 9.0147e-01 9.8526e-02 4.3718e-04 1.4606e-03 6.4269e-04 1.2551e-03 + 2.2800e-03 -8.2974e+00 3.3687e-01 6.6313e-01 9.0147e-01 9.8526e-02 4.3551e-04 1.4723e-03 6.4269e-04 1.2651e-03 + 2.2900e-03 -8.2974e+00 3.3512e-01 6.6488e-01 9.0147e-01 9.8526e-02 4.3384e-04 1.4840e-03 6.4269e-04 1.2751e-03 + 2.3000e-03 -8.2974e+00 3.3338e-01 6.6662e-01 9.0147e-01 9.8526e-02 4.3218e-04 1.4956e-03 6.4269e-04 1.2851e-03 + 2.3100e-03 -8.2974e+00 3.3166e-01 6.6834e-01 9.0147e-01 9.8526e-02 4.3051e-04 1.5073e-03 6.4269e-04 1.2951e-03 + 2.3200e-03 -8.2974e+00 3.2995e-01 6.7005e-01 9.0147e-01 9.8526e-02 4.2885e-04 1.5190e-03 6.4269e-04 1.3051e-03 + 2.3300e-03 -8.2974e+00 3.2827e-01 6.7173e-01 9.0147e-01 9.8526e-02 4.2718e-04 1.5306e-03 6.4269e-04 1.3151e-03 + 2.3400e-03 -8.2974e+00 3.2660e-01 6.7340e-01 9.0147e-01 9.8526e-02 4.2551e-04 1.5423e-03 6.4269e-04 1.3251e-03 + 2.3500e-03 -8.2974e+00 3.2495e-01 6.7505e-01 9.0147e-01 9.8526e-02 4.2385e-04 1.5540e-03 6.4269e-04 1.3351e-03 + 2.3600e-03 -8.2974e+00 3.2331e-01 6.7669e-01 9.0147e-01 9.8526e-02 4.2218e-04 1.5656e-03 6.4269e-04 1.3451e-03 + 2.3700e-03 -8.2974e+00 3.2170e-01 6.7830e-01 9.0147e-01 9.8526e-02 4.2051e-04 1.5773e-03 6.4269e-04 1.3551e-03 + 2.3800e-03 -8.2974e+00 3.2009e-01 6.7991e-01 9.0147e-01 9.8526e-02 4.1885e-04 1.5890e-03 6.4269e-04 1.3651e-03 + 2.3900e-03 -8.2974e+00 3.1851e-01 6.8149e-01 9.0147e-01 9.8526e-02 4.1718e-04 1.6006e-03 6.4269e-04 1.3751e-03 + 2.4000e-03 -8.2974e+00 3.1694e-01 6.8306e-01 9.0147e-01 9.8526e-02 4.1552e-04 1.6123e-03 6.4269e-04 1.3851e-03 + 2.4100e-03 -8.2974e+00 3.1538e-01 6.8462e-01 9.0147e-01 9.8526e-02 4.1385e-04 1.6240e-03 6.4269e-04 1.3951e-03 + 2.4200e-03 -8.2974e+00 3.1384e-01 6.8616e-01 9.0147e-01 9.8526e-02 4.1218e-04 1.6356e-03 6.4269e-04 1.4051e-03 + 2.4300e-03 -8.2974e+00 3.1232e-01 6.8768e-01 9.0147e-01 9.8526e-02 4.1052e-04 1.6473e-03 6.4269e-04 1.4151e-03 + 2.4400e-03 -8.2974e+00 3.1081e-01 6.8919e-01 9.0147e-01 9.8526e-02 4.0885e-04 1.6590e-03 6.4269e-04 1.4251e-03 + 2.4500e-03 -8.2974e+00 3.0931e-01 6.9069e-01 9.0147e-01 9.8526e-02 4.0718e-04 1.6706e-03 6.4269e-04 1.4351e-03 + 2.4600e-03 -8.2974e+00 3.0783e-01 6.9217e-01 9.0147e-01 9.8526e-02 4.0552e-04 1.6823e-03 6.4269e-04 1.4451e-03 + 2.4700e-03 -8.2974e+00 3.0636e-01 6.9364e-01 9.0147e-01 9.8526e-02 4.0385e-04 1.6940e-03 6.4269e-04 1.4551e-03 + 2.4800e-03 -8.2974e+00 3.0491e-01 6.9509e-01 9.0147e-01 9.8526e-02 4.0219e-04 1.7056e-03 6.4269e-04 1.4651e-03 + 2.4900e-03 -8.2974e+00 3.0347e-01 6.9653e-01 9.0147e-01 9.8526e-02 4.0052e-04 1.7173e-03 6.4269e-04 1.4751e-03 + 2.5000e-03 -8.2974e+00 3.0204e-01 6.9796e-01 9.0147e-01 9.8526e-02 3.9885e-04 1.7290e-03 6.4269e-04 1.4851e-03 + 2.5100e-03 -8.2974e+00 3.0063e-01 6.9937e-01 9.0147e-01 9.8526e-02 3.9719e-04 1.7406e-03 6.4269e-04 1.4951e-03 + 2.5200e-03 -8.2974e+00 2.9923e-01 7.0077e-01 9.0147e-01 9.8526e-02 3.9552e-04 1.7523e-03 6.4269e-04 1.5051e-03 + 2.5300e-03 -8.2974e+00 2.9784e-01 7.0216e-01 9.0147e-01 9.8526e-02 3.9386e-04 1.7639e-03 6.4269e-04 1.5151e-03 + 2.5400e-03 -8.2974e+00 2.9647e-01 7.0353e-01 9.0147e-01 9.8526e-02 3.9219e-04 1.7756e-03 6.4269e-04 1.5251e-03 + 2.5500e-03 -8.2974e+00 2.9511e-01 7.0489e-01 9.0147e-01 9.8526e-02 3.9052e-04 1.7873e-03 6.4269e-04 1.5351e-03 + 2.5600e-03 -8.2974e+00 2.9376e-01 7.0624e-01 9.0147e-01 9.8526e-02 3.8886e-04 1.7989e-03 6.4269e-04 1.5451e-03 + 2.5700e-03 -8.2974e+00 2.9242e-01 7.0758e-01 9.0147e-01 9.8526e-02 3.8719e-04 1.8106e-03 6.4269e-04 1.5551e-03 + 2.5800e-03 -8.2974e+00 2.9110e-01 7.0890e-01 9.0147e-01 9.8526e-02 3.8552e-04 1.8223e-03 6.4269e-04 1.5651e-03 + 2.5900e-03 -8.2974e+00 2.8978e-01 7.1022e-01 9.0147e-01 9.8526e-02 3.8386e-04 1.8339e-03 6.4269e-04 1.5751e-03 + 2.6000e-03 -8.2974e+00 2.8848e-01 7.1152e-01 9.0147e-01 9.8526e-02 3.8219e-04 1.8456e-03 6.4269e-04 1.5851e-03 + 2.6100e-03 -8.2974e+00 2.8719e-01 7.1281e-01 9.0147e-01 9.8526e-02 3.8053e-04 1.8573e-03 6.4269e-04 1.5951e-03 + 2.6200e-03 -8.2974e+00 2.8592e-01 7.1408e-01 9.0147e-01 9.8526e-02 3.7886e-04 1.8689e-03 6.4269e-04 1.6051e-03 + 2.6300e-03 -8.2974e+00 2.8465e-01 7.1535e-01 9.0147e-01 9.8526e-02 3.7719e-04 1.8806e-03 6.4269e-04 1.6151e-03 + 2.6400e-03 -8.2974e+00 2.8340e-01 7.1660e-01 9.0147e-01 9.8526e-02 3.7553e-04 1.8923e-03 6.4269e-04 1.6251e-03 + 2.6500e-03 -8.2974e+00 2.8215e-01 7.1785e-01 9.0147e-01 9.8526e-02 3.7386e-04 1.9039e-03 6.4269e-04 1.6351e-03 + 2.6600e-03 -8.2974e+00 2.8092e-01 7.1908e-01 9.0147e-01 9.8526e-02 3.7219e-04 1.9156e-03 6.4269e-04 1.6451e-03 + 2.6700e-03 -8.2974e+00 2.7970e-01 7.2030e-01 9.0147e-01 9.8526e-02 3.7053e-04 1.9273e-03 6.4269e-04 1.6551e-03 + 2.6800e-03 -8.2974e+00 2.7848e-01 7.2152e-01 9.0147e-01 9.8526e-02 3.6886e-04 1.9389e-03 6.4269e-04 1.6651e-03 + 2.6900e-03 -8.2974e+00 2.7728e-01 7.2272e-01 9.0147e-01 9.8526e-02 3.6720e-04 1.9506e-03 6.4269e-04 1.6751e-03 + 2.7000e-03 -8.2974e+00 2.7609e-01 7.2391e-01 9.0147e-01 9.8526e-02 3.6553e-04 1.9623e-03 6.4269e-04 1.6851e-03 + 2.7100e-03 -8.2974e+00 2.7491e-01 7.2509e-01 9.0147e-01 9.8526e-02 3.6386e-04 1.9739e-03 6.4269e-04 1.6951e-03 + 2.7200e-03 -8.2974e+00 2.7374e-01 7.2626e-01 9.0147e-01 9.8526e-02 3.6220e-04 1.9856e-03 6.4269e-04 1.7051e-03 + 2.7300e-03 -8.2974e+00 2.7258e-01 7.2742e-01 9.0147e-01 9.8526e-02 3.6053e-04 1.9973e-03 6.4269e-04 1.7151e-03 + 2.7400e-03 -8.2974e+00 2.7143e-01 7.2857e-01 9.0147e-01 9.8526e-02 3.5886e-04 2.0089e-03 6.4269e-04 1.7251e-03 + 2.7500e-03 -8.2974e+00 2.7029e-01 7.2971e-01 9.0147e-01 9.8526e-02 3.5720e-04 2.0206e-03 6.4269e-04 1.7351e-03 + 2.7600e-03 -8.2974e+00 2.6915e-01 7.3085e-01 9.0147e-01 9.8526e-02 3.5553e-04 2.0323e-03 6.4269e-04 1.7451e-03 + 2.7700e-03 -8.2974e+00 2.6803e-01 7.3197e-01 9.0147e-01 9.8526e-02 3.5387e-04 2.0439e-03 6.4269e-04 1.7551e-03 + 2.7800e-03 -8.2974e+00 2.6692e-01 7.3308e-01 9.0147e-01 9.8526e-02 3.5220e-04 2.0556e-03 6.4269e-04 1.7651e-03 + 2.7900e-03 -8.2974e+00 2.6581e-01 7.3419e-01 9.0147e-01 9.8526e-02 3.5053e-04 2.0673e-03 6.4269e-04 1.7751e-03 + 2.8000e-03 -8.2974e+00 2.6472e-01 7.3528e-01 9.0147e-01 9.8526e-02 3.4887e-04 2.0789e-03 6.4269e-04 1.7851e-03 + 2.8100e-03 -8.2974e+00 2.6363e-01 7.3637e-01 9.0147e-01 9.8526e-02 3.4720e-04 2.0906e-03 6.4269e-04 1.7951e-03 + 2.8200e-03 -8.2974e+00 2.6256e-01 7.3744e-01 9.0147e-01 9.8526e-02 3.4554e-04 2.1023e-03 6.4269e-04 1.8051e-03 + 2.8300e-03 -8.2974e+00 2.6149e-01 7.3851e-01 9.0147e-01 9.8526e-02 3.4387e-04 2.1139e-03 6.4269e-04 1.8151e-03 + 2.8400e-03 -8.2974e+00 2.6043e-01 7.3957e-01 9.0147e-01 9.8526e-02 3.4220e-04 2.1256e-03 6.4269e-04 1.8251e-03 + 2.8500e-03 -8.2974e+00 2.5938e-01 7.4062e-01 9.0147e-01 9.8526e-02 3.4054e-04 2.1373e-03 6.4269e-04 1.8351e-03 + 2.8600e-03 -8.2974e+00 2.5833e-01 7.4167e-01 9.0147e-01 9.8526e-02 3.3887e-04 2.1489e-03 6.4269e-04 1.8451e-03 + 2.8700e-03 -8.2974e+00 2.5730e-01 7.4270e-01 9.0147e-01 9.8526e-02 3.3720e-04 2.1606e-03 6.4269e-04 1.8551e-03 + 2.8800e-03 -8.2974e+00 2.5627e-01 7.4373e-01 9.0147e-01 9.8526e-02 3.3554e-04 2.1723e-03 6.4269e-04 1.8651e-03 + 2.8900e-03 -8.2974e+00 2.5526e-01 7.4474e-01 9.0147e-01 9.8526e-02 3.3387e-04 2.1839e-03 6.4269e-04 1.8751e-03 + 2.9000e-03 -8.2974e+00 2.5425e-01 7.4575e-01 9.0147e-01 9.8526e-02 3.3221e-04 2.1956e-03 6.4269e-04 1.8851e-03 + 2.9100e-03 -8.2974e+00 2.5324e-01 7.4676e-01 9.0147e-01 9.8526e-02 3.3054e-04 2.2073e-03 6.4269e-04 1.8951e-03 + 2.9200e-03 -8.2974e+00 2.5225e-01 7.4775e-01 9.0147e-01 9.8526e-02 3.2887e-04 2.2189e-03 6.4269e-04 1.9051e-03 + 2.9300e-03 -8.2974e+00 2.5126e-01 7.4874e-01 9.0147e-01 9.8526e-02 3.2721e-04 2.2306e-03 6.4269e-04 1.9151e-03 + 2.9400e-03 -8.2974e+00 2.5029e-01 7.4971e-01 9.0147e-01 9.8526e-02 3.2554e-04 2.2423e-03 6.4269e-04 1.9251e-03 + 2.9500e-03 -8.2974e+00 2.4932e-01 7.5068e-01 9.0147e-01 9.8526e-02 3.2387e-04 2.2539e-03 6.4269e-04 1.9351e-03 + 2.9600e-03 -8.2974e+00 2.4835e-01 7.5165e-01 9.0147e-01 9.8526e-02 3.2221e-04 2.2656e-03 6.4269e-04 1.9451e-03 + 2.9700e-03 -8.2974e+00 2.4740e-01 7.5260e-01 9.0147e-01 9.8526e-02 3.2054e-04 2.2773e-03 6.4269e-04 1.9551e-03 + 2.9800e-03 -8.2974e+00 2.4645e-01 7.5355e-01 9.0147e-01 9.8526e-02 3.1888e-04 2.2889e-03 6.4269e-04 1.9651e-03 + 2.9900e-03 -8.2974e+00 2.4551e-01 7.5449e-01 9.0147e-01 9.8526e-02 3.1721e-04 2.3006e-03 6.4269e-04 1.9751e-03 + 3.0000e-03 -8.2974e+00 2.4457e-01 7.5543e-01 9.0147e-01 9.8526e-02 3.1554e-04 2.3123e-03 6.4269e-04 1.9851e-03 + 3.0100e-03 -8.2974e+00 2.4364e-01 7.5636e-01 9.0147e-01 9.8526e-02 3.1388e-04 2.3239e-03 6.4269e-04 1.9951e-03 + 3.0200e-03 -8.2974e+00 2.4272e-01 7.5728e-01 9.0147e-01 9.8526e-02 3.1221e-04 2.3356e-03 6.4269e-04 2.0051e-03 + 3.0300e-03 -8.2974e+00 2.4181e-01 7.5819e-01 9.0147e-01 9.8526e-02 3.1054e-04 2.3473e-03 6.4269e-04 2.0151e-03 + 3.0400e-03 -8.2974e+00 2.4090e-01 7.5910e-01 9.0147e-01 9.8526e-02 3.0888e-04 2.3589e-03 6.4269e-04 2.0251e-03 + 3.0500e-03 -8.2974e+00 2.4000e-01 7.6000e-01 9.0147e-01 9.8526e-02 3.0721e-04 2.3706e-03 6.4269e-04 2.0351e-03 + 3.0600e-03 -8.2974e+00 2.3911e-01 7.6089e-01 9.0147e-01 9.8526e-02 3.0555e-04 2.3823e-03 6.4269e-04 2.0451e-03 + 3.0700e-03 -8.2974e+00 2.3823e-01 7.6177e-01 9.0147e-01 9.8526e-02 3.0388e-04 2.3939e-03 6.4269e-04 2.0551e-03 + 3.0800e-03 -8.2974e+00 2.3735e-01 7.6265e-01 9.0147e-01 9.8526e-02 3.0221e-04 2.4056e-03 6.4269e-04 2.0651e-03 + 3.0900e-03 -8.2974e+00 2.3647e-01 7.6353e-01 9.0147e-01 9.8526e-02 3.0055e-04 2.4173e-03 6.4269e-04 2.0751e-03 + 3.1000e-03 -8.2974e+00 2.3561e-01 7.6439e-01 9.0147e-01 9.8526e-02 2.9888e-04 2.4289e-03 6.4269e-04 2.0851e-03 + 3.1100e-03 -8.2974e+00 2.3474e-01 7.6526e-01 9.0147e-01 9.8526e-02 2.9722e-04 2.4406e-03 6.4269e-04 2.0951e-03 + 3.1200e-03 -8.2974e+00 2.3389e-01 7.6611e-01 9.0147e-01 9.8526e-02 2.9555e-04 2.4523e-03 6.4269e-04 2.1051e-03 + 3.1300e-03 -8.2974e+00 2.3304e-01 7.6696e-01 9.0147e-01 9.8526e-02 2.9388e-04 2.4639e-03 6.4269e-04 2.1151e-03 + 3.1400e-03 -8.2974e+00 2.3220e-01 7.6780e-01 9.0147e-01 9.8526e-02 2.9222e-04 2.4756e-03 6.4269e-04 2.1251e-03 + 3.1500e-03 -8.2974e+00 2.3136e-01 7.6864e-01 9.0147e-01 9.8526e-02 2.9055e-04 2.4873e-03 6.4269e-04 2.1351e-03 + 3.1600e-03 -8.2974e+00 2.3053e-01 7.6947e-01 9.0147e-01 9.8526e-02 2.8888e-04 2.4989e-03 6.4269e-04 2.1451e-03 + 3.1700e-03 -8.2974e+00 2.2971e-01 7.7029e-01 9.0147e-01 9.8526e-02 2.8722e-04 2.5106e-03 6.4269e-04 2.1551e-03 + 3.1800e-03 -8.2974e+00 2.2889e-01 7.7111e-01 9.0147e-01 9.8526e-02 2.8555e-04 2.5223e-03 6.4269e-04 2.1651e-03 + 3.1900e-03 -8.2974e+00 2.2808e-01 7.7192e-01 9.0147e-01 9.8526e-02 2.8389e-04 2.5339e-03 6.4269e-04 2.1751e-03 + 3.2000e-03 -8.2974e+00 2.2727e-01 7.7273e-01 9.0147e-01 9.8526e-02 2.8222e-04 2.5456e-03 6.4269e-04 2.1851e-03 + 3.2100e-03 -8.2974e+00 2.2647e-01 7.7353e-01 9.0147e-01 9.8526e-02 2.8055e-04 2.5573e-03 6.4269e-04 2.1951e-03 + 3.2200e-03 -8.2974e+00 2.2568e-01 7.7432e-01 9.0147e-01 9.8526e-02 2.7889e-04 2.5689e-03 6.4269e-04 2.2051e-03 + 3.2300e-03 -8.2974e+00 2.2489e-01 7.7511e-01 9.0147e-01 9.8526e-02 2.7722e-04 2.5806e-03 6.4269e-04 2.2151e-03 + 3.2400e-03 -8.2974e+00 2.2410e-01 7.7590e-01 9.0147e-01 9.8526e-02 2.7555e-04 2.5922e-03 6.4269e-04 2.2251e-03 + 3.2500e-03 -8.2974e+00 2.2333e-01 7.7667e-01 9.0147e-01 9.8526e-02 2.7389e-04 2.6039e-03 6.4269e-04 2.2351e-03 + 3.2600e-03 -8.2974e+00 2.2255e-01 7.7745e-01 9.0147e-01 9.8526e-02 2.7222e-04 2.6156e-03 6.4269e-04 2.2451e-03 + 3.2700e-03 -8.2974e+00 2.2178e-01 7.7822e-01 9.0147e-01 9.8526e-02 2.7056e-04 2.6272e-03 6.4269e-04 2.2551e-03 + 3.2800e-03 -8.2974e+00 2.2102e-01 7.7898e-01 9.0147e-01 9.8526e-02 2.6889e-04 2.6389e-03 6.4269e-04 2.2651e-03 + 3.2900e-03 -8.2974e+00 2.2026e-01 7.7974e-01 9.0147e-01 9.8526e-02 2.6722e-04 2.6506e-03 6.4269e-04 2.2751e-03 + 3.3000e-03 -8.2974e+00 2.1951e-01 7.8049e-01 9.0147e-01 9.8526e-02 2.6556e-04 2.6622e-03 6.4269e-04 2.2851e-03 + 3.3100e-03 -8.2974e+00 2.1876e-01 7.8124e-01 9.0147e-01 9.8526e-02 2.6389e-04 2.6739e-03 6.4269e-04 2.2951e-03 + 3.3200e-03 -8.2974e+00 2.1802e-01 7.8198e-01 9.0147e-01 9.8526e-02 2.6223e-04 2.6856e-03 6.4269e-04 2.3051e-03 + 3.3300e-03 -8.2974e+00 2.1728e-01 7.8272e-01 9.0147e-01 9.8526e-02 2.6056e-04 2.6972e-03 6.4269e-04 2.3151e-03 + 3.3400e-03 -8.2974e+00 2.1655e-01 7.8345e-01 9.0147e-01 9.8526e-02 2.5889e-04 2.7089e-03 6.4269e-04 2.3251e-03 + 3.3500e-03 -8.2974e+00 2.1583e-01 7.8417e-01 9.0147e-01 9.8526e-02 2.5723e-04 2.7206e-03 6.4269e-04 2.3351e-03 + 3.3600e-03 -8.2974e+00 2.1510e-01 7.8490e-01 9.0147e-01 9.8526e-02 2.5556e-04 2.7322e-03 6.4269e-04 2.3451e-03 + 3.3700e-03 -8.2974e+00 2.1439e-01 7.8561e-01 9.0147e-01 9.8526e-02 2.5389e-04 2.7439e-03 6.4269e-04 2.3551e-03 + 3.3800e-03 -8.2974e+00 2.1367e-01 7.8633e-01 9.0147e-01 9.8526e-02 2.5223e-04 2.7556e-03 6.4269e-04 2.3651e-03 + 3.3900e-03 -8.2974e+00 2.1296e-01 7.8704e-01 9.0147e-01 9.8526e-02 2.5056e-04 2.7672e-03 6.4269e-04 2.3751e-03 + 3.4000e-03 -8.2974e+00 2.1226e-01 7.8774e-01 9.0147e-01 9.8526e-02 2.4890e-04 2.7789e-03 6.4269e-04 2.3851e-03 + 3.4100e-03 -8.2974e+00 2.1156e-01 7.8844e-01 9.0147e-01 9.8526e-02 2.4723e-04 2.7906e-03 6.4269e-04 2.3951e-03 + 3.4200e-03 -8.2974e+00 2.1087e-01 7.8913e-01 9.0147e-01 9.8526e-02 2.4556e-04 2.8022e-03 6.4269e-04 2.4051e-03 + 3.4300e-03 -8.2974e+00 2.1018e-01 7.8982e-01 9.0147e-01 9.8526e-02 2.4390e-04 2.8139e-03 6.4269e-04 2.4151e-03 + 3.4400e-03 -8.2974e+00 2.0949e-01 7.9051e-01 9.0147e-01 9.8526e-02 2.4223e-04 2.8256e-03 6.4269e-04 2.4251e-03 + 3.4500e-03 -8.2974e+00 2.0881e-01 7.9119e-01 9.0147e-01 9.8526e-02 2.4056e-04 2.8372e-03 6.4269e-04 2.4351e-03 + 3.4600e-03 -8.2974e+00 2.0814e-01 7.9186e-01 9.0147e-01 9.8526e-02 2.3890e-04 2.8489e-03 6.4269e-04 2.4451e-03 + 3.4700e-03 -8.2974e+00 2.0746e-01 7.9254e-01 9.0147e-01 9.8526e-02 2.3723e-04 2.8606e-03 6.4269e-04 2.4551e-03 + 3.4800e-03 -8.2974e+00 2.0680e-01 7.9320e-01 9.0147e-01 9.8526e-02 2.3557e-04 2.8722e-03 6.4269e-04 2.4651e-03 + 3.4900e-03 -8.2974e+00 2.0613e-01 7.9387e-01 9.0147e-01 9.8526e-02 2.3390e-04 2.8839e-03 6.4269e-04 2.4751e-03 + 3.5000e-03 -8.2974e+00 2.0548e-01 7.9452e-01 9.0147e-01 9.8526e-02 2.3223e-04 2.8956e-03 6.4269e-04 2.4851e-03 + 3.5100e-03 -8.2974e+00 2.0482e-01 7.9518e-01 9.0147e-01 9.8526e-02 2.3057e-04 2.9072e-03 6.4269e-04 2.4951e-03 + 3.5200e-03 -8.2974e+00 2.0417e-01 7.9583e-01 9.0147e-01 9.8526e-02 2.2890e-04 2.9189e-03 6.4269e-04 2.5051e-03 + 3.5300e-03 -8.2974e+00 2.0352e-01 7.9648e-01 9.0147e-01 9.8526e-02 2.2723e-04 2.9306e-03 6.4269e-04 2.5151e-03 + 3.5400e-03 -8.2974e+00 2.0288e-01 7.9712e-01 9.0147e-01 9.8526e-02 2.2557e-04 2.9422e-03 6.4269e-04 2.5251e-03 + 3.5500e-03 -8.2974e+00 2.0224e-01 7.9776e-01 9.0147e-01 9.8526e-02 2.2390e-04 2.9539e-03 6.4269e-04 2.5351e-03 + 3.5600e-03 -8.2974e+00 2.0161e-01 7.9839e-01 9.0147e-01 9.8526e-02 2.2224e-04 2.9656e-03 6.4269e-04 2.5451e-03 + 3.5700e-03 -8.2974e+00 2.0098e-01 7.9902e-01 9.0147e-01 9.8526e-02 2.2057e-04 2.9772e-03 6.4269e-04 2.5551e-03 + 3.5800e-03 -8.2974e+00 2.0035e-01 7.9965e-01 9.0147e-01 9.8526e-02 2.1890e-04 2.9889e-03 6.4269e-04 2.5651e-03 + 3.5900e-03 -8.2974e+00 1.9973e-01 8.0027e-01 9.0147e-01 9.8526e-02 2.1724e-04 3.0006e-03 6.4269e-04 2.5751e-03 + 3.6000e-03 -8.2974e+00 1.9911e-01 8.0089e-01 9.0147e-01 9.8526e-02 2.1557e-04 3.0122e-03 6.4269e-04 2.5851e-03 + 3.6100e-03 -8.2974e+00 1.9849e-01 8.0151e-01 9.0147e-01 9.8526e-02 2.1391e-04 3.0239e-03 6.4269e-04 2.5951e-03 + 3.6200e-03 -8.2974e+00 1.9788e-01 8.0212e-01 9.0147e-01 9.8526e-02 2.1224e-04 3.0356e-03 6.4269e-04 2.6051e-03 + 3.6300e-03 -8.2974e+00 1.9728e-01 8.0272e-01 9.0147e-01 9.8526e-02 2.1057e-04 3.0472e-03 6.4269e-04 2.6151e-03 + 3.6400e-03 -8.2974e+00 1.9667e-01 8.0333e-01 9.0147e-01 9.8526e-02 2.0891e-04 3.0589e-03 6.4269e-04 2.6251e-03 + 3.6500e-03 -8.2974e+00 1.9607e-01 8.0393e-01 9.0147e-01 9.8526e-02 2.0724e-04 3.0706e-03 6.4269e-04 2.6351e-03 + 3.6600e-03 -8.2974e+00 1.9548e-01 8.0452e-01 9.0147e-01 9.8526e-02 2.0557e-04 3.0822e-03 6.4269e-04 2.6451e-03 + 3.6700e-03 -8.2974e+00 1.9488e-01 8.0512e-01 9.0147e-01 9.8526e-02 2.0391e-04 3.0939e-03 6.4269e-04 2.6551e-03 + 3.6800e-03 -8.2974e+00 1.9429e-01 8.0571e-01 9.0147e-01 9.8526e-02 2.0224e-04 3.1056e-03 6.4269e-04 2.6651e-03 + 3.6900e-03 -8.2974e+00 1.9371e-01 8.0629e-01 9.0147e-01 9.8526e-02 2.0058e-04 3.1172e-03 6.4269e-04 2.6751e-03 + 3.7000e-03 -8.2974e+00 1.9313e-01 8.0687e-01 9.0147e-01 9.8526e-02 1.9891e-04 3.1289e-03 6.4269e-04 2.6851e-03 + 3.7100e-03 -8.2974e+00 1.9255e-01 8.0745e-01 9.0147e-01 9.8526e-02 1.9724e-04 3.1406e-03 6.4269e-04 2.6951e-03 + 3.7200e-03 -8.2974e+00 1.9197e-01 8.0803e-01 9.0147e-01 9.8526e-02 1.9558e-04 3.1522e-03 6.4269e-04 2.7051e-03 + 3.7300e-03 -8.2974e+00 1.9140e-01 8.0860e-01 9.0147e-01 9.8526e-02 1.9391e-04 3.1639e-03 6.4269e-04 2.7151e-03 + 3.7400e-03 -8.2974e+00 1.9083e-01 8.0917e-01 9.0147e-01 9.8526e-02 1.9224e-04 3.1756e-03 6.4269e-04 2.7251e-03 + 3.7500e-03 -8.2974e+00 1.9027e-01 8.0973e-01 9.0147e-01 9.8526e-02 1.9058e-04 3.1872e-03 6.4269e-04 2.7351e-03 + 3.7600e-03 -8.2974e+00 1.8971e-01 8.1029e-01 9.0147e-01 9.8526e-02 1.8891e-04 3.1989e-03 6.4269e-04 2.7451e-03 + 3.7700e-03 -8.2974e+00 1.8915e-01 8.1085e-01 9.0147e-01 9.8526e-02 1.8725e-04 3.2106e-03 6.4269e-04 2.7551e-03 + 3.7800e-03 -8.2974e+00 1.8859e-01 8.1141e-01 9.0147e-01 9.8526e-02 1.8558e-04 3.2222e-03 6.4269e-04 2.7651e-03 + 3.7900e-03 -8.2974e+00 1.8804e-01 8.1196e-01 9.0147e-01 9.8526e-02 1.8391e-04 3.2339e-03 6.4269e-04 2.7751e-03 + 3.8000e-03 -8.2974e+00 1.8749e-01 8.1251e-01 9.0147e-01 9.8526e-02 1.8225e-04 3.2456e-03 6.4269e-04 2.7851e-03 + 3.8100e-03 -8.2974e+00 1.8695e-01 8.1305e-01 9.0147e-01 9.8526e-02 1.8058e-04 3.2572e-03 6.4269e-04 2.7951e-03 + 3.8200e-03 -8.2974e+00 1.8640e-01 8.1360e-01 9.0147e-01 9.8526e-02 1.7891e-04 3.2689e-03 6.4269e-04 2.8051e-03 + 3.8300e-03 -8.2974e+00 1.8587e-01 8.1413e-01 9.0147e-01 9.8526e-02 1.7725e-04 3.2806e-03 6.4269e-04 2.8151e-03 + 3.8400e-03 -8.2974e+00 1.8533e-01 8.1467e-01 9.0147e-01 9.8526e-02 1.7558e-04 3.2922e-03 6.4269e-04 2.8251e-03 + 3.8500e-03 -8.2974e+00 1.8480e-01 8.1520e-01 9.0147e-01 9.8526e-02 1.7392e-04 3.3039e-03 6.4269e-04 2.8351e-03 + 3.8600e-03 -8.2974e+00 1.8427e-01 8.1573e-01 9.0147e-01 9.8526e-02 1.7225e-04 3.3156e-03 6.4269e-04 2.8451e-03 + 3.8700e-03 -8.2974e+00 1.8374e-01 8.1626e-01 9.0147e-01 9.8526e-02 1.7058e-04 3.3272e-03 6.4269e-04 2.8551e-03 + 3.8800e-03 -8.2974e+00 1.8322e-01 8.1678e-01 9.0147e-01 9.8526e-02 1.6892e-04 3.3389e-03 6.4269e-04 2.8651e-03 + 3.8900e-03 -8.2974e+00 1.8270e-01 8.1730e-01 9.0147e-01 9.8526e-02 1.6725e-04 3.3506e-03 6.4269e-04 2.8751e-03 + 3.9000e-03 -8.2974e+00 1.8218e-01 8.1782e-01 9.0147e-01 9.8526e-02 1.6559e-04 3.3622e-03 6.4269e-04 2.8851e-03 + 3.9100e-03 -8.2974e+00 1.8166e-01 8.1834e-01 9.0147e-01 9.8526e-02 1.6392e-04 3.3739e-03 6.4269e-04 2.8951e-03 + 3.9200e-03 -8.2974e+00 1.8115e-01 8.1885e-01 9.0147e-01 9.8526e-02 1.6225e-04 3.3856e-03 6.4269e-04 2.9051e-03 + 3.9300e-03 -8.2974e+00 1.8064e-01 8.1936e-01 9.0147e-01 9.8526e-02 1.6059e-04 3.3972e-03 6.4269e-04 2.9151e-03 + 3.9400e-03 -8.2974e+00 1.8013e-01 8.1987e-01 9.0147e-01 9.8526e-02 1.5892e-04 3.4089e-03 6.4269e-04 2.9251e-03 + 3.9500e-03 -8.2974e+00 1.7963e-01 8.2037e-01 9.0147e-01 9.8526e-02 1.5725e-04 3.4205e-03 6.4269e-04 2.9351e-03 + 3.9600e-03 -8.2974e+00 1.7913e-01 8.2087e-01 9.0147e-01 9.8526e-02 1.5559e-04 3.4322e-03 6.4269e-04 2.9451e-03 + 3.9700e-03 -8.2974e+00 1.7863e-01 8.2137e-01 9.0147e-01 9.8526e-02 1.5392e-04 3.4439e-03 6.4269e-04 2.9551e-03 + 3.9800e-03 -8.2974e+00 1.7814e-01 8.2186e-01 9.0147e-01 9.8526e-02 1.5226e-04 3.4555e-03 6.4269e-04 2.9651e-03 + 3.9900e-03 -8.2974e+00 1.7765e-01 8.2235e-01 9.0147e-01 9.8526e-02 1.5059e-04 3.4672e-03 6.4269e-04 2.9751e-03 + 4.0000e-03 -8.2974e+00 1.7716e-01 8.2284e-01 9.0147e-01 9.8526e-02 1.4892e-04 3.4789e-03 6.4269e-04 2.9851e-03 + 4.0100e-03 -8.2974e+00 1.7667e-01 8.2333e-01 9.0147e-01 9.8526e-02 1.4726e-04 3.4905e-03 6.4269e-04 2.9951e-03 + 4.0200e-03 -8.2974e+00 1.7618e-01 8.2382e-01 9.0147e-01 9.8526e-02 1.4559e-04 3.5022e-03 6.4269e-04 3.0051e-03 + 4.0300e-03 -8.2974e+00 1.7570e-01 8.2430e-01 9.0147e-01 9.8526e-02 1.4392e-04 3.5139e-03 6.4269e-04 3.0151e-03 + 4.0400e-03 -8.2974e+00 1.7522e-01 8.2478e-01 9.0147e-01 9.8526e-02 1.4226e-04 3.5255e-03 6.4269e-04 3.0251e-03 + 4.0500e-03 -8.2974e+00 1.7475e-01 8.2525e-01 9.0147e-01 9.8526e-02 1.4059e-04 3.5372e-03 6.4269e-04 3.0351e-03 + 4.0600e-03 -8.2974e+00 1.7427e-01 8.2573e-01 9.0147e-01 9.8526e-02 1.3893e-04 3.5489e-03 6.4269e-04 3.0451e-03 + 4.0700e-03 -8.2974e+00 1.7380e-01 8.2620e-01 9.0147e-01 9.8526e-02 1.3726e-04 3.5605e-03 6.4269e-04 3.0551e-03 + 4.0800e-03 -8.2974e+00 1.7333e-01 8.2667e-01 9.0147e-01 9.8526e-02 1.3559e-04 3.5722e-03 6.4269e-04 3.0651e-03 + 4.0900e-03 -8.2974e+00 1.7287e-01 8.2713e-01 9.0147e-01 9.8526e-02 1.3393e-04 3.5839e-03 6.4269e-04 3.0751e-03 + 4.1000e-03 -8.2974e+00 1.7240e-01 8.2760e-01 9.0147e-01 9.8526e-02 1.3226e-04 3.5955e-03 6.4269e-04 3.0851e-03 + 4.1100e-03 -8.2974e+00 1.7194e-01 8.2806e-01 9.0147e-01 9.8526e-02 1.3060e-04 3.6072e-03 6.4269e-04 3.0951e-03 + 4.1200e-03 -8.2974e+00 1.7148e-01 8.2852e-01 9.0147e-01 9.8526e-02 1.2893e-04 3.6189e-03 6.4269e-04 3.1051e-03 + 4.1300e-03 -8.2974e+00 1.7103e-01 8.2897e-01 9.0147e-01 9.8526e-02 1.2726e-04 3.6305e-03 6.4269e-04 3.1151e-03 + 4.1400e-03 -8.2974e+00 1.7057e-01 8.2943e-01 9.0147e-01 9.8526e-02 1.2560e-04 3.6422e-03 6.4269e-04 3.1251e-03 + 4.1500e-03 -8.2974e+00 1.7012e-01 8.2988e-01 9.0147e-01 9.8526e-02 1.2393e-04 3.6539e-03 6.4269e-04 3.1351e-03 + 4.1600e-03 -8.2974e+00 1.6967e-01 8.3033e-01 9.0147e-01 9.8526e-02 1.2226e-04 3.6655e-03 6.4269e-04 3.1451e-03 + 4.1700e-03 -8.2974e+00 1.6923e-01 8.3077e-01 9.0147e-01 9.8526e-02 1.2060e-04 3.6772e-03 6.4269e-04 3.1551e-03 + 4.1800e-03 -8.2974e+00 1.6878e-01 8.3122e-01 9.0147e-01 9.8526e-02 1.1893e-04 3.6889e-03 6.4269e-04 3.1651e-03 + 4.1900e-03 -8.2974e+00 1.6834e-01 8.3166e-01 9.0147e-01 9.8526e-02 1.1727e-04 3.7005e-03 6.4269e-04 3.1751e-03 + 4.2000e-03 -8.2974e+00 1.6790e-01 8.3210e-01 9.0147e-01 9.8526e-02 1.1560e-04 3.7122e-03 6.4269e-04 3.1851e-03 + 4.2100e-03 -8.2974e+00 1.6746e-01 8.3254e-01 9.0147e-01 9.8526e-02 1.1393e-04 3.7239e-03 6.4269e-04 3.1951e-03 + 4.2200e-03 -8.2974e+00 1.6703e-01 8.3297e-01 9.0147e-01 9.8526e-02 1.1227e-04 3.7355e-03 6.4269e-04 3.2051e-03 + 4.2300e-03 -8.2974e+00 1.6659e-01 8.3341e-01 9.0147e-01 9.8526e-02 1.1060e-04 3.7472e-03 6.4269e-04 3.2151e-03 + 4.2400e-03 -8.2974e+00 1.6616e-01 8.3384e-01 9.0147e-01 9.8526e-02 1.0893e-04 3.7589e-03 6.4269e-04 3.2251e-03 + 4.2500e-03 -8.2974e+00 1.6573e-01 8.3427e-01 9.0147e-01 9.8526e-02 1.0727e-04 3.7705e-03 6.4269e-04 3.2351e-03 + 4.2600e-03 -8.2974e+00 1.6531e-01 8.3469e-01 9.0147e-01 9.8526e-02 1.0560e-04 3.7822e-03 6.4269e-04 3.2451e-03 + 4.2700e-03 -8.2974e+00 1.6488e-01 8.3512e-01 9.0147e-01 9.8526e-02 1.0394e-04 3.7939e-03 6.4269e-04 3.2551e-03 + 4.2800e-03 -8.2974e+00 1.6446e-01 8.3554e-01 9.0147e-01 9.8526e-02 1.0227e-04 3.8055e-03 6.4269e-04 3.2651e-03 + 4.2900e-03 -8.2974e+00 1.6404e-01 8.3596e-01 9.0147e-01 9.8526e-02 1.0060e-04 3.8172e-03 6.4269e-04 3.2751e-03 + 4.3000e-03 -8.2974e+00 1.6362e-01 8.3638e-01 9.0147e-01 9.8526e-02 9.8937e-05 3.8289e-03 6.4269e-04 3.2851e-03 + 4.3100e-03 -8.2974e+00 1.6321e-01 8.3679e-01 9.0147e-01 9.8526e-02 9.7271e-05 3.8405e-03 6.4269e-04 3.2951e-03 + 4.3200e-03 -8.2974e+00 1.6280e-01 8.3720e-01 9.0147e-01 9.8526e-02 9.5605e-05 3.8522e-03 6.4269e-04 3.3051e-03 + 4.3300e-03 -8.2974e+00 1.6238e-01 8.3762e-01 9.0147e-01 9.8526e-02 9.3939e-05 3.8639e-03 6.4269e-04 3.3151e-03 + 4.3400e-03 -8.2974e+00 1.6198e-01 8.3802e-01 9.0147e-01 9.8526e-02 9.2272e-05 3.8755e-03 6.4269e-04 3.3251e-03 + 4.3500e-03 -8.2974e+00 1.6157e-01 8.3843e-01 9.0147e-01 9.8526e-02 9.0606e-05 3.8872e-03 6.4269e-04 3.3351e-03 + 4.3600e-03 -8.2974e+00 1.6116e-01 8.3884e-01 9.0147e-01 9.8526e-02 8.8940e-05 3.8989e-03 6.4269e-04 3.3451e-03 + 4.3700e-03 -8.2974e+00 1.6076e-01 8.3924e-01 9.0147e-01 9.8526e-02 8.7274e-05 3.9105e-03 6.4269e-04 3.3551e-03 + 4.3800e-03 -8.2974e+00 1.6036e-01 8.3964e-01 9.0147e-01 9.8526e-02 8.5608e-05 3.9222e-03 6.4269e-04 3.3651e-03 + 4.3900e-03 -8.2974e+00 1.5996e-01 8.4004e-01 9.0147e-01 9.8526e-02 8.3941e-05 3.9339e-03 6.4269e-04 3.3751e-03 + 4.4000e-03 -8.2974e+00 1.5956e-01 8.4044e-01 9.0147e-01 9.8526e-02 8.2275e-05 3.9455e-03 6.4269e-04 3.3851e-03 + 4.4100e-03 -8.2974e+00 1.5917e-01 8.4083e-01 9.0147e-01 9.8526e-02 8.0609e-05 3.9572e-03 6.4269e-04 3.3951e-03 + 4.4200e-03 -8.2974e+00 1.5877e-01 8.4123e-01 9.0147e-01 9.8526e-02 7.8943e-05 3.9689e-03 6.4269e-04 3.4051e-03 + 4.4300e-03 -8.2974e+00 1.5838e-01 8.4162e-01 9.0147e-01 9.8526e-02 7.7277e-05 3.9805e-03 6.4269e-04 3.4151e-03 + 4.4400e-03 -8.2974e+00 1.5799e-01 8.4201e-01 9.0147e-01 9.8526e-02 7.5610e-05 3.9922e-03 6.4269e-04 3.4251e-03 + 4.4500e-03 -8.2974e+00 1.5761e-01 8.4239e-01 9.0147e-01 9.8526e-02 7.3944e-05 4.0039e-03 6.4269e-04 3.4351e-03 + 4.4600e-03 -8.2974e+00 1.5722e-01 8.4278e-01 9.0147e-01 9.8526e-02 7.2278e-05 4.0155e-03 6.4269e-04 3.4451e-03 + 4.4700e-03 -8.2974e+00 1.5684e-01 8.4316e-01 9.0147e-01 9.8526e-02 7.0612e-05 4.0272e-03 6.4269e-04 3.4551e-03 + 4.4800e-03 -8.2974e+00 1.5645e-01 8.4355e-01 9.0147e-01 9.8526e-02 6.8946e-05 4.0389e-03 6.4269e-04 3.4651e-03 + 4.4900e-03 -8.2974e+00 1.5607e-01 8.4393e-01 9.0147e-01 9.8526e-02 6.7279e-05 4.0505e-03 6.4269e-04 3.4751e-03 + 4.5000e-03 -8.2974e+00 1.5570e-01 8.4430e-01 9.0147e-01 9.8526e-02 6.5613e-05 4.0622e-03 6.4269e-04 3.4851e-03 + 4.5100e-03 -8.2974e+00 1.5532e-01 8.4468e-01 9.0147e-01 9.8526e-02 6.3947e-05 4.0739e-03 6.4269e-04 3.4951e-03 + 4.5200e-03 -8.2974e+00 1.5495e-01 8.4505e-01 9.0147e-01 9.8526e-02 6.2281e-05 4.0855e-03 6.4269e-04 3.5051e-03 + 4.5300e-03 -8.2974e+00 1.5457e-01 8.4543e-01 9.0147e-01 9.8526e-02 6.0615e-05 4.0972e-03 6.4269e-04 3.5151e-03 + 4.5400e-03 -8.2974e+00 1.5420e-01 8.4580e-01 9.0147e-01 9.8526e-02 5.8948e-05 4.1089e-03 6.4269e-04 3.5251e-03 + 4.5500e-03 -8.2974e+00 1.5383e-01 8.4617e-01 9.0147e-01 9.8526e-02 5.7282e-05 4.1205e-03 6.4269e-04 3.5351e-03 + 4.5600e-03 -8.2974e+00 1.5347e-01 8.4653e-01 9.0147e-01 9.8526e-02 5.5616e-05 4.1322e-03 6.4269e-04 3.5451e-03 + 4.5700e-03 -8.2974e+00 1.5310e-01 8.4690e-01 9.0147e-01 9.8526e-02 5.3950e-05 4.1439e-03 6.4269e-04 3.5551e-03 + 4.5800e-03 -8.2974e+00 1.5274e-01 8.4726e-01 9.0147e-01 9.8526e-02 5.2284e-05 4.1555e-03 6.4269e-04 3.5651e-03 + 4.5900e-03 -8.2974e+00 1.5237e-01 8.4763e-01 9.0147e-01 9.8526e-02 5.0617e-05 4.1672e-03 6.4269e-04 3.5751e-03 + 4.6000e-03 -8.2974e+00 1.5201e-01 8.4799e-01 9.0147e-01 9.8526e-02 4.8951e-05 4.1789e-03 6.4269e-04 3.5851e-03 + 4.6100e-03 -8.2974e+00 1.5166e-01 8.4834e-01 9.0147e-01 9.8526e-02 4.7285e-05 4.1905e-03 6.4269e-04 3.5951e-03 + 4.6200e-03 -8.2974e+00 1.5130e-01 8.4870e-01 9.0147e-01 9.8526e-02 4.5619e-05 4.2022e-03 6.4269e-04 3.6051e-03 + 4.6300e-03 -8.2974e+00 1.5094e-01 8.4906e-01 9.0147e-01 9.8526e-02 4.3953e-05 4.2139e-03 6.4269e-04 3.6151e-03 + 4.6400e-03 -8.2974e+00 1.5059e-01 8.4941e-01 9.0147e-01 9.8526e-02 4.2286e-05 4.2255e-03 6.4269e-04 3.6251e-03 + 4.6500e-03 -8.2974e+00 1.5024e-01 8.4976e-01 9.0147e-01 9.8526e-02 4.0620e-05 4.2372e-03 6.4269e-04 3.6351e-03 + 4.6600e-03 -8.2974e+00 1.4989e-01 8.5011e-01 9.0147e-01 9.8526e-02 3.8954e-05 4.2488e-03 6.4269e-04 3.6451e-03 + 4.6700e-03 -8.2974e+00 1.4954e-01 8.5046e-01 9.0147e-01 9.8526e-02 3.7288e-05 4.2605e-03 6.4269e-04 3.6551e-03 + 4.6800e-03 -8.2974e+00 1.4919e-01 8.5081e-01 9.0147e-01 9.8526e-02 3.5622e-05 4.2722e-03 6.4269e-04 3.6651e-03 + 4.6900e-03 -8.2974e+00 1.4885e-01 8.5115e-01 9.0147e-01 9.8526e-02 3.3955e-05 4.2838e-03 6.4269e-04 3.6751e-03 + 4.7000e-03 -8.2974e+00 1.4850e-01 8.5150e-01 9.0147e-01 9.8526e-02 3.2289e-05 4.2955e-03 6.4269e-04 3.6851e-03 + 4.7100e-03 -8.2974e+00 1.4816e-01 8.5184e-01 9.0147e-01 9.8526e-02 3.0623e-05 4.3072e-03 6.4269e-04 3.6951e-03 + 4.7200e-03 -8.2974e+00 1.4782e-01 8.5218e-01 9.0147e-01 9.8526e-02 2.8957e-05 4.3188e-03 6.4269e-04 3.7051e-03 + 4.7300e-03 -8.2974e+00 1.4748e-01 8.5252e-01 9.0147e-01 9.8526e-02 2.7291e-05 4.3305e-03 6.4269e-04 3.7151e-03 + 4.7400e-03 -8.2974e+00 1.4714e-01 8.5286e-01 9.0147e-01 9.8526e-02 2.5624e-05 4.3422e-03 6.4269e-04 3.7251e-03 + 4.7500e-03 -8.2974e+00 1.4681e-01 8.5319e-01 9.0147e-01 9.8526e-02 2.3958e-05 4.3538e-03 6.4269e-04 3.7351e-03 + 4.7600e-03 -8.2974e+00 1.4647e-01 8.5353e-01 9.0147e-01 9.8526e-02 2.2292e-05 4.3655e-03 6.4269e-04 3.7451e-03 + 4.7700e-03 -8.2974e+00 1.4614e-01 8.5386e-01 9.0147e-01 9.8526e-02 2.0626e-05 4.3772e-03 6.4269e-04 3.7551e-03 + 4.7800e-03 -8.2974e+00 1.4581e-01 8.5419e-01 9.0147e-01 9.8526e-02 1.8960e-05 4.3888e-03 6.4269e-04 3.7651e-03 + 4.7900e-03 -8.2974e+00 1.4548e-01 8.5452e-01 9.0147e-01 9.8526e-02 1.7293e-05 4.4005e-03 6.4269e-04 3.7751e-03 + 4.8000e-03 -8.2974e+00 1.4515e-01 8.5485e-01 9.0147e-01 9.8526e-02 1.5627e-05 4.4122e-03 6.4269e-04 3.7851e-03 + 4.8100e-03 -8.2974e+00 1.4482e-01 8.5518e-01 9.0147e-01 9.8526e-02 1.3961e-05 4.4238e-03 6.4269e-04 3.7951e-03 + 4.8200e-03 -8.2974e+00 1.4450e-01 8.5550e-01 9.0147e-01 9.8526e-02 1.2295e-05 4.4355e-03 6.4269e-04 3.8051e-03 + 4.8300e-03 -8.2974e+00 1.4417e-01 8.5583e-01 9.0147e-01 9.8526e-02 1.0629e-05 4.4472e-03 6.4269e-04 3.8151e-03 + 4.8400e-03 -8.2974e+00 1.4385e-01 8.5615e-01 9.0147e-01 9.8526e-02 8.9624e-06 4.4588e-03 6.4269e-04 3.8251e-03 + 4.8500e-03 -8.2974e+00 1.4353e-01 8.5647e-01 9.0147e-01 9.8526e-02 7.2962e-06 4.4705e-03 6.4269e-04 3.8351e-03 + 4.8600e-03 -8.2974e+00 1.4321e-01 8.5679e-01 9.0147e-01 9.8526e-02 5.6300e-06 4.4822e-03 6.4269e-04 3.8451e-03 + 4.8700e-03 -8.2974e+00 1.4289e-01 8.5711e-01 9.0147e-01 9.8526e-02 3.9638e-06 4.4938e-03 6.4269e-04 3.8551e-03 + 4.8800e-03 -8.2974e+00 1.4257e-01 8.5743e-01 9.0147e-01 9.8526e-02 2.2976e-06 4.5055e-03 6.4269e-04 3.8651e-03 + 4.8900e-03 -8.2974e+00 1.4226e-01 8.5774e-01 9.0147e-01 9.8526e-02 6.3139e-07 4.5172e-03 6.4269e-04 3.8751e-03 + 4.9000e-03 -8.2974e+00 1.4211e-01 8.5789e-01 9.0145e-01 9.8548e-02 1.0000e-10 1.0000e-10 6.4354e-04 3.8850e-03 + 4.9100e-03 -8.2976e+00 1.4206e-01 8.5794e-01 9.0142e-01 9.8584e-02 1.0000e-10 1.0000e-10 6.4491e-04 3.8947e-03 + 4.9200e-03 -8.2977e+00 1.4202e-01 8.5798e-01 9.0138e-01 9.8620e-02 1.0000e-10 1.0000e-10 6.4629e-04 3.9044e-03 + 4.9300e-03 -8.2979e+00 1.4197e-01 8.5803e-01 9.0134e-01 9.8656e-02 1.0000e-10 1.0000e-10 6.4766e-04 3.9142e-03 + 4.9400e-03 -8.2980e+00 1.4193e-01 8.5807e-01 9.0131e-01 9.8692e-02 1.0000e-10 1.0000e-10 6.4903e-04 3.9239e-03 + 4.9500e-03 -8.2981e+00 1.4188e-01 8.5812e-01 9.0127e-01 9.8728e-02 1.0000e-10 1.0000e-10 6.5040e-04 3.9336e-03 + 4.9600e-03 -8.2983e+00 1.4184e-01 8.5816e-01 9.0124e-01 9.8764e-02 1.0000e-10 1.0000e-10 6.5177e-04 3.9434e-03 + 4.9700e-03 -8.2984e+00 1.4179e-01 8.5821e-01 9.0120e-01 9.8800e-02 1.0000e-10 1.0000e-10 6.5314e-04 3.9531e-03 + 4.9800e-03 -8.2985e+00 1.4175e-01 8.5825e-01 9.0116e-01 9.8836e-02 1.0000e-10 1.0000e-10 6.5450e-04 3.9629e-03 + 4.9900e-03 -8.2987e+00 1.4170e-01 8.5830e-01 9.0113e-01 9.8872e-02 1.0000e-10 1.0000e-10 6.5587e-04 3.9726e-03 + 5.0000e-03 -8.2988e+00 1.4166e-01 8.5834e-01 9.0109e-01 9.8908e-02 1.0000e-10 1.0000e-10 6.5724e-04 3.9823e-03 + 5.0000e-03 -8.2988e+00 1.4166e-01 8.5834e-01 9.0109e-01 9.8908e-02 1.0000e-10 1.0000e-10 6.5724e-04 3.9823e-03 + 1.0000e-02 -8.3590e+00 1.2345e-01 8.7655e-01 8.8423e-01 1.1577e-01 1.0000e-10 1.0000e-10 1.2483e-03 8.8635e-03 + 1.5000e-02 -8.4069e+00 1.1064e-01 8.8936e-01 8.6904e-01 1.3096e-01 1.0000e-10 1.0000e-10 1.7120e-03 1.3762e-02 + 2.0000e-02 -8.4471e+00 1.0088e-01 8.9912e-01 8.5501e-01 1.4499e-01 1.0000e-10 1.0000e-10 2.0950e-03 1.8672e-02 + 2.5000e-02 -8.4816e+00 9.3095e-02 9.0690e-01 8.4188e-01 1.5812e-01 1.0000e-10 1.0000e-10 2.4215e-03 2.3590e-02 + 3.0000e-02 -8.5119e+00 8.6674e-02 9.1333e-01 8.2947e-01 1.7053e-01 1.0000e-10 1.0000e-10 2.7061e-03 2.8515e-02 + 3.5000e-02 -8.5389e+00 8.1255e-02 9.1874e-01 8.1770e-01 1.8230e-01 1.0000e-10 1.0000e-10 2.9580e-03 3.3446e-02 + 4.0000e-02 -8.5632e+00 7.6600e-02 9.2340e-01 8.0646e-01 1.9354e-01 1.0000e-10 1.0000e-10 3.1839e-03 3.8381e-02 + 4.5000e-02 -8.5853e+00 7.2542e-02 9.2746e-01 7.9570e-01 2.0430e-01 1.0000e-10 1.0000e-10 3.3884e-03 4.3321e-02 + 5.0000e-02 -8.6055e+00 6.8965e-02 9.3104e-01 7.8538e-01 2.1462e-01 1.0000e-10 1.0000e-10 3.5750e-03 4.8264e-02 + 5.5000e-02 -8.6242e+00 6.5780e-02 9.3422e-01 7.7545e-01 2.2455e-01 1.0000e-10 1.0000e-10 3.7466e-03 5.3210e-02 + 6.0000e-02 -8.6414e+00 6.2922e-02 9.3708e-01 7.6587e-01 2.3413e-01 1.0000e-10 1.0000e-10 3.9052e-03 5.8159e-02 + 6.5000e-02 -8.6575e+00 6.0338e-02 9.3966e-01 7.5663e-01 2.4337e-01 1.0000e-10 1.0000e-10 4.0525e-03 6.3110e-02 + 7.0000e-02 -8.6725e+00 5.7989e-02 9.4201e-01 7.4769e-01 2.5231e-01 1.0000e-10 1.0000e-10 4.1899e-03 6.8063e-02 + 7.5000e-02 -8.6866e+00 5.5841e-02 9.4416e-01 7.3903e-01 2.6097e-01 1.0000e-10 1.0000e-10 4.3186e-03 7.3019e-02 + 8.0000e-02 -8.6998e+00 5.3868e-02 9.4613e-01 7.3065e-01 2.6935e-01 1.0000e-10 1.0000e-10 4.4395e-03 7.7976e-02 + 8.5000e-02 -8.7122e+00 5.2047e-02 9.4795e-01 7.2251e-01 2.7749e-01 1.0000e-10 1.0000e-10 4.5535e-03 8.2936e-02 + 9.0000e-02 -8.7240e+00 5.0361e-02 9.4964e-01 7.1460e-01 2.8540e-01 1.0000e-10 1.0000e-10 4.6613e-03 8.7896e-02 + 9.5000e-02 -8.7352e+00 4.8794e-02 9.5121e-01 7.0692e-01 2.9308e-01 1.0000e-10 1.0000e-10 4.7634e-03 9.2859e-02 + 1.0000e-01 -8.7458e+00 4.7333e-02 9.5267e-01 6.9945e-01 3.0055e-01 1.0000e-10 1.0000e-10 4.8603e-03 9.7822e-02 + 1.0000e-01 -8.7458e+00 4.7333e-02 9.5267e-01 6.9945e-01 3.0055e-01 1.0000e-10 1.0000e-10 4.8603e-03 9.7822e-02 + 2.0000e-01 -8.8865e+00 3.0238e-02 9.6976e-01 5.8188e-01 4.1812e-01 1.0000e-10 1.0000e-10 6.1516e-03 1.9729e-01 + 3.0000e-01 -8.9624e+00 2.2575e-02 9.7743e-01 5.0176e-01 4.9824e-01 1.0000e-10 1.0000e-10 6.8584e-03 2.9695e-01 + 4.0000e-01 -9.0114e+00 1.8122e-02 9.8188e-01 4.4247e-01 5.5753e-01 1.0000e-10 1.0000e-10 7.3222e-03 3.9672e-01 + 5.0000e-01 -9.0462e+00 1.5184e-02 9.8482e-01 3.9641e-01 6.0359e-01 1.0000e-10 1.0000e-10 7.6555e-03 4.9654e-01 + 6.0000e-01 -9.0724e+00 1.3087e-02 9.8691e-01 3.5942e-01 6.4058e-01 1.0000e-10 1.0000e-10 7.9088e-03 5.9640e-01 + 7.0000e-01 -9.0929e+00 1.1512e-02 9.8849e-01 3.2896e-01 6.7104e-01 1.0000e-10 1.0000e-10 8.1089e-03 6.9629e-01 + 8.0000e-01 -9.1094e+00 1.0282e-02 9.8972e-01 3.0340e-01 6.9660e-01 1.0000e-10 1.0000e-10 8.2714e-03 7.9620e-01 + 9.0000e-01 -9.1231e+00 9.2937e-03 9.9071e-01 2.8162e-01 7.1838e-01 1.0000e-10 1.0000e-10 8.4064e-03 8.9612e-01 + 1.0000e+00 -9.1345e+00 8.4817e-03 9.9152e-01 2.6282e-01 7.3718e-01 1.0000e-10 1.0000e-10 8.5204e-03 9.9605e-01 + 1.1000e+00 -9.1443e+00 7.8020e-03 9.9220e-01 2.4642e-01 7.5358e-01 1.0000e-10 1.0000e-10 8.6182e-03 1.0960e+00 + 1.2000e+00 -9.1528e+00 7.2245e-03 9.9278e-01 2.3197e-01 7.6803e-01 1.0000e-10 1.0000e-10 8.7029e-03 1.1959e+00 + 1.3000e+00 -9.1601e+00 6.7275e-03 9.9327e-01 2.1915e-01 7.8085e-01 1.0000e-10 1.0000e-10 8.7772e-03 1.2959e+00 + 1.4000e+00 -9.1666e+00 6.2951e-03 9.9370e-01 2.0769e-01 7.9231e-01 1.0000e-10 1.0000e-10 8.8428e-03 1.3959e+00 + 1.5000e+00 -9.1724e+00 5.9155e-03 9.9408e-01 1.9738e-01 8.0262e-01 1.0000e-10 1.0000e-10 8.9012e-03 1.4958e+00 + 1.6000e+00 -9.1775e+00 5.5795e-03 9.9442e-01 1.8805e-01 8.1195e-01 1.0000e-10 1.0000e-10 8.9536e-03 1.5958e+00 + 1.7000e+00 -9.1822e+00 5.2798e-03 9.9472e-01 1.7958e-01 8.2042e-01 1.0000e-10 1.0000e-10 9.0008e-03 1.6958e+00 + 1.8000e+00 -9.1864e+00 5.0109e-03 9.9499e-01 1.7184e-01 8.2816e-01 1.0000e-10 1.0000e-10 9.0436e-03 1.7957e+00 + 1.9000e+00 -9.1902e+00 4.7683e-03 9.9523e-01 1.6475e-01 8.3525e-01 1.0000e-10 1.0000e-10 9.0826e-03 1.8957e+00 + 2.0000e+00 -9.1937e+00 4.5482e-03 9.9545e-01 1.5822e-01 8.4178e-01 1.0000e-10 1.0000e-10 9.1183e-03 1.9957e+00 + 2.1000e+00 -9.1969e+00 4.3477e-03 9.9565e-01 1.5219e-01 8.4781e-01 1.0000e-10 1.0000e-10 9.1510e-03 2.0957e+00 + 2.2000e+00 -9.1998e+00 4.1641e-03 9.9584e-01 1.4661e-01 8.5339e-01 1.0000e-10 1.0000e-10 9.1812e-03 2.1957e+00 + 2.3000e+00 -9.2025e+00 3.9956e-03 9.9600e-01 1.4143e-01 8.5857e-01 1.0000e-10 1.0000e-10 9.2091e-03 2.2956e+00 + 2.4000e+00 -9.2050e+00 3.8402e-03 9.9616e-01 1.3660e-01 8.6340e-01 1.0000e-10 1.0000e-10 9.2350e-03 2.3956e+00 + 2.5000e+00 -9.2073e+00 3.6964e-03 9.9630e-01 1.3209e-01 8.6791e-01 1.0000e-10 1.0000e-10 9.2591e-03 2.4956e+00 + 2.6000e+00 -9.2095e+00 3.5631e-03 9.9644e-01 1.2787e-01 8.7213e-01 1.0000e-10 1.0000e-10 9.2815e-03 2.5956e+00 + 2.7000e+00 -9.2115e+00 3.4392e-03 9.9656e-01 1.2391e-01 8.7609e-01 1.0000e-10 1.0000e-10 9.3025e-03 2.6956e+00 + 2.8000e+00 -9.2134e+00 3.3235e-03 9.9668e-01 1.2020e-01 8.7980e-01 1.0000e-10 1.0000e-10 9.3222e-03 2.7956e+00 + 2.9000e+00 -9.2152e+00 3.2155e-03 9.9678e-01 1.1670e-01 8.8330e-01 1.0000e-10 1.0000e-10 9.3406e-03 2.8956e+00 + 3.0000e+00 -9.2169e+00 3.1142e-03 9.9689e-01 1.1339e-01 8.8661e-01 1.0000e-10 1.0000e-10 9.3580e-03 2.9955e+00 + 3.1000e+00 -9.2185e+00 3.0192e-03 9.9698e-01 1.1027e-01 8.8973e-01 1.0000e-10 1.0000e-10 9.3743e-03 3.0955e+00 + 3.2000e+00 -9.2199e+00 2.9298e-03 9.9707e-01 1.0732e-01 8.9268e-01 1.0000e-10 1.0000e-10 9.3898e-03 3.1955e+00 + 3.3000e+00 -9.2213e+00 2.8456e-03 9.9715e-01 1.0453e-01 8.9547e-01 1.0000e-10 1.0000e-10 9.4044e-03 3.2955e+00 + 3.4000e+00 -9.2227e+00 2.7661e-03 9.9723e-01 1.0187e-01 8.9813e-01 1.0000e-10 1.0000e-10 9.4182e-03 3.3955e+00 + 3.5000e+00 -9.2239e+00 2.6909e-03 9.9731e-01 9.9347e-02 9.0065e-01 1.0000e-10 1.0000e-10 9.4313e-03 3.4955e+00 + 3.6000e+00 -9.2251e+00 2.6197e-03 9.9738e-01 9.6947e-02 9.0305e-01 1.0000e-10 1.0000e-10 9.4438e-03 3.5955e+00 + 3.7000e+00 -9.2263e+00 2.5522e-03 9.9745e-01 9.4659e-02 9.0534e-01 1.0000e-10 1.0000e-10 9.4556e-03 3.6955e+00 + 3.8000e+00 -9.2273e+00 2.4881e-03 9.9751e-01 9.2478e-02 9.0752e-01 1.0000e-10 1.0000e-10 9.4669e-03 3.7955e+00 + 3.9000e+00 -9.2284e+00 2.4271e-03 9.9757e-01 9.0395e-02 9.0961e-01 1.0000e-10 1.0000e-10 9.4776e-03 3.8955e+00 + 4.0000e+00 -9.2294e+00 2.3690e-03 9.9763e-01 8.8404e-02 9.1160e-01 1.0000e-10 1.0000e-10 9.4879e-03 3.9955e+00 + 4.1000e+00 -9.2303e+00 2.3137e-03 9.9769e-01 8.6499e-02 9.1350e-01 1.0000e-10 1.0000e-10 9.4977e-03 4.0955e+00 + 4.2000e+00 -9.2312e+00 2.2609e-03 9.9774e-01 8.4674e-02 9.1533e-01 1.0000e-10 1.0000e-10 9.5071e-03 4.1954e+00 + 4.3000e+00 -9.2320e+00 2.2105e-03 9.9779e-01 8.2925e-02 9.1707e-01 1.0000e-10 1.0000e-10 9.5160e-03 4.2954e+00 + 4.4000e+00 -9.2329e+00 2.1623e-03 9.9784e-01 8.1247e-02 9.1875e-01 1.0000e-10 1.0000e-10 9.5246e-03 4.3954e+00 + 4.5000e+00 -9.2337e+00 2.1161e-03 9.9788e-01 7.9636e-02 9.2036e-01 1.0000e-10 1.0000e-10 9.5329e-03 4.4954e+00 + 4.6000e+00 -9.2344e+00 2.0719e-03 9.9793e-01 7.8087e-02 9.2191e-01 1.0000e-10 1.0000e-10 9.5408e-03 4.5954e+00 + 4.7000e+00 -9.2351e+00 2.0294e-03 9.9797e-01 7.6598e-02 9.2340e-01 1.0000e-10 1.0000e-10 9.5484e-03 4.6954e+00 + 4.8000e+00 -9.2358e+00 1.9887e-03 9.9801e-01 7.5164e-02 9.2484e-01 1.0000e-10 1.0000e-10 9.5557e-03 4.7954e+00 + 4.9000e+00 -9.2365e+00 1.9496e-03 9.9805e-01 7.3784e-02 9.2622e-01 1.0000e-10 1.0000e-10 9.5628e-03 4.8954e+00 + 5.0000e+00 -9.2371e+00 1.9120e-03 9.9809e-01 7.2453e-02 9.2755e-01 1.0000e-10 1.0000e-10 9.5695e-03 4.9954e+00 + 5.1000e+00 -9.2378e+00 1.8758e-03 9.9812e-01 7.1169e-02 9.2883e-01 1.0000e-10 1.0000e-10 9.5761e-03 5.0954e+00 + 5.2000e+00 -9.2384e+00 1.8410e-03 9.9816e-01 6.9930e-02 9.3007e-01 1.0000e-10 1.0000e-10 9.5823e-03 5.1954e+00 + 5.3000e+00 -9.2389e+00 1.8074e-03 9.9819e-01 6.8733e-02 9.3127e-01 1.0000e-10 1.0000e-10 9.5884e-03 5.2954e+00 + 5.4000e+00 -9.2395e+00 1.7751e-03 9.9822e-01 6.7577e-02 9.3242e-01 1.0000e-10 1.0000e-10 9.5943e-03 5.3954e+00 + 5.5000e+00 -9.2400e+00 1.7439e-03 9.9826e-01 6.6459e-02 9.3354e-01 1.0000e-10 1.0000e-10 9.5999e-03 5.4954e+00 + 5.6000e+00 -9.2406e+00 1.7137e-03 9.9829e-01 6.5378e-02 9.3462e-01 1.0000e-10 1.0000e-10 9.6054e-03 5.5954e+00 + 5.7000e+00 -9.2411e+00 1.6846e-03 9.9832e-01 6.4331e-02 9.3567e-01 1.0000e-10 1.0000e-10 9.6107e-03 5.6954e+00 + 5.8000e+00 -9.2415e+00 1.6565e-03 9.9834e-01 6.3317e-02 9.3668e-01 1.0000e-10 1.0000e-10 9.6158e-03 5.7954e+00 + 5.9000e+00 -9.2420e+00 1.6293e-03 9.9837e-01 6.2335e-02 9.3766e-01 1.0000e-10 1.0000e-10 9.6208e-03 5.8954e+00 + 6.0000e+00 -9.2425e+00 1.6029e-03 9.9840e-01 6.1383e-02 9.3862e-01 1.0000e-10 1.0000e-10 9.6256e-03 5.9954e+00 + 6.1000e+00 -9.2429e+00 1.5774e-03 9.9842e-01 6.0459e-02 9.3954e-01 1.0000e-10 1.0000e-10 9.6303e-03 6.0954e+00 + 6.2000e+00 -9.2433e+00 1.5527e-03 9.9845e-01 5.9563e-02 9.4044e-01 1.0000e-10 1.0000e-10 9.6348e-03 6.1954e+00 + 6.3000e+00 -9.2438e+00 1.5288e-03 9.9847e-01 5.8693e-02 9.4131e-01 1.0000e-10 1.0000e-10 9.6392e-03 6.2954e+00 + 6.4000e+00 -9.2442e+00 1.5056e-03 9.9849e-01 5.7848e-02 9.4215e-01 1.0000e-10 1.0000e-10 9.6434e-03 6.3954e+00 + 6.5000e+00 -9.2446e+00 1.4831e-03 9.9852e-01 5.7027e-02 9.4297e-01 1.0000e-10 1.0000e-10 9.6475e-03 6.4954e+00 + 6.6000e+00 -9.2449e+00 1.4612e-03 9.9854e-01 5.6230e-02 9.4377e-01 1.0000e-10 1.0000e-10 9.6515e-03 6.5954e+00 + 6.7000e+00 -9.2453e+00 1.4400e-03 9.9856e-01 5.5454e-02 9.4455e-01 1.0000e-10 1.0000e-10 9.6554e-03 6.6953e+00 + 6.8000e+00 -9.2457e+00 1.4194e-03 9.9858e-01 5.4699e-02 9.4530e-01 1.0000e-10 1.0000e-10 9.6592e-03 6.7953e+00 + 6.9000e+00 -9.2460e+00 1.3994e-03 9.9860e-01 5.3965e-02 9.4604e-01 1.0000e-10 1.0000e-10 9.6629e-03 6.8953e+00 + 7.0000e+00 -9.2464e+00 1.3799e-03 9.9862e-01 5.3250e-02 9.4675e-01 1.0000e-10 1.0000e-10 9.6665e-03 6.9953e+00 + 7.1000e+00 -9.2467e+00 1.3610e-03 9.9864e-01 5.2553e-02 9.4745e-01 1.0000e-10 1.0000e-10 9.6700e-03 7.0953e+00 + 7.2000e+00 -9.2470e+00 1.3426e-03 9.9866e-01 5.1875e-02 9.4812e-01 1.0000e-10 1.0000e-10 9.6734e-03 7.1953e+00 + 7.3000e+00 -9.2473e+00 1.3247e-03 9.9868e-01 5.1214e-02 9.4879e-01 1.0000e-10 1.0000e-10 9.6767e-03 7.2953e+00 + 7.4000e+00 -9.2476e+00 1.3072e-03 9.9869e-01 5.0570e-02 9.4943e-01 1.0000e-10 1.0000e-10 9.6799e-03 7.3953e+00 + 7.5000e+00 -9.2479e+00 1.2902e-03 9.9871e-01 4.9942e-02 9.5006e-01 1.0000e-10 1.0000e-10 9.6831e-03 7.4953e+00 + 7.6000e+00 -9.2482e+00 1.2737e-03 9.9873e-01 4.9329e-02 9.5067e-01 1.0000e-10 1.0000e-10 9.6861e-03 7.5953e+00 + 7.7000e+00 -9.2485e+00 1.2575e-03 9.9874e-01 4.8731e-02 9.5127e-01 1.0000e-10 1.0000e-10 9.6891e-03 7.6953e+00 + 7.8000e+00 -9.2488e+00 1.2418e-03 9.9876e-01 4.8147e-02 9.5185e-01 1.0000e-10 1.0000e-10 9.6920e-03 7.7953e+00 + 7.9000e+00 -9.2490e+00 1.2264e-03 9.9877e-01 4.7577e-02 9.5242e-01 1.0000e-10 1.0000e-10 9.6949e-03 7.8953e+00 + 8.0000e+00 -9.2493e+00 1.2114e-03 9.9879e-01 4.7021e-02 9.5298e-01 1.0000e-10 1.0000e-10 9.6977e-03 7.9953e+00 + 8.1000e+00 -9.2496e+00 1.1968e-03 9.9880e-01 4.6477e-02 9.5352e-01 1.0000e-10 1.0000e-10 9.7004e-03 8.0953e+00 + 8.2000e+00 -9.2498e+00 1.1826e-03 9.9882e-01 4.5946e-02 9.5405e-01 1.0000e-10 1.0000e-10 9.7030e-03 8.1953e+00 + 8.3000e+00 -9.2501e+00 1.1686e-03 9.9883e-01 4.5427e-02 9.5457e-01 1.0000e-10 1.0000e-10 9.7056e-03 8.2953e+00 + 8.4000e+00 -9.2503e+00 1.1550e-03 9.9884e-01 4.4919e-02 9.5508e-01 1.0000e-10 1.0000e-10 9.7081e-03 8.3953e+00 + 8.5000e+00 -9.2505e+00 1.1418e-03 9.9886e-01 4.4423e-02 9.5558e-01 1.0000e-10 1.0000e-10 9.7106e-03 8.4953e+00 + 8.6000e+00 -9.2508e+00 1.1288e-03 9.9887e-01 4.3937e-02 9.5606e-01 1.0000e-10 1.0000e-10 9.7130e-03 8.5953e+00 + 8.7000e+00 -9.2510e+00 1.1161e-03 9.9888e-01 4.3462e-02 9.5654e-01 1.0000e-10 1.0000e-10 9.7154e-03 8.6953e+00 + 8.8000e+00 -9.2512e+00 1.1037e-03 9.9890e-01 4.2997e-02 9.5700e-01 1.0000e-10 1.0000e-10 9.7177e-03 8.7953e+00 + 8.9000e+00 -9.2514e+00 1.0915e-03 9.9891e-01 4.2542e-02 9.5746e-01 1.0000e-10 1.0000e-10 9.7200e-03 8.8953e+00 + 9.0000e+00 -9.2516e+00 1.0796e-03 9.9892e-01 4.2097e-02 9.5790e-01 1.0000e-10 1.0000e-10 9.7222e-03 8.9953e+00 + 9.1000e+00 -9.2518e+00 1.0680e-03 9.9893e-01 4.1661e-02 9.5834e-01 1.0000e-10 1.0000e-10 9.7244e-03 9.0953e+00 + 9.2000e+00 -9.2520e+00 1.0566e-03 9.9894e-01 4.1234e-02 9.5877e-01 1.0000e-10 1.0000e-10 9.7265e-03 9.1953e+00 + 9.3000e+00 -9.2522e+00 1.0455e-03 9.9895e-01 4.0815e-02 9.5919e-01 1.0000e-10 1.0000e-10 9.7286e-03 9.2953e+00 + 9.4000e+00 -9.2524e+00 1.0346e-03 9.9897e-01 4.0405e-02 9.5960e-01 1.0000e-10 1.0000e-10 9.7306e-03 9.3953e+00 + 9.5000e+00 -9.2526e+00 1.0239e-03 9.9898e-01 4.0003e-02 9.6000e-01 1.0000e-10 1.0000e-10 9.7326e-03 9.4953e+00 + 9.6000e+00 -9.2528e+00 1.0135e-03 9.9899e-01 3.9609e-02 9.6039e-01 1.0000e-10 1.0000e-10 9.7346e-03 9.5953e+00 + 9.7000e+00 -9.2530e+00 1.0032e-03 9.9900e-01 3.9222e-02 9.6078e-01 1.0000e-10 1.0000e-10 9.7365e-03 9.6953e+00 + 9.8000e+00 -9.2531e+00 9.9320e-04 9.9901e-01 3.8843e-02 9.6116e-01 1.0000e-10 1.0000e-10 9.7384e-03 9.7953e+00 + 9.9000e+00 -9.2533e+00 9.8336e-04 9.9902e-01 3.8472e-02 9.6153e-01 1.0000e-10 1.0000e-10 9.7402e-03 9.8953e+00 + 1.0000e+01 -9.2535e+00 9.7371e-04 9.9903e-01 3.8107e-02 9.6189e-01 1.0000e-10 1.0000e-10 9.7420e-03 9.9953e+00 diff --git a/ex11.out b/ex11.out index c9af3143..c9b25c64 100644 --- a/ex11.out +++ b/ex11.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex12.out b/ex12.out index 0a1b776d..3ce78bc9 100644 --- a/ex12.out +++ b/ex12.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex12a.out b/ex12a.out index 7f886c42..f8fc81e7 100644 --- a/ex12a.out +++ b/ex12a.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex13a.out b/ex13a.out index 65c5d82a..566b957b 100644 --- a/ex13a.out +++ b/ex13a.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex13ac.out b/ex13ac.out index 7f601aa2..6d99ba6b 100644 --- a/ex13ac.out +++ b/ex13ac.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex13b.out b/ex13b.out index 229de687..83257bbb 100644 --- a/ex13b.out +++ b/ex13b.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex13c.out b/ex13c.out index 5bbf0c8a..5102e6e4 100644 --- a/ex13c.out +++ b/ex13c.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex14.out b/ex14.out index 28655381..71a465f4 100644 --- a/ex14.out +++ b/ex14.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -88,21 +88,21 @@ Initial solution 1. Brine pH = 5.713 pe = 14.962 Equilibrium with O2(g) - Specific Conductance (µS/cm, 25°C) = 243034 - Density (g/cm³) = 1.21640 - Volume (L) = 1.13690 - Viscosity (mPa s) = 1.95436 + Specific Conductance (µS/cm, 25°C) = 243000 + Density (g/cm³) = 1.21629 + Volume (L) = 1.13700 + Viscosity (mPa s) = 1.95441 Activity of water = 0.785 - Ionic strength (mol/kgw) = 7.269e+00 + Ionic strength (mol/kgw) = 7.270e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.726e-03 + Total alkalinity (eq/kg) = 3.608e-03 Total CO2 (mol/kg) = 3.960e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = -2.013e-15 + Electrical balance (eq) = -3.249e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 11 - Total H = 1.110162e+02 - Total O = 5.553686e+01 + Iterations = 14 + Total H = 1.110160e+02 + Total O = 5.553674e+01 ----------------------------Distribution of species---------------------------- @@ -114,79 +114,79 @@ 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 1.374e-07 -7.602 -6.862 0.740 (0) - H3AsO4 8.668e-12 4.622e-11 -11.062 -10.335 0.727 (0) - HAsO4-2 8.511e-12 7.778e-09 -11.070 -8.109 2.961 (0) - AsO4-3 2.766e-21 1.270e-14 -20.558 -13.896 6.662 (0) + H3AsO4 8.669e-12 4.623e-11 -11.062 -10.335 0.727 (0) + HAsO4-2 8.507e-12 7.779e-09 -11.070 -8.109 2.961 (0) + AsO4-3 2.763e-21 1.270e-14 -20.559 -13.896 6.663 (0) C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -144.675 -143.948 0.727 35.46 + CH4 0.000e+00 0.000e+00 -144.496 -143.769 0.727 35.46 C(4) 3.960e-03 - CaHCO3+ 1.902e-03 1.152e-03 -2.721 -2.939 -0.218 10.08 - MgHCO3+ 1.562e-03 7.781e-04 -2.806 -3.109 -0.303 6.01 - CO2 2.334e-04 7.045e-04 -3.632 -3.152 0.480 34.43 - HCO3- 2.195e-04 1.270e-04 -3.659 -3.896 -0.238 37.32 - NaHCO3 4.169e-05 1.186e-03 -4.380 -2.926 1.454 31.73 - CaCO3 6.889e-07 3.674e-06 -6.162 -5.435 0.727 -14.60 - MgCO3 2.882e-07 1.537e-06 -6.540 -5.813 0.727 -17.09 - CO3-2 2.748e-08 3.075e-09 -7.561 -8.512 -0.951 10.19 - (CO2)2 1.709e-09 9.111e-09 -8.767 -8.040 0.727 68.87 + MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01 + CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 123.05 + CO2 3.518e-04 1.062e-03 -3.454 -2.974 0.480 34.43 + HCO3- 3.309e-04 1.914e-04 -3.480 -3.718 -0.238 37.32 + NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73 + CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60 + MgCO3 4.324e-07 2.306e-06 -6.364 -5.637 0.727 -17.09 + CO3-2 4.143e-08 4.635e-09 -7.383 -8.334 -0.951 10.19 + (CO2)2 3.882e-09 2.070e-08 -8.411 -7.684 0.727 68.87 Ca 4.655e-01 - Ca+2 4.633e-01 7.112e-01 -0.334 -0.148 0.186 -13.79 - CaHCO3+ 1.902e-03 1.152e-03 -2.721 -2.939 -0.218 10.08 - CaSO4 3.220e-04 1.717e-03 -3.492 -2.765 0.727 7.50 - CaCO3 6.889e-07 3.674e-06 -6.162 -5.435 0.727 -14.60 - CaOH+ 8.698e-09 4.782e-08 -8.061 -7.320 0.740 (0) - CaHSO4+ 3.975e-09 2.186e-08 -8.401 -7.660 0.740 (0) + Ca+2 4.643e-01 7.129e-01 -0.333 -0.147 0.186 -13.79 + CaHCO3+ 8.690e-04 5.263e-04 -3.061 -3.279 -0.218 123.05 + CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50 + CaCO3 1.041e-06 5.551e-06 -5.983 -5.256 0.727 -14.60 + CaOH+ 8.717e-09 4.794e-08 -8.060 -7.319 0.740 (0) + CaHSO4+ 3.984e-09 2.191e-08 -8.400 -7.659 0.740 (0) Cl 6.642e+00 Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27 - HCl 2.239e-09 2.778e-06 -8.650 -5.556 3.094 (0) + HCl 2.238e-09 2.778e-06 -8.650 -5.556 3.094 (0) 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 1.593e-01 5.238e-01 -0.798 -0.281 0.517 -17.22 - MgHCO3+ 1.562e-03 7.781e-04 -2.806 -3.109 -0.303 6.01 - MgSO4 6.548e-05 1.862e-03 -4.184 -2.730 1.454 -7.92 - MgOH+ 1.231e-06 7.705e-07 -5.910 -6.113 -0.204 (0) - MgCO3 2.882e-07 1.537e-06 -6.540 -5.813 0.727 -17.09 - Mg(SO4)2-2 2.202e-07 8.328e-08 -6.657 -7.079 -0.422 54.97 + Mg+2 1.585e-01 5.213e-01 -0.800 -0.283 0.517 -17.22 + MgHCO3+ 2.344e-03 1.167e-03 -2.630 -2.933 -0.303 6.01 + MgSO4 6.515e-05 1.853e-03 -4.186 -2.732 1.454 -7.92 + MgOH+ 1.225e-06 7.669e-07 -5.912 -6.115 -0.204 (0) + MgCO3 4.324e-07 2.306e-06 -6.364 -5.637 0.727 -17.09 + Mg(SO4)2-2 2.191e-07 8.286e-08 -6.659 -7.082 -0.422 54.97 Na 5.402e+00 Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52 - NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 - NaHCO3 4.169e-05 1.186e-03 -4.380 -2.926 1.454 31.73 + NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 + NaHCO3 6.284e-05 1.787e-03 -4.202 -2.748 1.454 31.73 NaOH 8.245e-19 4.397e-18 -18.084 -17.357 0.727 (0) -O(0) 9.587e-05 +O(0) 9.585e-05 O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40 S(-2) 0.000e+00 H2S 0.000e+00 0.000e+00 -141.404 -140.677 0.727 36.27 HS- 0.000e+00 0.000e+00 -141.570 -141.905 -0.335 23.12 S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0) - (H2S)2 0.000e+00 0.000e+00 -283.358 -282.631 0.727 30.09 + (H2S)2 0.000e+00 0.000e+00 -283.359 -282.632 0.727 30.09 S(6) 4.725e-03 - NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 - CaSO4 3.220e-04 1.717e-03 -3.492 -2.765 0.727 7.50 - SO4-2 2.735e-04 1.358e-05 -3.563 -4.867 -1.304 85.83 - MgSO4 6.548e-05 1.862e-03 -4.184 -2.730 1.454 -7.92 - Mg(SO4)2-2 2.202e-07 8.328e-08 -6.657 -7.079 -0.422 54.97 - CaHSO4+ 3.975e-09 2.186e-08 -8.401 -7.660 0.740 (0) - HSO4- 4.649e-10 2.556e-09 -9.333 -8.592 0.740 42.16 + NaSO4- 4.063e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 + CaSO4 3.227e-04 1.721e-03 -3.491 -2.764 0.727 7.50 + SO4-2 2.734e-04 1.358e-05 -3.563 -4.867 -1.304 85.83 + MgSO4 6.515e-05 1.853e-03 -4.186 -2.732 1.454 -7.92 + Mg(SO4)2-2 2.191e-07 8.286e-08 -6.659 -7.082 -0.422 54.97 + CaHSO4+ 3.984e-09 2.191e-08 -8.400 -7.659 0.740 (0) + HSO4- 4.648e-10 2.556e-09 -9.333 -8.592 0.740 42.16 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Anhydrite -0.74 -5.02 -4.28 CaSO4 - Aragonite -0.32 -8.66 -8.34 CaCO3 - Calcite -0.18 -8.66 -8.48 CaCO3 - CH4(g) -141.15 -143.95 -2.80 CH4 - CO2(g) -1.68 -3.15 -1.47 CO2 - Dolomite -0.37 -17.45 -17.08 CaMg(CO3)2 + Anhydrite -0.74 -5.01 -4.28 CaSO4 + Aragonite -0.14 -8.48 -8.34 CaCO3 + Calcite -0.00 -8.48 -8.48 CaCO3 + CH4(g) -140.97 -143.77 -2.80 CH4 + CO2(g) -1.51 -2.97 -1.47 CO2 + Dolomite -0.01 -17.10 -17.08 CaMg(CO3)2 Epsomite -4.15 -5.89 -1.74 MgSO4:7H2O - Gypsum -0.64 -5.23 -4.58 CaSO4:2H2O + Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O H2(g) -41.40 -44.50 -3.10 H2 H2O(g) -1.61 -0.11 1.50 H2O H2S(g) -139.68 -147.62 -7.94 H2S Halite 0.08 1.65 1.57 NaCl - Hexahydrite -4.21 -5.78 -1.57 MgSO4:6H2O - Kieserite -4.09 -5.25 -1.16 MgSO4:H2O + Hexahydrite -4.22 -5.78 -1.57 MgSO4:6H2O + Kieserite -4.09 -5.26 -1.16 MgSO4:H2O Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000 Sulfur -104.21 -99.33 4.88 S @@ -230,105 +230,105 @@ 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 1.049e-01 4.857e-03 -Dolomite 0.00 -17.08 -17.08 1.600e+00 1.598e+00 -2.464e-03 +Calcite 0.00 -8.48 -8.48 1.000e-01 1.065e-01 6.536e-03 +Dolomite 0.00 -17.08 -17.08 1.600e+00 1.597e+00 -3.272e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles As 2.500e-08 2.500e-08 - C 4.032e-03 4.032e-03 - Ca 4.631e-01 4.631e-01 + C 3.968e-03 3.968e-03 + Ca 4.622e-01 4.622e-01 Cl 6.642e+00 6.642e+00 - Mg 1.634e-01 1.634e-01 + Mg 1.642e-01 1.642e-01 Na 5.402e+00 5.402e+00 S 4.725e-03 4.725e-03 ----------------------------Description of solution---------------------------- - pH = 5.881 Charge balance - pe = 14.794 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 242989 - Density (g/cm³) = 1.21638 - Volume (L) = 1.13689 - Viscosity (mPa s) = 1.95471 + pH = 5.720 Charge balance + pe = 14.955 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 242937 + Density (g/cm³) = 1.21626 + Volume (L) = 1.13699 + Viscosity (mPa s) = 1.95490 Activity of water = 0.785 - Ionic strength (mol/kgw) = 7.269e+00 + Ionic strength (mol/kgw) = 7.270e+00 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.869e-03 - Total CO2 (mol/kg) = 4.032e-03 + Total alkalinity (eq/kg) = 3.625e-03 + Total CO2 (mol/kg) = 3.968e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 8.401e-13 + Electrical balance (eq) = 3.117e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 3 - Total H = 1.110162e+02 - Total O = 5.553708e+01 + Iterations = 2 + Total H = 1.110160e+02 + Total O = 5.553677e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.872e-06 1.315e-06 -5.728 -5.881 -0.153 0.00 - OH- 1.307e-08 6.038e-09 -7.884 -8.219 -0.335 6.33 + H+ 2.712e-06 1.905e-06 -5.567 -5.720 -0.153 0.00 + OH- 9.023e-09 4.168e-09 -8.045 -8.380 -0.335 6.33 H2O 5.551e+01 7.846e-01 1.744 -0.105 0.000 18.07 As 2.500e-08 H2AsO4- 2.498e-08 1.374e-07 -7.602 -6.862 0.740 (0) - HAsO4-2 1.253e-11 1.145e-08 -10.902 -7.941 2.961 (0) - H3AsO4 5.887e-12 3.139e-11 -11.230 -10.503 0.727 (0) - AsO4-3 5.997e-21 2.753e-14 -20.222 -13.560 6.662 (0) + HAsO4-2 8.646e-12 7.906e-09 -11.063 -8.102 2.961 (0) + H3AsO4 8.529e-12 4.549e-11 -11.069 -10.342 0.727 (0) + AsO4-3 2.854e-21 1.312e-14 -20.545 -13.882 6.663 (0) C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -144.828 -144.101 0.727 35.46 -C(4) 4.032e-03 - CaHCO3+ 1.956e-03 1.185e-03 -2.709 -2.926 -0.218 10.08 - MgHCO3+ 1.640e-03 8.166e-04 -2.785 -3.088 -0.303 6.01 - HCO3- 2.270e-04 1.313e-04 -3.644 -3.882 -0.238 37.31 - CO2 1.639e-04 4.948e-04 -3.785 -3.306 0.480 34.43 - NaHCO3 4.311e-05 1.226e-03 -4.365 -2.912 1.454 31.73 + CH4 0.000e+00 0.000e+00 -144.506 -143.780 0.727 35.46 +C(4) 3.968e-03 + MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01 + CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 123.05 + CO2 3.437e-04 1.038e-03 -3.464 -2.984 0.480 34.43 + HCO3- 3.286e-04 1.901e-04 -3.483 -3.721 -0.238 37.32 + NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73 CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60 MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09 - CO3-2 4.184e-08 4.681e-09 -7.378 -8.330 -0.951 10.19 - (CO2)2 8.427e-10 4.494e-09 -9.074 -8.347 0.727 68.87 -Ca 4.631e-01 - Ca+2 4.608e-01 7.074e-01 -0.336 -0.150 0.186 -13.79 - CaHCO3+ 1.956e-03 1.185e-03 -2.709 -2.926 -0.218 10.08 - CaSO4 3.204e-04 1.708e-03 -3.494 -2.767 0.727 7.50 + CO3-2 4.181e-08 4.678e-09 -7.379 -8.330 -0.951 10.19 + (CO2)2 3.706e-09 1.976e-08 -8.431 -7.704 0.727 68.87 +Ca 4.622e-01 + Ca+2 4.611e-01 7.079e-01 -0.336 -0.150 0.186 -13.79 + CaHCO3+ 8.569e-04 5.189e-04 -3.067 -3.285 -0.218 123.05 + CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50 CaCO3 1.043e-06 5.563e-06 -5.982 -5.255 0.727 -14.60 - CaOH+ 1.274e-08 7.004e-08 -7.895 -7.155 0.740 (0) - CaHSO4+ 2.686e-09 1.477e-08 -8.571 -7.831 0.740 (0) + CaOH+ 8.798e-09 4.838e-08 -8.056 -7.315 0.740 (0) + CaHSO4+ 3.893e-09 2.141e-08 -8.410 -7.669 0.740 (0) Cl 6.642e+00 Cl- 6.642e+00 4.165e+00 0.822 0.620 -0.203 20.27 - HCl 1.521e-09 1.887e-06 -8.818 -5.724 3.094 (0) + HCl 2.202e-09 2.734e-06 -8.657 -5.563 3.094 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -45.226 -44.499 0.727 28.61 -Mg 1.634e-01 - Mg+2 1.617e-01 5.316e-01 -0.791 -0.274 0.517 -17.22 - MgHCO3+ 1.640e-03 8.166e-04 -2.785 -3.088 -0.303 6.01 - MgSO4 6.648e-05 1.890e-03 -4.177 -2.723 1.454 -7.92 - MgOH+ 1.840e-06 1.151e-06 -5.735 -5.939 -0.204 (0) +Mg 1.642e-01 + Mg+2 1.617e-01 5.320e-01 -0.791 -0.274 0.517 -17.22 + MgHCO3+ 2.375e-03 1.183e-03 -2.624 -2.927 -0.303 6.01 + MgSO4 6.650e-05 1.891e-03 -4.177 -2.723 1.454 -7.92 + MgOH+ 1.271e-06 7.954e-07 -5.896 -6.099 -0.204 (0) MgCO3 4.453e-07 2.375e-06 -6.351 -5.624 0.727 -17.09 - Mg(SO4)2-2 2.236e-07 8.455e-08 -6.651 -7.073 -0.422 54.97 + Mg(SO4)2-2 2.237e-07 8.458e-08 -6.650 -7.073 -0.422 54.97 Na 5.402e+00 Na+ 5.398e+00 1.072e+01 0.732 1.030 0.298 1.52 NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 - NaHCO3 4.311e-05 1.226e-03 -4.365 -2.912 1.454 31.73 - NaOH 1.214e-18 6.474e-18 -17.916 -17.189 0.727 (0) -O(0) 9.587e-05 + NaHCO3 6.240e-05 1.775e-03 -4.205 -2.751 1.454 31.73 + NaOH 8.380e-19 4.469e-18 -18.077 -17.350 0.727 (0) +O(0) 9.585e-05 O2 4.793e-05 2.556e-04 -4.319 -3.592 0.727 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -141.738 -142.073 -0.335 23.12 - H2S 0.000e+00 0.000e+00 -141.739 -141.013 0.727 36.27 + H2S 0.000e+00 0.000e+00 -141.418 -140.691 0.727 36.27 + HS- 0.000e+00 0.000e+00 -141.577 -141.912 -0.335 23.12 S-2 0.000e+00 0.000e+00 -148.097 -149.110 -1.013 (0) - (H2S)2 0.000e+00 0.000e+00 -284.030 -283.303 0.727 30.09 + (H2S)2 0.000e+00 0.000e+00 -283.387 -282.660 0.727 30.09 S(6) 4.725e-03 NaSO4- 4.064e-03 2.370e-03 -2.391 -2.625 -0.234 35.76 - CaSO4 3.204e-04 1.708e-03 -3.494 -2.767 0.727 7.50 + CaSO4 3.205e-04 1.709e-03 -3.494 -2.767 0.727 7.50 SO4-2 2.735e-04 1.358e-05 -3.563 -4.867 -1.304 85.83 - MgSO4 6.648e-05 1.890e-03 -4.177 -2.723 1.454 -7.92 - Mg(SO4)2-2 2.236e-07 8.455e-08 -6.651 -7.073 -0.422 54.97 - CaHSO4+ 2.686e-09 1.477e-08 -8.571 -7.831 0.740 (0) - HSO4- 3.158e-10 1.737e-09 -9.501 -8.760 0.740 42.16 + MgSO4 6.650e-05 1.891e-03 -4.177 -2.723 1.454 -7.92 + Mg(SO4)2-2 2.237e-07 8.458e-08 -6.650 -7.073 -0.422 54.97 + CaHSO4+ 3.893e-09 2.141e-08 -8.410 -7.669 0.740 (0) + HSO4- 4.574e-10 2.515e-09 -9.340 -8.599 0.740 42.16 ------------------------------Saturation indices------------------------------- @@ -337,20 +337,20 @@ S(6) 4.725e-03 Anhydrite -0.74 -5.02 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -141.30 -144.10 -2.80 CH4 - CO2(g) -1.84 -3.31 -1.47 CO2 + CH4(g) -140.98 -143.78 -2.80 CH4 + CO2(g) -1.52 -2.98 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 Epsomite -4.14 -5.88 -1.74 MgSO4:7H2O Gypsum -0.65 -5.23 -4.58 CaSO4:2H2O H2(g) -41.40 -44.50 -3.10 H2 H2O(g) -1.61 -0.11 1.50 H2O - H2S(g) -140.02 -147.95 -7.94 H2S + H2S(g) -139.70 -147.63 -7.94 H2S Halite 0.08 1.65 1.57 NaCl Hexahydrite -4.21 -5.77 -1.57 MgSO4:6H2O Kieserite -4.09 -5.25 -1.16 MgSO4:H2O Mirabilite -2.62 -3.86 -1.24 Na2SO4:10H2O O2(g) -0.70 -3.59 -2.89 O2 - Sulfur -104.55 -99.66 4.88 S + Sulfur -104.22 -99.34 4.88 S Thenardite -2.51 -2.81 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -385,8 +385,8 @@ X 1.000e+00 mol Species Moles alents Fraction Gamma NaX 9.010e-01 9.010e-01 9.010e-01 0.298 - CaX2 4.051e-02 8.102e-02 8.102e-02 0.186 - MgX2 8.966e-03 1.793e-02 1.793e-02 0.517 + CaX2 4.053e-02 8.105e-02 8.105e-02 0.186 + MgX2 8.970e-03 1.794e-02 1.794e-02 0.517 ------------------------------------------------------ Beginning of initial surface-composition calculations. @@ -397,11 +397,11 @@ Surface 1. Diffuse Double Layer Surface-Complexation Model Surf - 5.172e-02 Surface charge, eq - 2.772e-01 sigma, C/m² - 4.066e-02 psi, V - -1.583e+00 -F*psi/RT - 2.054e-01 exp(-F*psi/RT) + 5.630e-02 Surface charge, eq + 3.018e-01 sigma, C/m² + 4.360e-02 psi, V + -1.697e+00 -F*psi/RT + 1.832e-01 exp(-F*psi/RT) 6.000e+02 specific area, m²/g 1.800e+04 m² for 3.000e+01 g @@ -411,12 +411,12 @@ Surf Mole Log Species Moles Fraction Molality Molality - SurfOH2+ 5.669e-02 0.810 5.669e-02 -1.246 - SurfOH 1.076e-02 0.154 1.076e-02 -1.968 - SurfOHAsO4-3 1.299e-03 0.019 1.299e-03 -2.886 - SurfHAsO4- 1.029e-03 0.015 1.029e-03 -2.988 - SurfH2AsO4 1.754e-04 0.003 1.754e-04 -3.756 - SurfO- 4.679e-05 0.001 4.679e-05 -4.330 + SurfOH2+ 5.939e-02 0.848 5.939e-02 -1.226 + SurfOH 8.727e-03 0.125 8.727e-03 -2.059 + SurfHAsO4- 9.359e-04 0.013 9.359e-04 -3.029 + SurfOHAsO4-3 7.082e-04 0.010 7.082e-04 -3.150 + SurfH2AsO4 2.061e-04 0.003 2.061e-04 -3.686 + SurfO- 2.938e-05 0.000 2.938e-05 -4.532 ------------------ End of simulation. @@ -474,7 +474,7 @@ Initial solution 0. 20 x precipitation Total alkalinity (eq/kg) = -2.630e-05 Total CO2 (mol/kg) = 1.096e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.480e-16 + Electrical balance (eq) = 1.978e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110125e+02 @@ -493,7 +493,7 @@ C(-4) 0.000e+00 C(4) 1.096e-05 CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43 HCO3- 1.975e-07 1.906e-07 -6.704 -6.720 -0.016 24.58 - CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67 + CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 122.64 MgHCO3+ 6.872e-11 6.627e-11 -10.163 -10.179 -0.016 5.48 NaHCO3 1.957e-11 1.958e-11 -10.708 -10.708 0.000 31.73 (CO2)2 2.126e-12 2.127e-12 -11.672 -11.672 0.000 68.87 @@ -504,7 +504,7 @@ Ca 1.916e-04 Ca+2 1.860e-04 1.612e-04 -3.731 -3.793 -0.062 -18.14 CaSO4 5.634e-06 5.635e-06 -5.249 -5.249 0.000 7.50 CaHSO4+ 9.648e-10 9.304e-10 -9.016 -9.031 -0.016 (0) - CaHCO3+ 4.061e-10 3.919e-10 -9.391 -9.407 -0.015 9.67 + CaHCO3+ 1.228e-10 1.185e-10 -9.911 -9.926 -0.015 122.64 CaOH+ 1.104e-12 1.065e-12 -11.957 -11.973 -0.016 (0) CaCO3 9.632e-14 9.634e-14 -13.016 -13.016 0.000 -14.60 Cl 1.337e-04 @@ -580,100 +580,100 @@ Using pure phase assemblage 0. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.073e-03 -Calcite 0.00 -8.48 -8.48 1.000e-01 9.968e-02 -3.160e-04 -Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.366e-03 +CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -4.032e-03 +Calcite 0.00 -8.48 -8.48 1.000e-01 9.974e-02 -2.569e-04 +Dolomite 0.00 -17.08 -17.08 1.600e+00 1.599e+00 -1.375e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 7.133e-03 7.132e-03 - Ca 1.874e-03 1.874e-03 + C 7.051e-03 7.051e-03 + Ca 1.824e-03 1.824e-03 Cl 1.337e-04 1.337e-04 - Mg 1.402e-03 1.402e-03 + Mg 1.411e-03 1.411e-03 Na 1.227e-04 1.227e-04 S 2.351e-04 2.351e-04 ----------------------------Description of solution---------------------------- - pH = 7.048 Charge balance - pe = 13.574 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 604 - Density (g/cm³) = 0.99747 + pH = 7.047 Charge balance + pe = 13.576 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 603 + Density (g/cm³) = 0.99746 Volume (L) = 1.00305 Viscosity (mPa s) = 0.89401 Activity of water = 1.000 Ionic strength (mol/kgw) = 9.649e-03 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 6.070e-03 - Total CO2 (mol/kg) = 7.133e-03 + Total alkalinity (eq/kg) = 5.989e-03 + Total CO2 (mol/kg) = 7.051e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.082e-15 + Electrical balance (eq) = 2.051e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 9 Total H = 1.110125e+02 - Total O = 5.552498e+01 + Total O = 5.552478e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.254e-07 1.130e-07 -6.902 -6.947 -0.045 -4.04 - H+ 9.790e-08 8.953e-08 -7.009 -7.048 -0.039 0.00 + OH- 1.250e-07 1.126e-07 -6.903 -6.948 -0.045 -4.04 + H+ 9.823e-08 8.983e-08 -7.008 -7.047 -0.039 0.00 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 0.000e+00 CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46 -C(4) 7.133e-03 - HCO3- 5.895e-03 5.344e-03 -2.230 -2.272 -0.043 24.65 +C(4) 7.051e-03 + HCO3- 5.875e-03 5.326e-03 -2.231 -2.274 -0.043 24.65 CO2 1.074e-03 1.076e-03 -2.969 -2.968 0.001 34.43 - CaHCO3+ 8.885e-05 8.066e-05 -4.051 -4.093 -0.042 9.72 - MgHCO3+ 6.157e-05 5.559e-05 -4.211 -4.255 -0.044 5.53 + MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53 + CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 122.69 CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60 - CO3-2 4.146e-06 2.799e-06 -5.382 -5.553 -0.171 -3.67 + CO3-2 4.119e-06 2.780e-06 -5.385 -5.556 -0.171 -3.67 MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09 - NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73 + NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73 (CO2)2 2.120e-08 2.125e-08 -7.674 -7.673 0.001 68.87 -Ca 1.874e-03 - Ca+2 1.754e-03 1.183e-03 -2.756 -2.927 -0.171 -17.93 - CaHCO3+ 8.885e-05 8.066e-05 -4.051 -4.093 -0.042 9.72 - CaSO4 2.553e-05 2.558e-05 -4.593 -4.592 0.001 7.50 +Ca 1.824e-03 + Ca+2 1.766e-03 1.191e-03 -2.753 -2.924 -0.171 -17.93 + CaHCO3+ 2.695e-05 2.447e-05 -4.569 -4.611 -0.042 122.69 + CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50 CaCO3 5.551e-06 5.563e-06 -5.256 -5.255 0.001 -14.60 - CaOH+ 2.427e-09 2.193e-09 -8.615 -8.659 -0.044 (0) - CaHSO4+ 1.667e-11 1.506e-11 -10.778 -10.822 -0.044 (0) + CaOH+ 2.435e-09 2.200e-09 -8.613 -8.658 -0.044 (0) + CaHSO4+ 1.681e-11 1.519e-11 -10.774 -10.819 -0.044 (0) Cl 1.337e-04 Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14 - HCl 3.686e-12 3.721e-12 -11.433 -11.429 0.004 (0) + HCl 3.698e-12 3.733e-12 -11.432 -11.428 0.004 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61 -Mg 1.402e-03 - Mg+2 1.310e-03 8.891e-04 -2.883 -3.051 -0.168 -21.62 - MgHCO3+ 6.157e-05 5.559e-05 -4.211 -4.255 -0.044 5.53 - MgSO4 2.818e-05 2.831e-05 -4.550 -4.548 0.002 -7.92 +Mg 1.411e-03 + Mg+2 1.319e-03 8.951e-04 -2.880 -3.048 -0.168 -21.62 + MgHCO3+ 6.178e-05 5.578e-05 -4.209 -4.254 -0.044 5.53 + MgSO4 2.833e-05 2.845e-05 -4.548 -4.546 0.002 -7.92 MgCO3 2.369e-06 2.375e-06 -5.625 -5.624 0.001 -17.09 - MgOH+ 3.965e-08 3.605e-08 -7.402 -7.443 -0.041 (0) - Mg(SO4)2-2 1.650e-08 1.134e-08 -7.782 -7.945 -0.163 6.69 + MgOH+ 3.979e-08 3.617e-08 -7.400 -7.442 -0.041 (0) + Mg(SO4)2-2 1.656e-08 1.138e-08 -7.781 -7.944 -0.163 6.69 Na 1.227e-04 Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 - NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73 - NaSO4- 2.408e-07 2.184e-07 -6.618 -6.661 -0.043 -15.24 - NaOH 1.244e-21 1.247e-21 -20.905 -20.904 0.001 (0) + NaHCO3 5.094e-07 5.117e-07 -6.293 -6.291 0.002 31.73 + NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24 + NaOH 1.240e-21 1.243e-21 -20.907 -20.906 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 -142.245 -142.290 -0.045 20.67 - H2S 0.000e+00 0.000e+00 -142.397 -142.396 0.001 36.27 - S-2 0.000e+00 0.000e+00 -147.987 -148.160 -0.173 (0) - (H2S)2 0.000e+00 0.000e+00 -286.072 -286.071 0.001 30.09 + HS- 0.000e+00 0.000e+00 -142.244 -142.289 -0.045 20.67 + H2S 0.000e+00 0.000e+00 -142.395 -142.394 0.001 36.27 + S-2 0.000e+00 0.000e+00 -147.988 -148.161 -0.173 (0) + (H2S)2 0.000e+00 0.000e+00 -286.067 -286.066 0.001 30.09 S(6) 2.351e-04 - SO4-2 1.811e-04 1.216e-04 -3.742 -3.915 -0.173 17.83 - MgSO4 2.818e-05 2.831e-05 -4.550 -4.548 0.002 -7.92 - CaSO4 2.553e-05 2.558e-05 -4.593 -4.592 0.001 7.50 - NaSO4- 2.408e-07 2.184e-07 -6.618 -6.661 -0.043 -15.24 - Mg(SO4)2-2 1.650e-08 1.134e-08 -7.782 -7.945 -0.163 6.69 - HSO4- 1.172e-09 1.059e-09 -8.931 -8.975 -0.044 40.34 - CaHSO4+ 1.667e-11 1.506e-11 -10.778 -10.822 -0.044 (0) + SO4-2 1.808e-04 1.214e-04 -3.743 -3.916 -0.173 17.83 + MgSO4 2.833e-05 2.845e-05 -4.548 -4.546 0.002 -7.92 + CaSO4 2.566e-05 2.572e-05 -4.591 -4.590 0.001 7.50 + NaSO4- 2.405e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24 + Mg(SO4)2-2 1.656e-08 1.138e-08 -7.781 -7.944 -0.163 6.69 + HSO4- 1.174e-09 1.060e-09 -8.930 -8.975 -0.044 40.34 + CaHSO4+ 1.681e-11 1.519e-11 -10.774 -10.819 -0.044 (0) ------------------------------Saturation indices------------------------------- @@ -685,14 +685,14 @@ S(6) 2.351e-04 CH4(g) -140.75 -143.56 -2.80 CH4 CO2(g) -1.50 -2.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 - Epsomite -5.23 -6.97 -1.74 MgSO4:7H2O + Epsomite -5.23 -6.96 -1.74 MgSO4:7H2O Gypsum -2.26 -6.84 -4.58 CaSO4:2H2O H2(g) -41.29 -44.39 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -141.40 -149.34 -7.94 H2S Halite -9.45 -7.88 1.57 NaCl - Hexahydrite -5.40 -6.97 -1.57 MgSO4:6H2O - Kieserite -5.80 -6.97 -1.16 MgSO4:H2O + Hexahydrite -5.40 -6.96 -1.57 MgSO4:6H2O + Kieserite -5.80 -6.96 -1.16 MgSO4:H2O Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O O2(g) -0.70 -3.59 -2.89 O2 Sulfur -106.03 -101.15 4.88 S @@ -943,19 +943,19 @@ Using pure phase assemblage 1. Pure-phase assemblage after simulation 5. Moles in assemblage 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 -17.08 -17.08 1.569e+00 1.569e+00 3.059e-07 +Calcite -0.01 -8.49 -8.48 0.000e+00 0 0.000e+00 +Dolomite 0.00 -17.08 -17.08 1.567e+00 1.567e+00 3.988e-07 ------------------------------Surface composition------------------------------ Diffuse Double Layer Surface-Complexation Model Surf - 2.271e-03 Surface charge, eq - 1.218e-02 sigma, C/m² - 4.731e-02 psi, V - -1.842e+00 -F*psi/RT - 1.586e-01 exp(-F*psi/RT) + 2.452e-03 Surface charge, eq + 1.314e-02 sigma, C/m² + 5.022e-02 psi, V + -1.955e+00 -F*psi/RT + 1.416e-01 exp(-F*psi/RT) 6.000e+02 specific area, m²/g 1.800e+04 m² for 3.000e+01 g @@ -965,12 +965,12 @@ Surf Mole Log Species Moles Fraction Molality Molality - SurfOH 4.967e-02 0.710 4.967e-02 -1.304 - SurfOH2+ 1.376e-02 0.197 1.376e-02 -1.861 - SurfO- 4.108e-03 0.059 4.108e-03 -2.386 - SurfOHAsO4-3 2.458e-03 0.035 2.458e-03 -2.609 - SurfHAsO4- 4.223e-06 0.000 4.223e-06 -5.374 - SurfH2AsO4 3.785e-08 0.000 3.785e-08 -7.422 + SurfOH 5.085e-02 0.726 5.086e-02 -1.294 + SurfOH2+ 1.263e-02 0.180 1.263e-02 -1.899 + SurfO- 4.692e-03 0.067 4.693e-03 -2.329 + SurfOHAsO4-3 1.826e-03 0.026 1.826e-03 -2.738 + SurfHAsO4- 2.521e-06 0.000 2.521e-06 -5.598 + SurfH2AsO4 2.025e-08 0.000 2.025e-08 -7.694 -----------------------------Exchange composition------------------------------ @@ -979,114 +979,114 @@ X 1.000e+00 mol Equiv- Equivalent Log Species Moles alents Fraction Gamma - CaX2 3.379e-01 6.758e-01 6.758e-01 -0.171 - MgX2 1.616e-01 3.232e-01 3.232e-01 -0.168 - NaX 9.561e-04 9.561e-04 9.561e-04 -0.043 + CaX2 3.368e-01 6.735e-01 6.735e-01 -0.171 + MgX2 1.628e-01 3.255e-01 3.255e-01 -0.168 + NaX 9.536e-04 9.536e-04 9.536e-04 -0.043 -----------------------------Solution composition------------------------------ Elements Molality Moles - As 3.537e-10 3.537e-10 - C 7.132e-03 7.132e-03 - Ca 1.861e-03 1.861e-03 + As 1.837e-10 1.837e-10 + C 7.050e-03 7.050e-03 + Ca 1.803e-03 1.803e-03 Cl 1.337e-04 1.337e-04 - Mg 1.414e-03 1.414e-03 + Mg 1.431e-03 1.431e-03 Na 1.227e-04 1.227e-04 S 2.351e-04 2.351e-04 ----------------------------Description of solution---------------------------- - pH = 7.048 Charge balance - pe = 13.574 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 603 - Density (g/cm³) = 0.99747 + pH = 7.046 Charge balance + pe = 13.576 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 602 + Density (g/cm³) = 0.99746 Volume (L) = 1.00305 Viscosity (mPa s) = 0.89401 Activity of water = 1.000 - Ionic strength (mol/kgw) = 9.647e-03 + Ionic strength (mol/kgw) = 9.645e-03 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 6.069e-03 - Total CO2 (mol/kg) = 7.132e-03 + Total alkalinity (eq/kg) = 5.987e-03 + Total CO2 (mol/kg) = 7.050e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.623e-09 + Electrical balance (eq) = 7.167e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 13 + Iterations = 11 Total H = 1.110125e+02 - Total O = 5.552498e+01 + Total O = 5.552477e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.253e-07 1.129e-07 -6.902 -6.947 -0.045 -4.04 - H+ 9.797e-08 8.960e-08 -7.009 -7.048 -0.039 0.00 + OH- 1.248e-07 1.125e-07 -6.904 -6.949 -0.045 -4.04 + H+ 9.833e-08 8.993e-08 -7.007 -7.046 -0.039 0.00 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 -As 3.537e-10 - HAsO4-2 2.207e-10 1.470e-10 -9.656 -9.833 -0.177 (0) - H2AsO4- 1.330e-10 1.201e-10 -9.876 -9.920 -0.044 (0) - AsO4-3 1.295e-14 5.188e-15 -13.888 -14.285 -0.397 (0) - H3AsO4 1.866e-15 1.870e-15 -14.729 -14.728 0.001 (0) +As 1.837e-10 + HAsO4-2 1.145e-10 7.625e-11 -9.941 -10.118 -0.177 (0) + H2AsO4- 6.923e-11 6.254e-11 -10.160 -10.204 -0.044 (0) + AsO4-3 6.692e-15 2.681e-15 -14.174 -14.572 -0.397 (0) + H3AsO4 9.752e-16 9.773e-16 -15.011 -15.010 0.001 (0) C(-4) 0.000e+00 CH4 0.000e+00 0.000e+00 -143.556 -143.555 0.001 35.46 -C(4) 7.132e-03 - HCO3- 5.894e-03 5.343e-03 -2.230 -2.272 -0.043 24.65 - CO2 1.075e-03 1.076e-03 -2.969 -2.968 0.001 34.43 - CaHCO3+ 8.825e-05 8.012e-05 -4.054 -4.096 -0.042 9.72 - MgHCO3+ 6.207e-05 5.605e-05 -4.207 -4.251 -0.044 5.53 - CaCO3 5.510e-06 5.522e-06 -5.259 -5.258 0.001 -14.60 - CO3-2 4.142e-06 2.796e-06 -5.383 -5.553 -0.171 -3.67 - MgCO3 2.387e-06 2.392e-06 -5.622 -5.621 0.001 -17.09 - NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73 - (CO2)2 2.122e-08 2.127e-08 -7.673 -7.672 0.001 68.87 -Ca 1.861e-03 - Ca+2 1.742e-03 1.175e-03 -2.759 -2.930 -0.171 -17.93 - CaHCO3+ 8.825e-05 8.012e-05 -4.054 -4.096 -0.042 9.72 - CaSO4 2.535e-05 2.541e-05 -4.596 -4.595 0.001 7.50 - CaCO3 5.510e-06 5.522e-06 -5.259 -5.258 0.001 -14.60 - CaOH+ 2.410e-09 2.177e-09 -8.618 -8.662 -0.044 (0) - CaHSO4+ 1.657e-11 1.496e-11 -10.781 -10.825 -0.044 (0) +C(4) 7.050e-03 + HCO3- 5.873e-03 5.324e-03 -2.231 -2.274 -0.043 24.65 + CO2 1.075e-03 1.077e-03 -2.969 -2.968 0.001 34.43 + MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53 + CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 122.69 + CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60 + CO3-2 4.113e-06 2.776e-06 -5.386 -5.557 -0.171 -3.67 + MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09 + NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73 + (CO2)2 2.123e-08 2.128e-08 -7.673 -7.672 0.001 68.87 +Ca 1.803e-03 + Ca+2 1.746e-03 1.178e-03 -2.758 -2.929 -0.171 -17.93 + CaHCO3+ 2.664e-05 2.418e-05 -4.574 -4.616 -0.042 122.69 + CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50 + CaCO3 5.481e-06 5.493e-06 -5.261 -5.260 0.001 -14.60 + CaOH+ 2.405e-09 2.173e-09 -8.619 -8.663 -0.044 (0) + CaHSO4+ 1.663e-11 1.502e-11 -10.779 -10.823 -0.044 (0) Cl 1.337e-04 Cl- 1.337e-04 1.206e-04 -3.874 -3.919 -0.045 18.14 - HCl 3.688e-12 3.724e-12 -11.433 -11.429 0.004 (0) + HCl 3.702e-12 3.737e-12 -11.432 -11.427 0.004 (0) H(0) 0.000e+00 H2 0.000e+00 0.000e+00 -44.395 -44.394 0.001 28.61 -Mg 1.414e-03 - Mg+2 1.321e-03 8.965e-04 -2.879 -3.047 -0.168 -21.62 - MgHCO3+ 6.207e-05 5.605e-05 -4.207 -4.251 -0.044 5.53 - MgSO4 2.841e-05 2.854e-05 -4.547 -4.545 0.002 -7.92 - MgCO3 2.387e-06 2.392e-06 -5.622 -5.621 0.001 -17.09 - MgOH+ 3.996e-08 3.632e-08 -7.398 -7.440 -0.041 (0) - Mg(SO4)2-2 1.663e-08 1.143e-08 -7.779 -7.942 -0.163 6.69 +Mg 1.431e-03 + Mg+2 1.337e-03 9.078e-04 -2.874 -3.042 -0.168 -21.62 + MgHCO3+ 6.263e-05 5.655e-05 -4.203 -4.248 -0.044 5.53 + MgSO4 2.872e-05 2.885e-05 -4.542 -4.540 0.002 -7.92 + MgCO3 2.400e-06 2.405e-06 -5.620 -5.619 0.001 -17.09 + MgOH+ 4.031e-08 3.664e-08 -7.395 -7.436 -0.041 (0) + Mg(SO4)2-2 1.678e-08 1.153e-08 -7.775 -7.938 -0.163 6.68 Na 1.227e-04 - Na+ 1.219e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 - NaHCO3 5.111e-07 5.134e-07 -6.291 -6.290 0.002 31.73 - NaSO4- 2.408e-07 2.183e-07 -6.618 -6.661 -0.043 -15.24 - NaOH 1.243e-21 1.246e-21 -20.905 -20.904 0.001 (0) + Na+ 1.220e-04 1.103e-04 -3.914 -3.957 -0.043 -1.38 + NaHCO3 5.093e-07 5.116e-07 -6.293 -6.291 0.002 31.73 + NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24 + NaOH 1.239e-21 1.242e-21 -20.907 -20.906 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 -142.245 -142.290 -0.045 20.67 - H2S 0.000e+00 0.000e+00 -142.397 -142.396 0.001 36.27 - S-2 0.000e+00 0.000e+00 -147.988 -148.160 -0.173 (0) - (H2S)2 0.000e+00 0.000e+00 -286.071 -286.070 0.001 30.09 + HS- 0.000e+00 0.000e+00 -142.244 -142.289 -0.045 20.67 + H2S 0.000e+00 0.000e+00 -142.394 -142.393 0.001 36.27 + S-2 0.000e+00 0.000e+00 -147.988 -148.161 -0.173 (0) + (H2S)2 0.000e+00 0.000e+00 -286.066 -286.065 0.001 30.09 S(6) 2.351e-04 - SO4-2 1.810e-04 1.216e-04 -3.742 -3.915 -0.173 17.83 - MgSO4 2.841e-05 2.854e-05 -4.547 -4.545 0.002 -7.92 - CaSO4 2.535e-05 2.541e-05 -4.596 -4.595 0.001 7.50 - NaSO4- 2.408e-07 2.183e-07 -6.618 -6.661 -0.043 -15.24 - Mg(SO4)2-2 1.663e-08 1.143e-08 -7.779 -7.942 -0.163 6.69 - HSO4- 1.172e-09 1.059e-09 -8.931 -8.975 -0.044 40.34 - CaHSO4+ 1.657e-11 1.496e-11 -10.781 -10.825 -0.044 (0) + SO4-2 1.807e-04 1.214e-04 -3.743 -3.916 -0.173 17.83 + MgSO4 2.872e-05 2.885e-05 -4.542 -4.540 0.002 -7.92 + CaSO4 2.536e-05 2.542e-05 -4.596 -4.595 0.001 7.50 + NaSO4- 2.404e-07 2.180e-07 -6.619 -6.662 -0.043 -15.24 + Mg(SO4)2-2 1.678e-08 1.153e-08 -7.775 -7.938 -0.163 6.68 + HSO4- 1.175e-09 1.061e-09 -8.930 -8.974 -0.044 40.34 + CaHSO4+ 1.663e-11 1.502e-11 -10.779 -10.823 -0.044 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -2.57 -6.84 -4.28 CaSO4 - Aragonite -0.15 -8.48 -8.34 CaCO3 - Calcite -0.00 -8.48 -8.48 CaCO3 + Aragonite -0.15 -8.49 -8.34 CaCO3 + Calcite -0.01 -8.49 -8.48 CaCO3 CH4(g) -140.75 -143.55 -2.80 CH4 CO2(g) -1.50 -2.97 -1.47 CO2 Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 @@ -1096,7 +1096,7 @@ S(6) 2.351e-04 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -141.40 -149.34 -7.94 H2S Halite -9.45 -7.88 1.57 NaCl - Hexahydrite -5.40 -6.96 -1.57 MgSO4:6H2O + Hexahydrite -5.39 -6.96 -1.57 MgSO4:6H2O Kieserite -5.80 -6.96 -1.16 MgSO4:H2O Mirabilite -10.59 -11.83 -1.24 Na2SO4:10H2O O2(g) -0.70 -3.59 -2.89 O2 diff --git a/ex14.sel b/ex14.sel index 03767844..ee307064 100644 --- a/ex14.sel +++ b/ex14.sel @@ -1,202 +1,202 @@ step m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs - 1 4.6311e-01 1.6336e-01 5.4020e+00 2.5000e-02 5.8810e+00 0.0000e+00 - 1 3.3982e-04 2.4501e-04 9.3753e-02 1.5319e-03 7.2305e+00 2.5031e+00 - 2 2.7841e-05 1.8927e-05 2.3197e-02 1.8488e-01 8.6742e+00 2.5029e+00 - 3 1.4871e-05 9.3459e-06 1.4410e-02 1.2141e+00 9.1757e+00 2.5017e+00 - 4 1.2989e-05 7.9525e-06 1.2379e-02 2.0465e+00 9.3176e+00 2.4996e+00 - 5 1.2586e-05 7.6552e-06 1.1597e-02 2.3837e+00 9.3589e+00 2.4972e+00 - 6 1.2614e-05 7.6785e-06 1.1209e-02 2.4314e+00 9.3635e+00 2.4948e+00 - 7 1.2816e-05 7.8309e-06 1.0979e-02 2.3487e+00 9.3532e+00 2.4925e+00 - 8 1.3101e-05 8.0448e-06 1.0819e-02 2.2165e+00 9.3364e+00 2.4902e+00 - 9 1.3431e-05 8.2921e-06 1.0692e-02 2.0706e+00 9.3171e+00 2.4882e+00 - 10 1.3789e-05 8.5605e-06 1.0584e-02 1.9262e+00 9.2967e+00 2.4863e+00 - 11 1.4169e-05 8.8445e-06 1.0486e-02 1.7887e+00 9.2760e+00 2.4845e+00 - 12 1.4566e-05 9.1422e-06 1.0396e-02 1.6601e+00 9.2553e+00 2.4828e+00 - 13 1.4981e-05 9.4529e-06 1.0312e-02 1.5405e+00 9.2346e+00 2.4813e+00 - 14 1.5413e-05 9.7768e-06 1.0232e-02 1.4295e+00 9.2141e+00 2.4798e+00 - 15 1.5863e-05 1.0114e-05 1.0156e-02 1.3265e+00 9.1937e+00 2.4785e+00 - 16 1.6333e-05 1.0466e-05 1.0083e-02 1.2309e+00 9.1734e+00 2.4773e+00 - 17 1.6823e-05 1.0834e-05 1.0014e-02 1.1422e+00 9.1532e+00 2.4761e+00 - 18 1.7335e-05 1.1217e-05 9.9480e-03 1.0598e+00 9.1331e+00 2.4751e+00 - 19 1.7870e-05 1.1618e-05 9.8848e-03 9.8312e-01 9.1130e+00 2.4741e+00 - 20 1.8430e-05 1.2037e-05 9.8243e-03 9.1184e-01 9.0929e+00 2.4732e+00 - 21 1.9015e-05 1.2476e-05 9.7662e-03 8.4551e-01 9.0729e+00 2.4723e+00 - 22 1.9628e-05 1.2936e-05 9.7104e-03 7.8377e-01 9.0528e+00 2.4716e+00 - 23 2.0271e-05 1.3417e-05 9.6568e-03 7.2629e-01 9.0328e+00 2.4708e+00 - 24 2.0946e-05 1.3923e-05 9.6051e-03 6.7276e-01 9.0127e+00 2.4702e+00 - 25 2.1654e-05 1.4453e-05 9.5553e-03 6.2290e-01 8.9926e+00 2.4695e+00 - 26 2.2398e-05 1.5011e-05 9.5073e-03 5.7646e-01 8.9724e+00 2.4690e+00 - 27 2.3180e-05 1.5597e-05 9.4609e-03 5.3321e-01 8.9522e+00 2.4684e+00 - 28 2.4003e-05 1.6214e-05 9.4160e-03 4.9293e-01 8.9319e+00 2.4679e+00 - 29 2.4869e-05 1.6863e-05 9.3725e-03 4.5542e-01 8.9115e+00 2.4675e+00 - 30 2.5782e-05 1.7548e-05 9.3303e-03 4.2050e-01 8.8910e+00 2.4671e+00 - 31 2.6746e-05 1.8269e-05 9.2894e-03 3.8799e-01 8.8704e+00 2.4667e+00 - 32 2.7762e-05 1.9031e-05 9.2497e-03 3.5775e-01 8.8496e+00 2.4663e+00 - 33 2.8836e-05 1.9836e-05 9.2109e-03 3.2961e-01 8.8288e+00 2.4660e+00 - 34 2.9971e-05 2.0687e-05 9.1732e-03 3.0345e-01 8.8078e+00 2.4657e+00 - 35 3.1172e-05 2.1587e-05 9.1363e-03 2.7914e-01 8.7866e+00 2.4654e+00 - 36 3.2444e-05 2.2540e-05 9.1003e-03 2.5656e-01 8.7653e+00 2.4651e+00 - 37 3.3792e-05 2.3551e-05 9.0650e-03 2.3559e-01 8.7438e+00 2.4649e+00 - 38 3.5222e-05 2.4622e-05 9.0303e-03 2.1614e-01 8.7221e+00 2.4647e+00 - 39 3.6740e-05 2.5760e-05 8.9962e-03 1.9810e-01 8.7002e+00 2.4645e+00 - 40 3.8353e-05 2.6969e-05 8.9626e-03 1.8138e-01 8.6781e+00 2.4643e+00 - 41 4.0068e-05 2.8254e-05 8.9294e-03 1.6591e-01 8.6558e+00 2.4641e+00 - 42 4.1894e-05 2.9623e-05 8.8965e-03 1.5159e-01 8.6333e+00 2.4640e+00 - 43 4.3840e-05 3.1081e-05 8.8639e-03 1.3835e-01 8.6105e+00 2.4638e+00 - 44 4.5915e-05 3.2636e-05 8.8314e-03 1.2613e-01 8.5875e+00 2.4637e+00 - 45 4.8130e-05 3.4296e-05 8.7990e-03 1.1485e-01 8.5643e+00 2.4636e+00 - 46 5.0496e-05 3.6070e-05 8.7665e-03 1.0445e-01 8.5407e+00 2.4635e+00 - 47 5.3028e-05 3.7968e-05 8.7339e-03 9.4876e-02 8.5169e+00 2.4634e+00 - 48 5.5738e-05 3.9999e-05 8.7011e-03 8.6070e-02 8.4928e+00 2.4633e+00 - 49 5.8643e-05 4.2176e-05 8.6679e-03 7.7978e-02 8.4685e+00 2.4632e+00 - 50 6.1760e-05 4.4512e-05 8.6342e-03 7.0553e-02 8.4438e+00 2.4632e+00 - 51 6.5107e-05 4.7021e-05 8.6000e-03 6.3747e-02 8.4188e+00 2.4631e+00 - 52 6.8705e-05 4.9718e-05 8.5650e-03 5.7517e-02 8.3935e+00 2.4631e+00 - 53 7.2578e-05 5.2621e-05 8.5292e-03 5.1822e-02 8.3678e+00 2.4630e+00 - 54 7.6750e-05 5.5748e-05 8.4923e-03 4.6624e-02 8.3418e+00 2.4630e+00 - 55 8.1250e-05 5.9121e-05 8.4542e-03 4.1886e-02 8.3155e+00 2.4629e+00 - 56 8.6108e-05 6.2763e-05 8.4147e-03 3.7574e-02 8.2888e+00 2.4629e+00 - 57 9.1359e-05 6.6699e-05 8.3737e-03 3.3655e-02 8.2617e+00 2.4628e+00 - 58 9.7040e-05 7.0957e-05 8.3308e-03 3.0101e-02 8.2343e+00 2.4628e+00 - 59 1.0319e-04 7.5569e-05 8.2860e-03 2.6881e-02 8.2065e+00 2.4628e+00 - 60 1.0986e-04 8.0568e-05 8.2388e-03 2.3971e-02 8.1784e+00 2.4628e+00 - 61 1.1710e-04 8.5993e-05 8.1891e-03 2.1344e-02 8.1498e+00 2.4627e+00 - 62 1.2496e-04 9.1886e-05 8.1366e-03 1.8978e-02 8.1209e+00 2.4627e+00 - 63 1.3350e-04 9.8292e-05 8.0809e-03 1.6851e-02 8.0916e+00 2.4627e+00 - 64 1.4280e-04 1.0526e-04 8.0217e-03 1.4942e-02 8.0620e+00 2.4627e+00 - 65 1.5292e-04 1.1285e-04 7.9586e-03 1.3233e-02 8.0320e+00 2.4627e+00 - 66 1.6395e-04 1.2111e-04 7.8912e-03 1.1705e-02 8.0016e+00 2.4627e+00 - 67 1.7596e-04 1.3012e-04 7.8192e-03 1.0342e-02 7.9709e+00 2.4627e+00 - 68 1.8907e-04 1.3994e-04 7.7420e-03 9.1295e-03 7.9399e+00 2.4626e+00 - 69 2.0336e-04 1.5066e-04 7.6592e-03 8.0524e-03 7.9087e+00 2.4626e+00 - 70 2.1894e-04 1.6234e-04 7.5703e-03 7.0978e-03 7.8771e+00 2.4626e+00 - 71 2.3593e-04 1.7508e-04 7.4748e-03 6.2535e-03 7.8454e+00 2.4626e+00 - 72 2.5446e-04 1.8897e-04 7.3722e-03 5.5084e-03 7.8135e+00 2.4626e+00 - 73 2.7463e-04 2.0409e-04 7.2618e-03 4.8521e-03 7.7814e+00 2.4626e+00 - 74 2.9659e-04 2.2055e-04 7.1434e-03 4.2752e-03 7.7493e+00 2.4626e+00 - 75 3.2045e-04 2.3845e-04 7.0162e-03 3.7691e-03 7.7172e+00 2.4626e+00 - 76 3.4635e-04 2.5786e-04 6.8800e-03 3.3259e-03 7.6851e+00 2.4626e+00 - 77 3.7440e-04 2.7889e-04 6.7342e-03 2.9386e-03 7.6532e+00 2.4626e+00 - 78 4.0470e-04 3.0161e-04 6.5786e-03 2.6006e-03 7.6215e+00 2.4626e+00 - 79 4.3734e-04 3.2608e-04 6.4130e-03 2.3060e-03 7.5901e+00 2.4626e+00 - 80 4.7239e-04 3.5236e-04 6.2372e-03 2.0498e-03 7.5592e+00 2.4626e+00 - 81 5.0989e-04 3.8047e-04 6.0514e-03 1.8271e-03 7.5287e+00 2.4626e+00 - 82 5.4982e-04 4.1041e-04 5.8558e-03 1.6337e-03 7.4988e+00 2.4626e+00 - 83 5.9216e-04 4.4215e-04 5.6508e-03 1.4660e-03 7.4697e+00 2.4626e+00 - 84 6.3681e-04 4.7562e-04 5.4371e-03 1.3206e-03 7.4413e+00 2.4626e+00 - 85 6.8364e-04 5.1072e-04 5.2154e-03 1.1946e-03 7.4138e+00 2.4626e+00 - 86 7.3244e-04 5.4730e-04 4.9870e-03 1.0855e-03 7.3873e+00 2.4626e+00 - 87 7.8274e-04 5.8543e-04 4.7528e-03 9.9091e-04 7.3618e+00 2.4626e+00 - 88 8.3380e-04 6.2532e-04 4.5141e-03 9.0878e-04 7.3374e+00 2.4626e+00 - 89 8.8593e-04 6.6610e-04 4.2730e-03 8.3762e-04 7.3142e+00 2.4626e+00 - 90 9.3873e-04 7.0745e-04 4.0310e-03 7.7596e-04 7.2921e+00 2.4626e+00 - 91 9.9182e-04 7.4907e-04 3.7899e-03 7.2250e-04 7.2714e+00 2.4626e+00 - 92 1.0448e-03 7.9064e-04 3.5514e-03 6.7611e-04 7.2519e+00 2.4626e+00 - 93 1.0973e-03 8.3185e-04 3.3171e-03 6.3583e-04 7.2337e+00 2.4626e+00 - 94 1.1489e-03 8.7238e-04 3.0885e-03 6.0081e-04 7.2167e+00 2.4626e+00 - 95 1.1992e-03 9.1197e-04 2.8670e-03 5.7034e-04 7.2009e+00 2.4626e+00 - 96 1.2480e-03 9.5035e-04 2.6538e-03 5.4379e-04 7.1864e+00 2.4626e+00 - 97 1.2950e-03 9.8730e-04 2.4499e-03 5.2064e-04 7.1730e+00 2.4626e+00 - 98 1.3399e-03 1.0226e-03 2.2561e-03 5.0043e-04 7.1607e+00 2.4626e+00 - 99 1.3826e-03 1.0562e-03 2.0729e-03 4.8276e-04 7.1494e+00 2.4626e+00 - 100 1.4229e-03 1.0879e-03 1.9008e-03 4.6730e-04 7.1392e+00 2.4626e+00 - 101 1.4608e-03 1.1177e-03 1.7399e-03 4.5375e-04 7.1298e+00 2.4626e+00 - 102 1.4962e-03 1.1456e-03 1.5901e-03 4.4188e-04 7.1214e+00 2.4626e+00 - 103 1.5291e-03 1.1715e-03 1.4514e-03 4.3145e-04 7.1137e+00 2.4626e+00 - 104 1.5596e-03 1.1954e-03 1.3234e-03 4.2230e-04 7.1067e+00 2.4626e+00 - 105 1.5877e-03 1.2175e-03 1.2058e-03 4.1425e-04 7.1005e+00 2.4626e+00 - 106 1.6136e-03 1.2378e-03 1.0981e-03 4.0716e-04 7.0948e+00 2.4626e+00 - 107 1.6372e-03 1.2563e-03 9.9978e-04 4.0092e-04 7.0897e+00 2.4626e+00 - 108 1.6589e-03 1.2732e-03 9.1028e-04 3.9542e-04 7.0852e+00 2.4626e+00 - 109 1.6785e-03 1.2885e-03 8.2903e-04 3.9057e-04 7.0811e+00 2.4626e+00 - 110 1.6964e-03 1.3025e-03 7.5545e-04 3.8630e-04 7.0774e+00 2.4626e+00 - 111 1.7126e-03 1.3151e-03 6.8895e-04 3.8252e-04 7.0742e+00 2.4626e+00 - 112 1.7273e-03 1.3264e-03 6.2897e-04 3.7919e-04 7.0712e+00 2.4626e+00 - 113 1.7405e-03 1.3366e-03 5.7496e-04 3.7624e-04 7.0686e+00 2.4626e+00 - 114 1.7524e-03 1.3458e-03 5.2642e-04 3.7363e-04 7.0663e+00 2.4626e+00 - 115 1.7631e-03 1.3541e-03 4.8284e-04 3.7133e-04 7.0642e+00 2.4626e+00 - 116 1.7727e-03 1.3615e-03 4.4378e-04 3.6929e-04 7.0624e+00 2.4626e+00 - 117 1.7814e-03 1.3681e-03 4.0879e-04 3.6749e-04 7.0607e+00 2.4626e+00 - 118 1.7892e-03 1.3740e-03 3.7750e-04 3.6590e-04 7.0592e+00 2.4626e+00 - 119 1.7961e-03 1.3792e-03 3.4953e-04 3.6449e-04 7.0579e+00 2.4626e+00 - 120 1.8024e-03 1.3839e-03 3.2455e-04 3.6324e-04 7.0568e+00 2.4626e+00 - 121 1.8080e-03 1.3880e-03 3.0226e-04 3.6213e-04 7.0557e+00 2.4626e+00 - 122 1.8130e-03 1.3917e-03 2.8239e-04 3.6115e-04 7.0548e+00 2.4626e+00 - 123 1.8174e-03 1.3950e-03 2.6467e-04 3.6028e-04 7.0540e+00 2.4626e+00 - 124 1.8214e-03 1.3979e-03 2.4889e-04 3.5952e-04 7.0533e+00 2.4626e+00 - 125 1.8250e-03 1.4005e-03 2.3484e-04 3.5883e-04 7.0526e+00 2.4626e+00 - 126 1.8282e-03 1.4028e-03 2.2233e-04 3.5823e-04 7.0520e+00 2.4626e+00 - 127 1.8311e-03 1.4048e-03 2.1121e-04 3.5770e-04 7.0515e+00 2.4626e+00 - 128 1.8337e-03 1.4066e-03 2.0131e-04 3.5723e-04 7.0511e+00 2.4626e+00 - 129 1.8360e-03 1.4081e-03 1.9251e-04 3.5681e-04 7.0507e+00 2.4626e+00 - 130 1.8380e-03 1.4095e-03 1.8469e-04 3.5644e-04 7.0503e+00 2.4626e+00 - 131 1.8399e-03 1.4107e-03 1.7774e-04 3.5611e-04 7.0500e+00 2.4626e+00 - 132 1.8415e-03 1.4118e-03 1.7156e-04 3.5582e-04 7.0497e+00 2.4626e+00 - 133 1.8430e-03 1.4127e-03 1.6607e-04 3.5556e-04 7.0495e+00 2.4626e+00 - 134 1.8444e-03 1.4135e-03 1.6120e-04 3.5533e-04 7.0493e+00 2.4626e+00 - 135 1.8456e-03 1.4142e-03 1.5687e-04 3.5513e-04 7.0491e+00 2.4626e+00 - 136 1.8467e-03 1.4148e-03 1.5302e-04 3.5495e-04 7.0489e+00 2.4626e+00 - 137 1.8476e-03 1.4153e-03 1.4961e-04 3.5479e-04 7.0488e+00 2.4626e+00 - 138 1.8485e-03 1.4158e-03 1.4658e-04 3.5465e-04 7.0486e+00 2.4626e+00 - 139 1.8493e-03 1.4162e-03 1.4389e-04 3.5453e-04 7.0485e+00 2.4626e+00 - 140 1.8500e-03 1.4165e-03 1.4150e-04 3.5442e-04 7.0484e+00 2.4626e+00 - 141 1.8507e-03 1.4168e-03 1.3938e-04 3.5433e-04 7.0483e+00 2.4626e+00 - 142 1.8513e-03 1.4170e-03 1.3750e-04 3.5424e-04 7.0482e+00 2.4626e+00 - 143 1.8519e-03 1.4172e-03 1.3583e-04 3.5417e-04 7.0481e+00 2.4626e+00 - 144 1.8524e-03 1.4174e-03 1.3435e-04 3.5410e-04 7.0481e+00 2.4626e+00 - 145 1.8528e-03 1.4175e-03 1.3303e-04 3.5404e-04 7.0480e+00 2.4626e+00 - 146 1.8532e-03 1.4176e-03 1.3187e-04 3.5399e-04 7.0480e+00 2.4626e+00 - 147 1.8536e-03 1.4177e-03 1.3083e-04 3.5394e-04 7.0479e+00 2.4626e+00 - 148 1.8540e-03 1.4177e-03 1.2991e-04 3.5390e-04 7.0479e+00 2.4626e+00 - 149 1.8543e-03 1.4177e-03 1.2910e-04 3.5387e-04 7.0479e+00 2.4626e+00 - 150 1.8546e-03 1.4178e-03 1.2837e-04 3.5384e-04 7.0478e+00 2.4626e+00 - 151 1.8549e-03 1.4178e-03 1.2773e-04 3.5381e-04 7.0478e+00 2.4626e+00 - 152 1.8552e-03 1.4177e-03 1.2716e-04 3.5379e-04 7.0478e+00 2.4626e+00 - 153 1.8554e-03 1.4177e-03 1.2666e-04 3.5377e-04 7.0478e+00 2.4626e+00 - 154 1.8557e-03 1.4177e-03 1.2621e-04 3.5375e-04 7.0477e+00 2.4626e+00 - 155 1.8559e-03 1.4176e-03 1.2581e-04 3.5374e-04 7.0477e+00 2.4626e+00 - 156 1.8561e-03 1.4176e-03 1.2546e-04 3.5372e-04 7.0477e+00 2.4626e+00 - 157 1.8563e-03 1.4175e-03 1.2514e-04 3.5371e-04 7.0477e+00 2.4626e+00 - 158 1.8565e-03 1.4175e-03 1.2487e-04 3.5370e-04 7.0477e+00 2.4626e+00 - 159 1.8567e-03 1.4174e-03 1.2462e-04 3.5369e-04 7.0477e+00 2.4626e+00 - 160 1.8568e-03 1.4173e-03 1.2440e-04 3.5369e-04 7.0477e+00 2.4626e+00 - 161 1.8570e-03 1.4173e-03 1.2421e-04 3.5368e-04 7.0477e+00 2.4626e+00 - 162 1.8572e-03 1.4172e-03 1.2404e-04 3.5368e-04 7.0477e+00 2.4626e+00 - 163 1.8573e-03 1.4171e-03 1.2388e-04 3.5367e-04 7.0477e+00 2.4626e+00 - 164 1.8575e-03 1.4170e-03 1.2375e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 165 1.8576e-03 1.4169e-03 1.2363e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 166 1.8578e-03 1.4168e-03 1.2352e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 167 1.8579e-03 1.4167e-03 1.2343e-04 3.5366e-04 7.0477e+00 2.4625e+00 - 168 1.8580e-03 1.4166e-03 1.2334e-04 3.5366e-04 7.0477e+00 2.4625e+00 - 169 1.8582e-03 1.4165e-03 1.2327e-04 3.5366e-04 7.0477e+00 2.4625e+00 - 170 1.8583e-03 1.4165e-03 1.2320e-04 3.5366e-04 7.0477e+00 2.4625e+00 - 171 1.8584e-03 1.4164e-03 1.2314e-04 3.5366e-04 7.0477e+00 2.4625e+00 - 172 1.8586e-03 1.4163e-03 1.2309e-04 3.5366e-04 7.0477e+00 2.4625e+00 - 173 1.8587e-03 1.4162e-03 1.2304e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 174 1.8588e-03 1.4161e-03 1.2300e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 175 1.8589e-03 1.4160e-03 1.2297e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 176 1.8590e-03 1.4159e-03 1.2294e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 177 1.8591e-03 1.4158e-03 1.2291e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 178 1.8593e-03 1.4157e-03 1.2288e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 179 1.8594e-03 1.4156e-03 1.2286e-04 3.5367e-04 7.0477e+00 2.4625e+00 - 180 1.8595e-03 1.4155e-03 1.2284e-04 3.5368e-04 7.0477e+00 2.4625e+00 - 181 1.8596e-03 1.4154e-03 1.2282e-04 3.5368e-04 7.0477e+00 2.4625e+00 - 182 1.8597e-03 1.4153e-03 1.2281e-04 3.5368e-04 7.0477e+00 2.4625e+00 - 183 1.8598e-03 1.4152e-03 1.2279e-04 3.5368e-04 7.0477e+00 2.4625e+00 - 184 1.8599e-03 1.4151e-03 1.2278e-04 3.5369e-04 7.0477e+00 2.4625e+00 - 185 1.8600e-03 1.4150e-03 1.2277e-04 3.5369e-04 7.0477e+00 2.4625e+00 - 186 1.8601e-03 1.4149e-03 1.2276e-04 3.5369e-04 7.0477e+00 2.4625e+00 - 187 1.8602e-03 1.4148e-03 1.2275e-04 3.5369e-04 7.0477e+00 2.4625e+00 - 188 1.8603e-03 1.4147e-03 1.2274e-04 3.5369e-04 7.0477e+00 2.4625e+00 - 189 1.8604e-03 1.4146e-03 1.2274e-04 3.5370e-04 7.0477e+00 2.4625e+00 - 190 1.8605e-03 1.4145e-03 1.2273e-04 3.5370e-04 7.0477e+00 2.4625e+00 - 191 1.8606e-03 1.4145e-03 1.2272e-04 3.5370e-04 7.0477e+00 2.4625e+00 - 192 1.8607e-03 1.4144e-03 1.2272e-04 3.5370e-04 7.0477e+00 2.4625e+00 - 193 1.8608e-03 1.4143e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00 - 194 1.8609e-03 1.4142e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00 - 195 1.8610e-03 1.4141e-03 1.2271e-04 3.5371e-04 7.0477e+00 2.4625e+00 - 196 1.8611e-03 1.4140e-03 1.2270e-04 3.5371e-04 7.0477e+00 2.4625e+00 - 197 1.8612e-03 1.4139e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00 - 198 1.8613e-03 1.4138e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00 - 199 1.8614e-03 1.4137e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00 - 200 1.8615e-03 1.4137e-03 1.2270e-04 3.5372e-04 7.0477e+00 2.4625e+00 + 1 4.6224e-01 1.6417e-01 5.4020e+00 2.5000e-02 5.7200e+00 0.0000e+00 + 1 3.4012e-04 2.8376e-04 9.8893e-02 6.9061e-04 7.1604e+00 1.8502e+00 + 2 2.8798e-05 2.0914e-05 2.4017e-02 7.7563e-02 8.6169e+00 1.8501e+00 + 3 1.4730e-05 9.6045e-06 1.4376e-02 6.0687e-01 9.1600e+00 1.8495e+00 + 4 1.2797e-05 8.0657e-06 1.2262e-02 1.0664e+00 9.3111e+00 1.8485e+00 + 5 1.2388e-05 7.7402e-06 1.1473e-02 1.2555e+00 9.3547e+00 1.8472e+00 + 6 1.2412e-05 7.7568e-06 1.1090e-02 1.2842e+00 9.3600e+00 1.8459e+00 + 7 1.2606e-05 7.9080e-06 1.0866e-02 1.2413e+00 9.3499e+00 1.8447e+00 + 8 1.2879e-05 8.1219e-06 1.0710e-02 1.1714e+00 9.3334e+00 1.8435e+00 + 9 1.3195e-05 8.3693e-06 1.0588e-02 1.0944e+00 9.3143e+00 1.8424e+00 + 10 1.3537e-05 8.6376e-06 1.0483e-02 1.0181e+00 9.2942e+00 1.8414e+00 + 11 1.3899e-05 8.9215e-06 1.0388e-02 9.4559e-01 9.2738e+00 1.8405e+00 + 12 1.4278e-05 9.2189e-06 1.0300e-02 8.7770e-01 9.2533e+00 1.8396e+00 + 13 1.4674e-05 9.5292e-06 1.0218e-02 8.1456e-01 9.2330e+00 1.8388e+00 + 14 1.5086e-05 9.8526e-06 1.0139e-02 7.5594e-01 9.2127e+00 1.8380e+00 + 15 1.5516e-05 1.0190e-05 1.0065e-02 7.0154e-01 9.1925e+00 1.8373e+00 + 16 1.5964e-05 1.0541e-05 9.9941e-03 6.5104e-01 9.1725e+00 1.8367e+00 + 17 1.6431e-05 1.0908e-05 9.9263e-03 6.0413e-01 9.1525e+00 1.8361e+00 + 18 1.6919e-05 1.1291e-05 9.8615e-03 5.6054e-01 9.1325e+00 1.8355e+00 + 19 1.7429e-05 1.1691e-05 9.7994e-03 5.2000e-01 9.1127e+00 1.8350e+00 + 20 1.7963e-05 1.2109e-05 9.7399e-03 4.8229e-01 9.0928e+00 1.8345e+00 + 21 1.8521e-05 1.2547e-05 9.6827e-03 4.4720e-01 9.0729e+00 1.8340e+00 + 22 1.9106e-05 1.3006e-05 9.6278e-03 4.1452e-01 9.0531e+00 1.8336e+00 + 23 1.9719e-05 1.3487e-05 9.5749e-03 3.8410e-01 9.0332e+00 1.8332e+00 + 24 2.0362e-05 1.3991e-05 9.5240e-03 3.5576e-01 9.0133e+00 1.8329e+00 + 25 2.1037e-05 1.4521e-05 9.4749e-03 3.2937e-01 8.9934e+00 1.8326e+00 + 26 2.1746e-05 1.5077e-05 9.4275e-03 3.0479e-01 8.9733e+00 1.8323e+00 + 27 2.2492e-05 1.5662e-05 9.3817e-03 2.8190e-01 8.9533e+00 1.8320e+00 + 28 2.3276e-05 1.6277e-05 9.3374e-03 2.6057e-01 8.9331e+00 1.8317e+00 + 29 2.4102e-05 1.6925e-05 9.2944e-03 2.4072e-01 8.9128e+00 1.8315e+00 + 30 2.4972e-05 1.7607e-05 9.2528e-03 2.2224e-01 8.8925e+00 1.8313e+00 + 31 2.5890e-05 1.8327e-05 9.2123e-03 2.0503e-01 8.8720e+00 1.8310e+00 + 32 2.6858e-05 1.9087e-05 9.1730e-03 1.8903e-01 8.8514e+00 1.8309e+00 + 33 2.7881e-05 1.9889e-05 9.1347e-03 1.7414e-01 8.8307e+00 1.8307e+00 + 34 2.8963e-05 2.0738e-05 9.0973e-03 1.6030e-01 8.8098e+00 1.8305e+00 + 35 3.0107e-05 2.1635e-05 9.0608e-03 1.4744e-01 8.7887e+00 1.8304e+00 + 36 3.1318e-05 2.2585e-05 9.0251e-03 1.3549e-01 8.7675e+00 1.8302e+00 + 37 3.2602e-05 2.3592e-05 8.9902e-03 1.2440e-01 8.7461e+00 1.8301e+00 + 38 3.3964e-05 2.4659e-05 8.9558e-03 1.1412e-01 8.7246e+00 1.8300e+00 + 39 3.5409e-05 2.5793e-05 8.9221e-03 1.0458e-01 8.7028e+00 1.8299e+00 + 40 3.6945e-05 2.6997e-05 8.8888e-03 9.5744e-02 8.6808e+00 1.8298e+00 + 41 3.8578e-05 2.8278e-05 8.8559e-03 8.7564e-02 8.6586e+00 1.8297e+00 + 42 4.0316e-05 2.9641e-05 8.8234e-03 7.9998e-02 8.6362e+00 1.8296e+00 + 43 4.2168e-05 3.1093e-05 8.7911e-03 7.3004e-02 8.6136e+00 1.8296e+00 + 44 4.4143e-05 3.2641e-05 8.7589e-03 6.6546e-02 8.5907e+00 1.8295e+00 + 45 4.6251e-05 3.4294e-05 8.7268e-03 6.0588e-02 8.5675e+00 1.8294e+00 + 46 4.8503e-05 3.6060e-05 8.6947e-03 5.5097e-02 8.5441e+00 1.8294e+00 + 47 5.0912e-05 3.7949e-05 8.6625e-03 5.0041e-02 8.5204e+00 1.8293e+00 + 48 5.3491e-05 3.9971e-05 8.6300e-03 4.5392e-02 8.4964e+00 1.8293e+00 + 49 5.6256e-05 4.2138e-05 8.5972e-03 4.1120e-02 8.4721e+00 1.8292e+00 + 50 5.9221e-05 4.4462e-05 8.5640e-03 3.7201e-02 8.4475e+00 1.8292e+00 + 51 6.2406e-05 4.6958e-05 8.5301e-03 3.3609e-02 8.4226e+00 1.8292e+00 + 52 6.5830e-05 4.9642e-05 8.4956e-03 3.0322e-02 8.3973e+00 1.8291e+00 + 53 6.9514e-05 5.2529e-05 8.4602e-03 2.7317e-02 8.3718e+00 1.8291e+00 + 54 7.3485e-05 5.5640e-05 8.4238e-03 2.4574e-02 8.3459e+00 1.8291e+00 + 55 7.7766e-05 5.8996e-05 8.3863e-03 2.2075e-02 8.3196e+00 1.8291e+00 + 56 8.2389e-05 6.2618e-05 8.3474e-03 1.9801e-02 8.2930e+00 1.8290e+00 + 57 8.7386e-05 6.6532e-05 8.3070e-03 1.7734e-02 8.2660e+00 1.8290e+00 + 58 9.2793e-05 7.0768e-05 8.2648e-03 1.5859e-02 8.2386e+00 1.8290e+00 + 59 9.8649e-05 7.5354e-05 8.2207e-03 1.4162e-02 8.2109e+00 1.8290e+00 + 60 1.0500e-04 8.0327e-05 8.1743e-03 1.2627e-02 8.1828e+00 1.8290e+00 + 61 1.1189e-04 8.5723e-05 8.1255e-03 1.1242e-02 8.1543e+00 1.8290e+00 + 62 1.1938e-04 9.1584e-05 8.0738e-03 9.9950e-03 8.1254e+00 1.8290e+00 + 63 1.2751e-04 9.7956e-05 8.0191e-03 8.8736e-03 8.0962e+00 1.8290e+00 + 64 1.3637e-04 1.0489e-04 7.9610e-03 7.8674e-03 8.0666e+00 1.8289e+00 + 65 1.4602e-04 1.1244e-04 7.8991e-03 6.9663e-03 8.0366e+00 1.8289e+00 + 66 1.5653e-04 1.2066e-04 7.8330e-03 6.1611e-03 8.0062e+00 1.8289e+00 + 67 1.6799e-04 1.2963e-04 7.7623e-03 5.4429e-03 7.9756e+00 1.8289e+00 + 68 1.8049e-04 1.3940e-04 7.6865e-03 4.8037e-03 7.9446e+00 1.8289e+00 + 69 1.9413e-04 1.5007e-04 7.6053e-03 4.2361e-03 7.9133e+00 1.8289e+00 + 70 2.0902e-04 1.6170e-04 7.5180e-03 3.7330e-03 7.8817e+00 1.8289e+00 + 71 2.2526e-04 1.7439e-04 7.4242e-03 3.2880e-03 7.8499e+00 1.8289e+00 + 72 2.4297e-04 1.8823e-04 7.3235e-03 2.8954e-03 7.8180e+00 1.8289e+00 + 73 2.6228e-04 2.0331e-04 7.2151e-03 2.5496e-03 7.7859e+00 1.8289e+00 + 74 2.8331e-04 2.1973e-04 7.0987e-03 2.2456e-03 7.7537e+00 1.8289e+00 + 75 3.0619e-04 2.3759e-04 6.9737e-03 1.9790e-03 7.7214e+00 1.8289e+00 + 76 3.3104e-04 2.5698e-04 6.8397e-03 1.7456e-03 7.6893e+00 1.8289e+00 + 77 3.5798e-04 2.7798e-04 6.6963e-03 1.5416e-03 7.6572e+00 1.8289e+00 + 78 3.8711e-04 3.0069e-04 6.5431e-03 1.3636e-03 7.6254e+00 1.8289e+00 + 79 4.1854e-04 3.2518e-04 6.3799e-03 1.2085e-03 7.5938e+00 1.8289e+00 + 80 4.5223e-04 3.5158e-04 6.2066e-03 1.0736e-03 7.5627e+00 1.8289e+00 + 81 4.8765e-04 3.8060e-04 6.0223e-03 9.5591e-04 7.5319e+00 1.8289e+00 + 82 5.2542e-04 4.1158e-04 5.8285e-03 8.5381e-04 7.5017e+00 1.8289e+00 + 83 5.6547e-04 4.4448e-04 5.6253e-03 7.6535e-04 7.4722e+00 1.8289e+00 + 84 6.0773e-04 4.7922e-04 5.4134e-03 6.8877e-04 7.4435e+00 1.8289e+00 + 85 6.5205e-04 5.1570e-04 5.1935e-03 6.2251e-04 7.4157e+00 1.8289e+00 + 86 6.9826e-04 5.5377e-04 4.9668e-03 5.6518e-04 7.3888e+00 1.8289e+00 + 87 7.4613e-04 5.9324e-04 4.7345e-03 5.1559e-04 7.3631e+00 1.8289e+00 + 88 7.9538e-04 6.3387e-04 4.4979e-03 4.7268e-04 7.3385e+00 1.8289e+00 + 89 8.4568e-04 6.7540e-04 4.2586e-03 4.3553e-04 7.3150e+00 1.8289e+00 + 90 8.9670e-04 7.1753e-04 4.0183e-03 4.0336e-04 7.2928e+00 1.8289e+00 + 91 9.4805e-04 7.5995e-04 3.7788e-03 3.7548e-04 7.2719e+00 1.8289e+00 + 92 9.9935e-04 8.0234e-04 3.5416e-03 3.5130e-04 7.2522e+00 1.8289e+00 + 93 1.0502e-03 8.4437e-04 3.3084e-03 3.3030e-04 7.2338e+00 1.8289e+00 + 94 1.1003e-03 8.8573e-04 3.0808e-03 3.1206e-04 7.2167e+00 1.8289e+00 + 95 1.1492e-03 9.2613e-04 2.8602e-03 2.9619e-04 7.2008e+00 1.8289e+00 + 96 1.1966e-03 9.6531e-04 2.6478e-03 2.8237e-04 7.1861e+00 1.8289e+00 + 97 1.2423e-03 1.0030e-03 2.4445e-03 2.7032e-04 7.1726e+00 1.8289e+00 + 98 1.2860e-03 1.0391e-03 2.2513e-03 2.5980e-04 7.1602e+00 1.8289e+00 + 99 1.3276e-03 1.0734e-03 2.0686e-03 2.5061e-04 7.1488e+00 1.8289e+00 + 100 1.3669e-03 1.1058e-03 1.8968e-03 2.4257e-04 7.1384e+00 1.8289e+00 + 101 1.4039e-03 1.1362e-03 1.7362e-03 2.3553e-04 7.1290e+00 1.8289e+00 + 102 1.4385e-03 1.1646e-03 1.5868e-03 2.2936e-04 7.1204e+00 1.8289e+00 + 103 1.4707e-03 1.1910e-03 1.4483e-03 2.2395e-04 7.1126e+00 1.8289e+00 + 104 1.5005e-03 1.2155e-03 1.3205e-03 2.1920e-04 7.1056e+00 1.8289e+00 + 105 1.5280e-03 1.2380e-03 1.2031e-03 2.1502e-04 7.0993e+00 1.8289e+00 + 106 1.5533e-03 1.2586e-03 1.0956e-03 2.1134e-04 7.0936e+00 1.8289e+00 + 107 1.5765e-03 1.2775e-03 9.9741e-04 2.0810e-04 7.0885e+00 1.8289e+00 + 108 1.5977e-03 1.2947e-03 9.0805e-04 2.0525e-04 7.0839e+00 1.8289e+00 + 109 1.6170e-03 1.3104e-03 8.2693e-04 2.0274e-04 7.0797e+00 1.8289e+00 + 110 1.6345e-03 1.3245e-03 7.5347e-04 2.0052e-04 7.0760e+00 1.8289e+00 + 111 1.6505e-03 1.3373e-03 6.8709e-04 1.9857e-04 7.0727e+00 1.8289e+00 + 112 1.6648e-03 1.3488e-03 6.2722e-04 1.9684e-04 7.0698e+00 1.8289e+00 + 113 1.6779e-03 1.3592e-03 5.7333e-04 1.9531e-04 7.0671e+00 1.8289e+00 + 114 1.6896e-03 1.3685e-03 5.2489e-04 1.9396e-04 7.0648e+00 1.8289e+00 + 115 1.7002e-03 1.3768e-03 4.8141e-04 1.9277e-04 7.0627e+00 1.8289e+00 + 116 1.7097e-03 1.3843e-03 4.4244e-04 1.9172e-04 7.0608e+00 1.8289e+00 + 117 1.7182e-03 1.3909e-03 4.0755e-04 1.9079e-04 7.0591e+00 1.8289e+00 + 118 1.7259e-03 1.3968e-03 3.7634e-04 1.8996e-04 7.0577e+00 1.8289e+00 + 119 1.7328e-03 1.4021e-03 3.4845e-04 1.8923e-04 7.0563e+00 1.8289e+00 + 120 1.7390e-03 1.4068e-03 3.2355e-04 1.8859e-04 7.0552e+00 1.8289e+00 + 121 1.7445e-03 1.4109e-03 3.0134e-04 1.8802e-04 7.0541e+00 1.8289e+00 + 122 1.7495e-03 1.4146e-03 2.8153e-04 1.8751e-04 7.0532e+00 1.8289e+00 + 123 1.7540e-03 1.4179e-03 2.6388e-04 1.8706e-04 7.0524e+00 1.8289e+00 + 124 1.7580e-03 1.4207e-03 2.4816e-04 1.8667e-04 7.0516e+00 1.8289e+00 + 125 1.7616e-03 1.4233e-03 2.3417e-04 1.8632e-04 7.0510e+00 1.8289e+00 + 126 1.7648e-03 1.4255e-03 2.2171e-04 1.8600e-04 7.0504e+00 1.8289e+00 + 127 1.7677e-03 1.4274e-03 2.1064e-04 1.8573e-04 7.0499e+00 1.8289e+00 + 128 1.7703e-03 1.4292e-03 2.0079e-04 1.8549e-04 7.0494e+00 1.8289e+00 + 129 1.7727e-03 1.4307e-03 1.9203e-04 1.8527e-04 7.0490e+00 1.8289e+00 + 130 1.7748e-03 1.4320e-03 1.8425e-04 1.8508e-04 7.0487e+00 1.8289e+00 + 131 1.7767e-03 1.4331e-03 1.7733e-04 1.8491e-04 7.0484e+00 1.8289e+00 + 132 1.7784e-03 1.4341e-03 1.7119e-04 1.8476e-04 7.0481e+00 1.8289e+00 + 133 1.7799e-03 1.4349e-03 1.6574e-04 1.8463e-04 7.0478e+00 1.8289e+00 + 134 1.7813e-03 1.4357e-03 1.6089e-04 1.8451e-04 7.0476e+00 1.8289e+00 + 135 1.7826e-03 1.4363e-03 1.5659e-04 1.8441e-04 7.0474e+00 1.8289e+00 + 136 1.7838e-03 1.4368e-03 1.5277e-04 1.8432e-04 7.0473e+00 1.8289e+00 + 137 1.7848e-03 1.4373e-03 1.4938e-04 1.8424e-04 7.0471e+00 1.8289e+00 + 138 1.7858e-03 1.4376e-03 1.4637e-04 1.8417e-04 7.0470e+00 1.8289e+00 + 139 1.7866e-03 1.4379e-03 1.4370e-04 1.8411e-04 7.0468e+00 1.8289e+00 + 140 1.7874e-03 1.4382e-03 1.4133e-04 1.8405e-04 7.0467e+00 1.8289e+00 + 141 1.7882e-03 1.4384e-03 1.3922e-04 1.8400e-04 7.0467e+00 1.8289e+00 + 142 1.7888e-03 1.4385e-03 1.3736e-04 1.8396e-04 7.0466e+00 1.8289e+00 + 143 1.7895e-03 1.4386e-03 1.3570e-04 1.8392e-04 7.0465e+00 1.8289e+00 + 144 1.7900e-03 1.4387e-03 1.3423e-04 1.8389e-04 7.0464e+00 1.8289e+00 + 145 1.7906e-03 1.4388e-03 1.3293e-04 1.8386e-04 7.0464e+00 1.8289e+00 + 146 1.7911e-03 1.4388e-03 1.3177e-04 1.8383e-04 7.0463e+00 1.8289e+00 + 147 1.7915e-03 1.4388e-03 1.3075e-04 1.8381e-04 7.0463e+00 1.8289e+00 + 148 1.7920e-03 1.4387e-03 1.2983e-04 1.8379e-04 7.0462e+00 1.8289e+00 + 149 1.7924e-03 1.4387e-03 1.2903e-04 1.8377e-04 7.0462e+00 1.8289e+00 + 150 1.7928e-03 1.4386e-03 1.2831e-04 1.8376e-04 7.0462e+00 1.8289e+00 + 151 1.7931e-03 1.4385e-03 1.2768e-04 1.8375e-04 7.0462e+00 1.8289e+00 + 152 1.7935e-03 1.4384e-03 1.2711e-04 1.8373e-04 7.0461e+00 1.8289e+00 + 153 1.7938e-03 1.4383e-03 1.2661e-04 1.8372e-04 7.0461e+00 1.8289e+00 + 154 1.7941e-03 1.4382e-03 1.2617e-04 1.8372e-04 7.0461e+00 1.8289e+00 + 155 1.7944e-03 1.4381e-03 1.2578e-04 1.8371e-04 7.0461e+00 1.8289e+00 + 156 1.7947e-03 1.4380e-03 1.2543e-04 1.8370e-04 7.0461e+00 1.8289e+00 + 157 1.7950e-03 1.4378e-03 1.2512e-04 1.8370e-04 7.0461e+00 1.8289e+00 + 158 1.7953e-03 1.4377e-03 1.2484e-04 1.8369e-04 7.0461e+00 1.8289e+00 + 159 1.7955e-03 1.4376e-03 1.2460e-04 1.8369e-04 7.0461e+00 1.8289e+00 + 160 1.7958e-03 1.4374e-03 1.2438e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 161 1.7960e-03 1.4372e-03 1.2419e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 162 1.7963e-03 1.4371e-03 1.2402e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 163 1.7965e-03 1.4369e-03 1.2387e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 164 1.7967e-03 1.4368e-03 1.2374e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 165 1.7970e-03 1.4366e-03 1.2362e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 166 1.7972e-03 1.4364e-03 1.2351e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 167 1.7974e-03 1.4363e-03 1.2342e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 168 1.7976e-03 1.4361e-03 1.2334e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 169 1.7978e-03 1.4359e-03 1.2326e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 170 1.7980e-03 1.4358e-03 1.2320e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 171 1.7982e-03 1.4356e-03 1.2314e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 172 1.7984e-03 1.4354e-03 1.2309e-04 1.8368e-04 7.0460e+00 1.8289e+00 + 173 1.7986e-03 1.4353e-03 1.2304e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 174 1.7988e-03 1.4351e-03 1.2300e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 175 1.7990e-03 1.4349e-03 1.2297e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 176 1.7992e-03 1.4348e-03 1.2294e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 177 1.7993e-03 1.4346e-03 1.2291e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 178 1.7995e-03 1.4344e-03 1.2288e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 179 1.7997e-03 1.4343e-03 1.2286e-04 1.8369e-04 7.0460e+00 1.8289e+00 + 180 1.7999e-03 1.4341e-03 1.2284e-04 1.8370e-04 7.0461e+00 1.8289e+00 + 181 1.8001e-03 1.4339e-03 1.2282e-04 1.8370e-04 7.0461e+00 1.8289e+00 + 182 1.8002e-03 1.4338e-03 1.2281e-04 1.8370e-04 7.0461e+00 1.8289e+00 + 183 1.8004e-03 1.4336e-03 1.2279e-04 1.8370e-04 7.0461e+00 1.8289e+00 + 184 1.8006e-03 1.4335e-03 1.2278e-04 1.8370e-04 7.0461e+00 1.8289e+00 + 185 1.8008e-03 1.4333e-03 1.2277e-04 1.8371e-04 7.0461e+00 1.8289e+00 + 186 1.8009e-03 1.4331e-03 1.2276e-04 1.8371e-04 7.0461e+00 1.8289e+00 + 187 1.8011e-03 1.4330e-03 1.2275e-04 1.8371e-04 7.0461e+00 1.8289e+00 + 188 1.8013e-03 1.4328e-03 1.2275e-04 1.8371e-04 7.0461e+00 1.8289e+00 + 189 1.8014e-03 1.4327e-03 1.2274e-04 1.8371e-04 7.0461e+00 1.8289e+00 + 190 1.8016e-03 1.4325e-03 1.2273e-04 1.8371e-04 7.0461e+00 1.8289e+00 + 191 1.8018e-03 1.4324e-03 1.2273e-04 1.8372e-04 7.0461e+00 1.8289e+00 + 192 1.8019e-03 1.4322e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00 + 193 1.8021e-03 1.4321e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00 + 194 1.8022e-03 1.4319e-03 1.2272e-04 1.8372e-04 7.0461e+00 1.8289e+00 + 195 1.8024e-03 1.4318e-03 1.2271e-04 1.8372e-04 7.0461e+00 1.8289e+00 + 196 1.8025e-03 1.4316e-03 1.2271e-04 1.8373e-04 7.0461e+00 1.8289e+00 + 197 1.8027e-03 1.4315e-03 1.2271e-04 1.8373e-04 7.0461e+00 1.8289e+00 + 198 1.8028e-03 1.4313e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00 + 199 1.8030e-03 1.4312e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00 + 200 1.8032e-03 1.4310e-03 1.2270e-04 1.8373e-04 7.0461e+00 1.8289e+00 diff --git a/ex16.out b/ex16.out index 14f1f55a..b6bac07b 100644 --- a/ex16.out +++ b/ex16.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -84,14 +84,14 @@ Initial solution 1. Volume (L) = 1.00300 Viscosity (mPa s) = 0.89038 Activity of water = 1.000 - Ionic strength (mol/kgw) = 4.851e-04 + Ionic strength (mol/kgw) = 4.855e-04 Mass of water (kg) = 1.000e+00 - Total carbon (mol/kg) = 7.825e-04 - Total CO2 (mol/kg) = 7.825e-04 + Total carbon (mol/kg) = 7.828e-04 + Total CO2 (mol/kg) = 7.828e-04 Temperature (°C) = 25.00 Electrical balance (eq) = 1.400e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.90 - Iterations = 7 + Iterations = 8 Total H = 1.110139e+02 Total O = 5.550924e+01 @@ -103,24 +103,24 @@ 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) 7.825e-04 - CO2 4.540e-04 4.540e-04 -3.343 -3.343 0.000 34.43 - HCO3- 3.281e-04 3.200e-04 -3.484 -3.495 -0.011 24.57 - CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66 - MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47 - NaHCO3 3.640e-08 3.641e-08 -7.439 -7.439 0.000 31.73 - CO3-2 2.628e-08 2.379e-08 -7.580 -7.624 -0.043 -3.97 - KHCO3 3.902e-09 3.902e-09 -8.409 -8.409 0.000 41.03 - (CO2)2 3.783e-09 3.783e-09 -8.422 -8.422 0.000 68.87 - 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 +C(4) 7.828e-04 + CO2 4.542e-04 4.543e-04 -3.343 -3.343 0.000 34.43 + HCO3- 3.283e-04 3.202e-04 -3.484 -3.495 -0.011 24.57 + MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47 + CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 122.63 + NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73 + CO3-2 2.629e-08 2.380e-08 -7.580 -7.623 -0.043 -3.97 + KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03 + (CO2)2 3.787e-09 3.788e-09 -8.422 -8.422 0.000 68.87 + CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60 + MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09 Ca 7.800e-05 - Ca+2 7.760e-05 7.023e-05 -4.110 -4.153 -0.043 -18.17 - CaHCO3+ 2.940e-07 2.868e-07 -6.532 -6.542 -0.011 9.66 - CaSO4 1.108e-07 1.108e-07 -6.955 -6.955 0.000 7.50 - CaCO3 2.806e-09 2.806e-09 -8.552 -8.552 0.000 -14.60 - CaOH+ 1.894e-11 1.847e-11 -10.723 -10.733 -0.011 (0) - CaHSO4+ 4.713e-13 4.596e-13 -12.327 -12.338 -0.011 (0) + Ca+2 7.780e-05 7.042e-05 -4.109 -4.152 -0.043 -18.17 + CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50 + CaHCO3+ 8.916e-08 8.698e-08 -7.050 -7.061 -0.011 122.63 + CaCO3 2.815e-09 2.815e-09 -8.550 -8.550 0.000 -14.60 + CaOH+ 1.899e-11 1.852e-11 -10.721 -10.732 -0.011 (0) + CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0) Cl 1.400e-05 Cl- 1.400e-05 1.365e-05 -4.854 -4.865 -0.011 18.07 HCl 2.966e-12 2.967e-12 -11.528 -11.528 0.000 (0) @@ -128,31 +128,31 @@ H(0) 5.636e-24 H2 2.818e-24 2.818e-24 -23.550 -23.550 0.000 28.61 K 2.800e-05 K+ 2.799e-05 2.730e-05 -4.553 -4.564 -0.011 9.00 - KHCO3 3.902e-09 3.902e-09 -8.409 -8.409 0.000 41.03 + KHCO3 3.904e-09 3.904e-09 -8.408 -8.408 0.000 41.03 KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13 Mg 2.900e-05 Mg+2 2.884e-05 2.611e-05 -4.540 -4.583 -0.043 -21.86 - MgHCO3+ 1.003e-07 9.778e-08 -6.999 -7.010 -0.011 5.47 - MgSO4 6.066e-08 6.067e-08 -7.217 -7.217 0.000 -7.92 - MgCO3 5.927e-10 5.927e-10 -9.227 -9.227 0.000 -17.09 + MgHCO3+ 1.003e-07 9.784e-08 -6.999 -7.009 -0.011 5.47 + MgSO4 6.065e-08 6.066e-08 -7.217 -7.217 0.000 -7.92 + MgCO3 5.930e-10 5.931e-10 -9.227 -9.227 0.000 -17.09 MgOH+ 1.540e-10 1.503e-10 -9.812 -9.823 -0.011 (0) - Mg(SO4)2-2 1.957e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04 + Mg(SO4)2-2 1.956e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04 Na 1.340e-04 Na+ 1.339e-04 1.306e-04 -3.873 -3.884 -0.011 -1.49 - NaHCO3 3.640e-08 3.641e-08 -7.439 -7.439 0.000 31.73 + NaHCO3 3.643e-08 3.643e-08 -7.439 -7.438 0.000 31.73 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 NaOH 2.095e-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 9.805e-06 8.873e-06 -5.009 -5.052 -0.043 15.25 - CaSO4 1.108e-07 1.108e-07 -6.955 -6.955 0.000 7.50 - MgSO4 6.066e-08 6.067e-08 -7.217 -7.217 0.000 -7.92 + SO4-2 9.805e-06 8.872e-06 -5.009 -5.052 -0.043 15.25 + CaSO4 1.111e-07 1.111e-07 -6.954 -6.954 0.000 7.50 + MgSO4 6.065e-08 6.066e-08 -7.217 -7.217 0.000 -7.92 NaSO4- 1.934e-08 1.887e-08 -7.713 -7.724 -0.011 -22.22 KSO4- 3.777e-09 3.685e-09 -8.423 -8.434 -0.011 14.13 - HSO4- 5.582e-10 5.443e-10 -9.253 -9.264 -0.011 40.27 - Mg(SO4)2-2 1.957e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04 - CaHSO4+ 4.713e-13 4.596e-13 -12.327 -12.338 -0.011 (0) + HSO4- 5.581e-10 5.443e-10 -9.253 -9.264 -0.011 40.27 + Mg(SO4)2-2 1.956e-12 1.773e-12 -11.709 -11.751 -0.043 -8.04 + CaHSO4+ 4.725e-13 4.608e-13 -12.326 -12.337 -0.011 (0) Si 2.730e-04 H4SiO4 2.729e-04 2.730e-04 -3.564 -3.564 0.000 52.08 H3SiO4- 6.542e-08 6.379e-08 -7.184 -7.195 -0.011 27.96 @@ -162,7 +162,7 @@ Si 2.730e-04 Phase SI** log IAP log K(298 K, 1 atm) - Anhydrite -4.93 -9.21 -4.28 CaSO4 + Anhydrite -4.93 -9.20 -4.28 CaSO4 Aragonite -3.44 -11.78 -8.34 CaCO3 Arcanite -12.30 -14.18 -1.88 K2SO4 Calcite -3.30 -11.78 -8.48 CaCO3 @@ -171,7 +171,7 @@ Si 2.730e-04 CO2(g) -1.87 -3.34 -1.47 CO2 Dolomite -6.90 -23.98 -17.08 CaMg(CO3)2 Epsomite -7.90 -9.64 -1.74 MgSO4:7H2O - Gypsum -4.62 -9.21 -4.58 CaSO4:2H2O + Gypsum -4.62 -9.20 -4.58 CaSO4:2H2O H2(g) -20.45 -23.55 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Halite -10.32 -8.75 1.57 NaCl @@ -214,14 +214,14 @@ Initial solution 2. Volume (L) = 1.00301 Viscosity (mPa s) = 0.89080 Activity of water = 1.000 - Ionic strength (mol/kgw) = 1.313e-03 + Ionic strength (mol/kgw) = 1.317e-03 Mass of water (kg) = 1.000e+00 - Total carbon (mol/kg) = 1.199e-03 - Total CO2 (mol/kg) = 1.199e-03 + Total carbon (mol/kg) = 1.200e-03 + Total CO2 (mol/kg) = 1.200e-03 Temperature (°C) = 25.00 Electrical balance (eq) = -1.400e-05 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.73 - Iterations = 6 (13 overall) + Iterations = 6 (14 overall) Total H = 1.110150e+02 Total O = 5.551125e+01 @@ -231,26 +231,26 @@ Initial solution 2. Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.647e-07 1.585e-07 -6.783 -6.800 -0.017 0.00 - OH- 6.652e-08 6.386e-08 -7.177 -7.195 -0.018 -4.10 + OH- 6.653e-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- 8.907e-04 8.558e-04 -3.050 -3.068 -0.017 24.58 - CO2 3.049e-04 3.050e-04 -3.516 -3.516 0.000 34.43 - CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68 - MgHCO3+ 6.230e-07 5.982e-07 -6.206 -6.223 -0.018 5.48 - CO3-2 2.971e-07 2.532e-07 -6.527 -6.597 -0.069 -3.92 - NaHCO3 1.851e-07 1.852e-07 -6.733 -6.732 0.000 31.73 - CaCO3 9.299e-08 9.302e-08 -7.032 -7.031 0.000 -14.60 - KHCO3 1.467e-08 1.467e-08 -7.834 -7.834 0.000 41.03 - MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09 - (CO2)2 1.706e-09 1.707e-09 -8.768 -8.768 0.000 68.87 +C(4) 1.200e-03 + HCO3- 8.924e-04 8.574e-04 -3.049 -3.067 -0.017 24.58 + CO2 3.055e-04 3.055e-04 -3.515 -3.515 0.000 34.43 + CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 122.64 + MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48 + CO3-2 2.978e-07 2.537e-07 -6.526 -6.596 -0.070 -3.92 + NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 + CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60 + KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03 + MgCO3 1.446e-08 1.446e-08 -7.840 -7.840 0.000 -17.09 + (CO2)2 1.713e-09 1.713e-09 -8.766 -8.766 0.000 68.87 Ca 2.600e-04 - Ca+2 2.567e-04 2.187e-04 -3.591 -3.660 -0.070 -18.13 - CaHCO3+ 2.484e-06 2.387e-06 -5.605 -5.622 -0.017 9.68 - CaSO4 7.878e-07 7.880e-07 -6.104 -6.103 0.000 7.50 - CaCO3 9.299e-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+ 8.550e-13 8.209e-13 -12.068 -12.086 -0.018 (0) + Ca+2 2.584e-04 2.201e-04 -3.588 -3.657 -0.070 -18.13 + CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50 + CaHCO3+ 7.574e-07 7.279e-07 -6.121 -6.138 -0.017 122.64 + CaCO3 9.377e-08 9.380e-08 -7.028 -7.028 0.000 -14.60 + CaOH+ 2.400e-10 2.305e-10 -9.620 -9.637 -0.018 (0) + CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0) Cl 3.000e-05 Cl- 3.000e-05 2.880e-05 -4.523 -4.541 -0.018 18.08 HCl 1.571e-12 1.573e-12 -11.804 -11.803 0.001 (0) @@ -258,48 +258,48 @@ 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+ 3.998e-05 3.838e-05 -4.398 -4.416 -0.018 9.01 - KHCO3 1.467e-08 1.467e-08 -7.834 -7.834 0.000 41.03 - KSO4- 1.231e-08 1.183e-08 -7.910 -7.927 -0.017 14.15 + KHCO3 1.470e-08 1.470e-08 -7.833 -7.833 0.000 41.03 + KSO4- 1.230e-08 1.183e-08 -7.910 -7.927 -0.017 14.15 Mg 7.101e-05 - Mg+2 7.005e-05 5.974e-05 -4.155 -4.224 -0.069 -21.81 - MgHCO3+ 6.230e-07 5.982e-07 -6.206 -6.223 -0.018 5.48 - MgSO4 3.168e-07 3.170e-07 -6.499 -6.499 0.000 -7.92 - MgCO3 1.443e-08 1.444e-08 -7.841 -7.841 0.000 -17.09 - MgOH+ 1.424e-09 1.369e-09 -8.847 -8.864 -0.017 (0) - Mg(SO4)2-2 2.476e-11 2.116e-11 -10.606 -10.675 -0.068 -3.36 + Mg+2 7.005e-05 5.973e-05 -4.155 -4.224 -0.069 -21.81 + MgHCO3+ 6.241e-07 5.992e-07 -6.205 -6.222 -0.018 5.48 + MgSO4 3.166e-07 3.168e-07 -6.499 -6.499 0.000 -7.92 + MgCO3 1.446e-08 1.446e-08 -7.840 -7.840 0.000 -17.09 + MgOH+ 1.424e-09 1.368e-09 -8.847 -8.864 -0.017 (0) + Mg(SO4)2-2 2.474e-11 2.114e-11 -10.607 -10.675 -0.068 -3.35 Na 2.590e-04 Na+ 2.588e-04 2.485e-04 -3.587 -3.605 -0.018 -1.47 - NaHCO3 1.851e-07 1.852e-07 -6.733 -6.732 0.000 31.73 - NaSO4- 8.532e-08 8.198e-08 -7.069 -7.086 -0.017 -20.41 + NaHCO3 1.855e-07 1.856e-07 -6.732 -6.731 0.000 31.73 + NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40 NaOH 1.587e-21 1.587e-21 -20.800 -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 2.380e-05 2.026e-05 -4.623 -4.693 -0.070 15.76 - CaSO4 7.878e-07 7.880e-07 -6.104 -6.103 0.000 7.50 - MgSO4 3.168e-07 3.170e-07 -6.499 -6.499 0.000 -7.92 - NaSO4- 8.532e-08 8.198e-08 -7.069 -7.086 -0.017 -20.41 - KSO4- 1.231e-08 1.183e-08 -7.910 -7.927 -0.017 14.15 - HSO4- 3.252e-10 3.123e-10 -9.488 -9.505 -0.018 40.28 - Mg(SO4)2-2 2.476e-11 2.116e-11 -10.606 -10.675 -0.068 -3.36 - CaHSO4+ 8.550e-13 8.209e-13 -12.068 -12.086 -0.018 (0) + SO4-2 2.380e-05 2.026e-05 -4.624 -4.693 -0.070 15.76 + CaSO4 7.926e-07 7.928e-07 -6.101 -6.101 0.000 7.50 + MgSO4 3.166e-07 3.168e-07 -6.499 -6.499 0.000 -7.92 + NaSO4- 8.529e-08 8.195e-08 -7.069 -7.086 -0.017 -20.40 + KSO4- 1.230e-08 1.183e-08 -7.910 -7.927 -0.017 14.15 + HSO4- 3.251e-10 3.121e-10 -9.488 -9.506 -0.018 40.28 + Mg(SO4)2-2 2.474e-11 2.114e-11 -10.607 -10.675 -0.068 -3.35 + CaHSO4+ 8.602e-13 8.260e-13 -12.065 -12.083 -0.018 (0) 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 - H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.069 (0) + H2SiO4-2 1.920e-13 1.636e-13 -12.717 -12.786 -0.070 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Anhydrite -4.08 -8.35 -4.28 CaSO4 - Aragonite -1.92 -10.26 -8.34 CaCO3 + Anhydrite -4.07 -8.35 -4.28 CaSO4 + Aragonite -1.92 -10.25 -8.34 CaCO3 Arcanite -11.65 -13.53 -1.88 K2SO4 - Calcite -1.78 -10.26 -8.48 CaCO3 + Calcite -1.77 -10.25 -8.48 CaCO3 Chalcedony 0.16 -3.39 -3.55 SiO2 Chrysotile -10.85 21.35 32.20 Mg3Si2O5(OH)4 - CO2(g) -2.05 -3.52 -1.47 CO2 - Dolomite -3.99 -21.08 -17.08 CaMg(CO3)2 + CO2(g) -2.05 -3.51 -1.47 CO2 + Dolomite -3.99 -21.07 -17.08 CaMg(CO3)2 Epsomite -7.18 -8.92 -1.74 MgSO4:7H2O Gypsum -3.77 -8.35 -4.58 CaSO4:2H2O H2(g) -21.65 -24.75 -3.10 H2 @@ -333,7 +333,7 @@ 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) 7.825e-04 + 0.000e+00 = 7.825e-04 + C(4) 7.828e-04 + 0.000e+00 = 7.828e-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 @@ -352,7 +352,7 @@ Solution 2: Al 0.000e+00 + 0.000e+00 = 0.000e+00 Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 1.199e-03 + 0.000e+00 = 1.199e-03 + C(4) 1.200e-03 + 0.000e+00 = 1.200e-03 Ca 2.600e-04 + 0.000e+00 = 2.600e-04 Cl 3.000e-05 + 0.000e+00 = 3.000e-05 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 @@ -373,8 +373,8 @@ Phase mole transfers: Minimum Maximum Formula Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77) Kaolinite -3.392e-05 -5.587e-05 -1.224e-05 Al2Si2O5(OH)4 ( , ) Ca-Montmorillon -8.090e-05 -1.100e-04 -5.154e-05 Ca0.165Al2.33Si3.67O10(OH ( , ) - CO2(g) 3.006e-04 2.363e-04 3.656e-04 CO2 ( -1.87, -2.05) - Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.78) + CO2(g) 3.009e-04 2.365e-04 3.659e-04 CO2 ( -1.87, -2.05) + Calcite 1.161e-04 1.007e-04 1.309e-04 CaCO3 ( -3.30, -1.77) Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , ) Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , ) @@ -395,7 +395,7 @@ 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) 7.825e-04 + 0.000e+00 = 7.825e-04 + C(4) 7.828e-04 + 0.000e+00 = 7.828e-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 @@ -414,7 +414,7 @@ Solution 2: Al 0.000e+00 + 0.000e+00 = 0.000e+00 Alkalinity 8.951e-04 + -1.480e-05 = 8.803e-04 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 1.199e-03 + 0.000e+00 = 1.199e-03 + C(4) 1.200e-03 + 0.000e+00 = 1.200e-03 Ca 2.600e-04 + 0.000e+00 = 2.600e-04 Cl 3.000e-05 + 0.000e+00 = 3.000e-05 H(0) 0.000e+00 + 0.000e+00 = 0.000e+00 @@ -434,8 +434,8 @@ Phase mole transfers: Minimum Maximum Formula Halite 1.600e-05 1.490e-05 1.710e-05 NaCl (-10.32, -9.72) Gypsum 1.500e-05 1.413e-05 1.588e-05 CaSO4:2H2O ( -4.62, -3.77) Kaolinite -1.282e-04 -1.403e-04 -1.159e-04 Al2Si2O5(OH)4 ( , ) - CO2(g) 3.140e-04 2.490e-04 3.795e-04 CO2 ( -1.87, -2.05) - Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.78) + CO2(g) 3.143e-04 2.493e-04 3.798e-04 CO2 ( -1.87, -2.05) + Calcite 1.028e-04 8.680e-05 1.182e-04 CaCO3 ( -3.30, -1.77) Chalcedony -1.084e-04 -1.473e-04 -6.906e-05 SiO2 ( -0.01, 0.16) Biotite 1.370e-05 1.317e-05 1.370e-05 KMg3AlSi3O10(OH)2 ( , ) Plagioclase 1.758e-04 1.582e-04 1.935e-04 Na0.62Ca0.38Al1.38Si2.62O ( , ) diff --git a/ex17.out b/ex17.out index d3673e9a..261b7534 100644 --- a/ex17.out +++ b/ex17.out @@ -14,6 +14,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES + MEAN_GAMMAS END ------------------------------------ Reading input data for simulation 1. @@ -90,7 +91,7 @@ Initial solution 1. Black Sea water pH = 8.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 29775 + Specific Conductance (µS/cm, 25°C) = 29777 Density (g/cm³) = 1.01091 Volume (L) = 1.00789 Viscosity (mPa s) = 0.92658 @@ -212,7 +213,7 @@ Initial solution 2. Composition during halite precipitation pH = 5.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 149839 + Specific Conductance (µS/cm, 25°C) = 150248 Density (g/cm³) = 1.27237 Volume (L) = 1.13163 Viscosity (mPa s) = 3.75438 diff --git a/ex17b.out b/ex17b.out index 4eec2395..1d5ea13f 100644 --- a/ex17b.out +++ b/ex17b.out @@ -14,6 +14,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES + MEAN_GAMMAS END ------------------------------------ Reading input data for simulation 1. @@ -92,7 +93,7 @@ Initial solution 1. Black Sea water pH = 8.000 pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 29775 + Specific Conductance (µS/cm, 25°C) = 29777 Density (g/cm³) = 1.01091 Volume (L) = 1.00789 Viscosity (mPa s) = 0.92658 @@ -255,7 +256,7 @@ Polyhalite -9.73 -23.47 -13.74 0.000e+00 0 0.000e+00 pH = 8.000 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 29775 + Specific Conductance (µS/cm, 25°C) = 29777 Density (g/cm³) = 1.01091 Volume (L) = 1.00789 Viscosity (mPa s) = 0.92658 @@ -414,7 +415,7 @@ Polyhalite -7.26 -21.00 -13.74 0.000e+00 0 0.000e+00 pH = 7.848 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 73054 + Specific Conductance (µS/cm, 25°C) = 73063 Density (g/cm³) = 1.03527 Volume (L) = 0.35767 Viscosity (mPa s) = 0.99372 @@ -573,7 +574,7 @@ Polyhalite -6.70 -20.44 -13.74 0.000e+00 0 0.000e+00 pH = 7.793 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 88022 + Specific Conductance (µS/cm, 25°C) = 88035 Density (g/cm³) = 1.04464 Volume (L) = 0.28547 Viscosity (mPa s) = 1.02215 @@ -732,7 +733,7 @@ Polyhalite -5.93 -19.68 -13.74 0.000e+00 0 0.000e+00 pH = 7.710 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 110997 + Specific Conductance (µS/cm, 25°C) = 111017 Density (g/cm³) = 1.06016 Volume (L) = 0.21331 Viscosity (mPa s) = 1.07296 @@ -891,7 +892,7 @@ Polyhalite -4.92 -18.67 -13.74 0.000e+00 0 0.000e+00 pH = 7.595 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 149856 + Specific Conductance (µS/cm, 25°C) = 149892 Density (g/cm³) = 1.09018 Volume (L) = 0.14120 Viscosity (mPa s) = 1.18635 @@ -1050,7 +1051,7 @@ Polyhalite -4.70 -18.44 -13.74 0.000e+00 0 0.000e+00 pH = 7.573 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 163778 + Specific Conductance (µS/cm, 25°C) = 163822 Density (g/cm³) = 1.10237 Volume (L) = 0.12317 Viscosity (mPa s) = 1.23905 @@ -1209,7 +1210,7 @@ Polyhalite -4.40 -18.15 -13.74 0.000e+00 0 0.000e+00 pH = 7.546 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 180007 + Specific Conductance (µS/cm, 25°C) = 180062 Density (g/cm³) = 1.11850 Volume (L) = 0.10515 Viscosity (mPa s) = 1.31607 @@ -1368,7 +1369,7 @@ Polyhalite -4.00 -17.74 -13.74 0.000e+00 0 0.000e+00 pH = 7.508 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 198384 + Specific Conductance (µS/cm, 25°C) = 198454 Density (g/cm³) = 1.14090 Volume (L) = 0.08716 Viscosity (mPa s) = 1.43886 @@ -1527,7 +1528,7 @@ Polyhalite -3.38 -17.12 -13.74 0.000e+00 0 0.000e+00 pH = 7.454 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 216929 + Specific Conductance (µS/cm, 25°C) = 217024 Density (g/cm³) = 1.17419 Volume (L) = 0.06922 Viscosity (mPa s) = 1.66307 @@ -1686,7 +1687,7 @@ Polyhalite -2.55 -16.29 -13.74 0.000e+00 0 0.000e+00 pH = 7.359 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 226117 + Specific Conductance (µS/cm, 25°C) = 226248 Density (g/cm³) = 1.21418 Volume (L) = 0.05088 Viscosity (mPa s) = 2.03087 @@ -1845,7 +1846,7 @@ Polyhalite -1.68 -15.43 -13.74 0.000e+00 0 0.000e+00 pH = 7.364 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 214023 + Specific Conductance (µS/cm, 25°C) = 214242 Density (g/cm³) = 1.21997 Volume (L) = 0.03050 Viscosity (mPa s) = 2.19817 @@ -2004,7 +2005,7 @@ Polyhalite -1.34 -15.08 -13.74 0.000e+00 0 0.000e+00 pH = 7.367 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 207654 + Specific Conductance (µS/cm, 25°C) = 207916 Density (g/cm³) = 1.22336 Volume (L) = 0.02541 Viscosity (mPa s) = 2.30055 @@ -2163,7 +2164,7 @@ Polyhalite -0.87 -14.62 -13.74 0.000e+00 0 0.000e+00 pH = 7.371 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 197529 + Specific Conductance (µS/cm, 25°C) = 197853 Density (g/cm³) = 1.22919 Volume (L) = 0.02033 Viscosity (mPa s) = 2.48495 @@ -2322,7 +2323,7 @@ Polyhalite -0.42 -14.16 -13.74 0.000e+00 0 0.000e+00 pH = 7.375 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 185821 + Specific Conductance (µS/cm, 25°C) = 186206 Density (g/cm³) = 1.23656 Volume (L) = 0.01675 Viscosity (mPa s) = 2.73450 @@ -2481,7 +2482,7 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00 pH = 7.377 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 181272 + Specific Conductance (µS/cm, 25°C) = 181678 Density (g/cm³) = 1.23961 Volume (L) = 0.01574 Viscosity (mPa s) = 2.84317 @@ -2640,7 +2641,7 @@ Polyhalite -0.08 -13.82 -13.74 0.000e+00 0 0.000e+00 pH = 7.379 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 175925 + Specific Conductance (µS/cm, 25°C) = 176353 Density (g/cm³) = 1.24332 Volume (L) = 0.01472 Viscosity (mPa s) = 2.98015 @@ -2799,7 +2800,7 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 2.746e-04 2.746e-04 pH = 7.379 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 169804 + Specific Conductance (µS/cm, 25°C) = 170258 Density (g/cm³) = 1.24638 Volume (L) = 0.01369 Viscosity (mPa s) = 3.12540 @@ -2958,7 +2959,7 @@ Polyhalite 0.00 -13.74 -13.74 2.746e-04 7.008e-04 4.262e-04 pH = 7.378 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 162768 + Specific Conductance (µS/cm, 25°C) = 163252 Density (g/cm³) = 1.24930 Volume (L) = 0.01264 Viscosity (mPa s) = 3.29229 @@ -3117,7 +3118,7 @@ Polyhalite 0.00 -13.74 -13.74 7.008e-04 9.425e-04 2.417e-04 pH = 7.377 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 157939 + Specific Conductance (µS/cm, 25°C) = 158442 Density (g/cm³) = 1.25155 Volume (L) = 0.01201 Viscosity (mPa s) = 3.41850 @@ -3276,7 +3277,7 @@ Polyhalite 0.00 -13.74 -13.74 9.425e-04 1.172e-03 2.296e-04 pH = 7.376 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 152554 + Specific Conductance (µS/cm, 25°C) = 153077 Density (g/cm³) = 1.25429 Volume (L) = 0.01139 Viscosity (mPa s) = 3.57162 @@ -3435,7 +3436,7 @@ Polyhalite 0.00 -13.74 -13.74 1.172e-03 1.369e-03 1.969e-04 pH = 7.378 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 146876 + Specific Conductance (µS/cm, 25°C) = 147417 Density (g/cm³) = 1.25755 Volume (L) = 0.01081 Viscosity (mPa s) = 3.74839 @@ -3594,7 +3595,7 @@ Polyhalite 0.00 -13.74 -13.74 1.369e-03 1.563e-03 1.942e-04 pH = 7.386 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 139761 + Specific Conductance (µS/cm, 25°C) = 140319 Density (g/cm³) = 1.26219 Volume (L) = 0.01020 Viscosity (mPa s) = 3.99402 @@ -3753,7 +3754,7 @@ Polyhalite 0.00 -13.74 -13.74 1.563e-03 1.740e-03 1.768e-04 pH = 7.394 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 131643 + Specific Conductance (µS/cm, 25°C) = 132216 Density (g/cm³) = 1.26804 Volume (L) = 0.00958 Viscosity (mPa s) = 4.31212 diff --git a/ex18.out b/ex18.out index 8c1a47c5..43e3a7e0 100644 --- a/ex18.out +++ b/ex18.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -118,18 +118,18 @@ Initial solution 1. Recharge number 3 pH = 7.550 pe = 0.000 - Specific Conductance (µS/cm, 10°C) = 277 + Specific Conductance (µS/cm, 10°C) = 278 Density (g/cm³) = 0.99999 Volume (L) = 1.00035 - Viscosity (mPa s) = 1.31356 + Viscosity (mPa s) = 1.31358 Activity of water = 1.000 - Ionic strength (mol/kgw) = 6.542e-03 + Ionic strength (mol/kgw) = 6.588e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.016e-03 + Total alkalinity (eq/kg) = 4.014e-03 Total CO2 (mol/kg) = 4.300e-03 Temperature (°C) = 9.90 - Electrical balance (eq) = 1.063e-04 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.24 + Electrical balance (eq) = 1.077e-04 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25 Iterations = 8 Total H = 1.110164e+02 Total O = 5.551946e+01 @@ -143,95 +143,95 @@ 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 22.89 - CO2 2.971e-04 2.974e-04 -3.527 -3.527 0.000 33.66 - MgHCO3+ 3.094e-05 2.845e-05 -4.510 -4.546 -0.036 4.93 - CaHCO3+ 3.027e-05 2.794e-05 -4.519 -4.554 -0.035 8.96 - CO3-2 5.765e-06 4.167e-06 -5.239 -5.380 -0.141 -6.10 - CaCO3 4.730e-06 4.737e-06 -5.325 -5.324 0.001 -14.66 - MgCO3 2.204e-06 2.208e-06 -5.657 -5.656 0.001 -17.07 - FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0) - FeCO3 5.288e-08 5.296e-08 -7.277 -7.276 0.001 (0) - NaHCO3 3.675e-08 3.686e-08 -7.435 -7.433 0.001 31.86 - KHCO3 2.291e-08 2.291e-08 -7.640 -7.640 0.000 40.92 - (CO2)2 9.408e-10 9.423e-10 -9.026 -9.026 0.001 67.31 + HCO3- 3.951e-03 3.642e-03 -2.403 -2.439 -0.035 22.89 + CO2 2.987e-04 2.990e-04 -3.525 -3.524 0.000 33.66 + MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93 + CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 121.93 + CO3-2 5.802e-06 4.190e-06 -5.236 -5.378 -0.141 -6.10 + CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66 + MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07 + FeHCO3+ 2.093e-07 1.925e-07 -6.679 -6.716 -0.036 (0) + FeCO3 5.305e-08 5.313e-08 -7.275 -7.275 0.001 (0) + NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86 + KHCO3 2.302e-08 2.303e-08 -7.638 -7.638 0.000 40.92 + (CO2)2 9.509e-10 9.523e-10 -9.022 -9.021 0.001 67.31 Ca 1.200e-03 - Ca+2 1.152e-03 8.324e-04 -2.938 -3.080 -0.141 -18.31 - CaHCO3+ 3.027e-05 2.794e-05 -4.519 -4.554 -0.035 8.96 - CaSO4 1.277e-05 1.279e-05 -4.894 -4.893 0.001 6.78 - CaCO3 4.730e-06 4.737e-06 -5.325 -5.324 0.001 -14.66 - CaOH+ 5.328e-09 4.901e-09 -8.273 -8.310 -0.036 (0) - CaHSO4+ 2.133e-12 1.962e-12 -11.671 -11.707 -0.036 (0) + Ca+2 1.176e-03 8.486e-04 -2.930 -3.071 -0.142 -18.31 + CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78 + CaHCO3+ 6.407e-06 5.913e-06 -5.193 -5.228 -0.035 121.93 + CaCO3 4.848e-06 4.855e-06 -5.314 -5.314 0.001 -14.66 + CaOH+ 5.433e-09 4.996e-09 -8.265 -8.301 -0.036 (0) + CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0) Cl 2.000e-05 Cl- 2.000e-05 1.838e-05 -4.699 -4.736 -0.037 17.40 - FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0) - HCl 1.948e-13 1.960e-13 -12.711 -12.708 0.003 (0) + FeCl+ 1.458e-11 1.341e-11 -10.836 -10.873 -0.036 (0) + HCl 1.947e-13 1.960e-13 -12.711 -12.708 0.003 (0) Fe(2) 1.000e-06 - Fe+2 7.297e-07 5.298e-07 -6.137 -6.276 -0.139 -23.20 - FeHCO3+ 2.086e-07 1.919e-07 -6.681 -6.717 -0.036 (0) - FeCO3 5.288e-08 5.296e-08 -7.277 -7.276 0.001 (0) - FeSO4 6.844e-09 6.855e-09 -8.165 -8.164 0.001 39.09 - FeOH+ 1.965e-09 1.811e-09 -8.707 -8.742 -0.036 (0) - FeCl+ 1.461e-11 1.344e-11 -10.835 -10.872 -0.036 (0) - Fe(OH)2 1.369e-13 1.371e-13 -12.864 -12.863 0.001 (0) - FeHSO4+ 1.357e-15 1.249e-15 -14.867 -14.904 -0.036 (0) - Fe(OH)3- 1.678e-16 1.546e-16 -15.775 -15.811 -0.036 (0) + Fe+2 7.288e-07 5.286e-07 -6.137 -6.277 -0.139 -23.19 + FeHCO3+ 2.093e-07 1.925e-07 -6.679 -6.716 -0.036 (0) + FeCO3 5.305e-08 5.313e-08 -7.275 -7.275 0.001 (0) + FeSO4 6.814e-09 6.824e-09 -8.167 -8.166 0.001 39.09 + FeOH+ 1.962e-09 1.807e-09 -8.707 -8.743 -0.036 (0) + FeCl+ 1.458e-11 1.341e-11 -10.836 -10.873 -0.036 (0) + Fe(OH)2 1.366e-13 1.368e-13 -12.865 -12.864 0.001 (0) + FeHSO4+ 1.352e-15 1.243e-15 -14.869 -14.906 -0.036 (0) + Fe(OH)3- 1.674e-16 1.542e-16 -15.776 -15.812 -0.036 (0) H(0) 1.316e-18 - H2 6.579e-19 6.588e-19 -18.182 -18.181 0.001 28.63 + H2 6.578e-19 6.588e-19 -18.182 -18.181 0.001 28.63 K 2.000e-05 - K+ 1.995e-05 1.833e-05 -4.700 -4.737 -0.037 8.43 - KSO4- 2.828e-08 2.615e-08 -7.548 -7.582 -0.034 12.38 - KHCO3 2.291e-08 2.291e-08 -7.640 -7.640 0.000 40.92 + K+ 1.995e-05 1.832e-05 -4.700 -4.737 -0.037 8.43 + KSO4- 2.822e-08 2.609e-08 -7.549 -7.584 -0.034 12.38 + KHCO3 2.302e-08 2.303e-08 -7.638 -7.638 0.000 40.92 Mg 1.010e-03 - Mg+2 9.648e-04 7.000e-04 -3.016 -3.155 -0.139 -21.10 - MgHCO3+ 3.094e-05 2.845e-05 -4.510 -4.546 -0.036 4.93 - MgSO4 1.203e-05 1.206e-05 -4.920 -4.919 0.001 -14.55 - MgCO3 2.204e-06 2.208e-06 -5.657 -5.656 0.001 -17.07 - MgOH+ 2.321e-08 2.144e-08 -7.634 -7.669 -0.034 (0) - Mg(SO4)2-2 7.109e-09 5.202e-09 -8.148 -8.284 -0.136 1.52 + Mg+2 9.647e-04 6.992e-04 -3.016 -3.155 -0.140 -21.10 + MgHCO3+ 3.108e-05 2.857e-05 -4.508 -4.544 -0.037 4.93 + MgSO4 1.198e-05 1.202e-05 -4.921 -4.920 0.001 -14.55 + MgCO3 2.214e-06 2.217e-06 -5.655 -5.654 0.001 -17.07 + MgOH+ 2.319e-08 2.142e-08 -7.635 -7.669 -0.034 (0) + Mg(SO4)2-2 7.075e-09 5.172e-09 -8.150 -8.286 -0.136 1.55 Na 2.000e-05 - Na+ 1.994e-05 1.836e-05 -4.700 -4.736 -0.036 -2.42 - NaHCO3 3.675e-08 3.686e-08 -7.435 -7.433 0.001 31.86 - NaSO4- 2.687e-08 2.478e-08 -7.571 -7.606 -0.035 -19.98 - NaOH 1.896e-22 1.899e-22 -21.722 -21.721 0.001 (0) + Na+ 1.994e-05 1.835e-05 -4.700 -4.736 -0.036 -2.42 + NaHCO3 3.694e-08 3.705e-08 -7.433 -7.431 0.001 31.86 + NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96 + NaOH 1.896e-22 1.898e-22 -21.722 -21.722 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 - SO4-2 1.351e-04 9.732e-05 -3.869 -4.012 -0.143 14.48 - CaSO4 1.277e-05 1.279e-05 -4.894 -4.893 0.001 6.78 - MgSO4 1.203e-05 1.206e-05 -4.920 -4.919 0.001 -14.55 - KSO4- 2.828e-08 2.615e-08 -7.548 -7.582 -0.034 12.38 - NaSO4- 2.687e-08 2.478e-08 -7.571 -7.606 -0.035 -19.98 - Mg(SO4)2-2 7.109e-09 5.202e-09 -8.148 -8.284 -0.136 1.52 - FeSO4 6.844e-09 6.855e-09 -8.165 -8.164 0.001 39.09 - HSO4- 2.131e-10 1.960e-10 -9.671 -9.708 -0.036 38.92 - CaHSO4+ 2.133e-12 1.962e-12 -11.671 -11.707 -0.036 (0) - FeHSO4+ 1.357e-15 1.249e-15 -14.867 -14.904 -0.036 (0) + SO4-2 1.350e-04 9.710e-05 -3.870 -4.013 -0.143 14.49 + CaSO4 1.298e-05 1.300e-05 -4.887 -4.886 0.001 6.78 + MgSO4 1.198e-05 1.202e-05 -4.921 -4.920 0.001 -14.55 + KSO4- 2.822e-08 2.609e-08 -7.549 -7.584 -0.034 12.38 + NaSO4- 2.681e-08 2.471e-08 -7.572 -7.607 -0.035 -19.96 + Mg(SO4)2-2 7.075e-09 5.172e-09 -8.150 -8.286 -0.136 1.55 + FeSO4 6.814e-09 6.824e-09 -8.167 -8.166 0.001 39.09 + HSO4- 2.127e-10 1.956e-10 -9.672 -9.709 -0.036 38.92 + CaHSO4+ 2.170e-12 1.995e-12 -11.664 -11.700 -0.036 (0) + FeHSO4+ 1.352e-15 1.243e-15 -14.869 -14.906 -0.036 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(283 K, 1 atm) - Anhydrite -2.97 -7.09 -4.12 CaSO4 - Aragonite -0.20 -8.46 -8.25 CaCO3 - Arcanite -11.37 -13.49 -2.11 K2SO4 - Calcite -0.06 -8.46 -8.40 CaCO3 - CH2O -33.73 -33.73 0.00 CH2O - CO2(g) -2.26 -3.53 -1.27 CO2 - Dolomite -0.11 -16.99 -16.88 CaMg(CO3)2 - Epsomite -5.33 -7.17 -1.83 MgSO4:7H2O - Gypsum -2.49 -7.09 -4.60 CaSO4:2H2O + Anhydrite -2.96 -7.08 -4.12 CaSO4 + Aragonite -0.19 -8.45 -8.25 CaCO3 + Arcanite -11.38 -13.49 -2.11 K2SO4 + Calcite -0.05 -8.45 -8.40 CaCO3 + CH2O -33.72 -33.72 0.00 CH2O + CO2(g) -2.26 -3.52 -1.27 CO2 + Dolomite -0.10 -16.98 -16.88 CaMg(CO3)2 + Epsomite -5.34 -7.17 -1.83 MgSO4:7H2O + Gypsum -2.49 -7.08 -4.60 CaSO4:2H2O H2(g) -15.13 -18.18 -3.05 H2 H2O(g) -1.91 -0.00 1.91 H2O Halite -11.03 -9.47 1.56 NaCl Hexahydrite -5.58 -7.17 -1.59 MgSO4:6H2O Kieserite -5.85 -7.17 -1.32 MgSO4:H2O Melanterite -7.88 -10.29 -2.41 FeSO4:7H2O - Mirabilite -11.51 -13.48 -1.97 Na2SO4:10H2O + Mirabilite -11.51 -13.49 -1.97 Na2SO4:10H2O O2(g) -58.39 -61.15 -2.76 O2 - Siderite -0.86 -11.66 -10.79 FeCO3 + Siderite -0.86 -11.65 -10.79 FeCO3 Sylvite -9.47 -9.47 0.00 KCl - Thenardite -13.26 -13.48 -0.23 Na2SO4 + Thenardite -13.26 -13.49 -0.23 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -256,21 +256,21 @@ Initial solution 2. Mysse pH = 6.610 pe = 0.000 - Specific Conductance (µS/cm, 63°C) = 10510 - Density (g/cm³) = 0.98523 - Volume (L) = 1.01939 - Viscosity (mPa s) = 0.45611 + Specific Conductance (µS/cm, 63°C) = 10507 + Density (g/cm³) = 0.98520 + Volume (L) = 1.01942 + Viscosity (mPa s) = 0.45609 Activity of water = 0.999 - Ionic strength (mol/kgw) = 7.104e-02 + Ionic strength (mol/kgw) = 7.101e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.286e-03 + Total alkalinity (eq/kg) = 5.294e-03 Total CO2 (mol/kg) = 6.870e-03 Temperature (°C) = 63.00 - Electrical balance (eq) = 3.215e-03 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.23 + Electrical balance (eq) = 3.207e-03 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 3.22 Iterations = 8 (16 overall) Total H = 1.110179e+02 - Total O = 5.560451e+01 + Total O = 5.560452e+01 ---------------------------------Redox couples--------------------------------- @@ -287,91 +287,91 @@ Initial solution 2. Mysse H+ 2.959e-07 2.455e-07 -6.529 -6.610 -0.081 0.00 H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.35 C(4) 6.870e-03 - HCO3- 4.595e-03 3.660e-03 -2.338 -2.436 -0.099 25.86 - CO2 1.753e-03 1.772e-03 -2.756 -2.751 0.005 36.36 - CaHCO3+ 2.484e-04 1.994e-04 -3.605 -3.700 -0.095 10.66 - NaHCO3 1.852e-04 1.914e-04 -3.732 -3.718 0.014 31.20 - MgHCO3+ 6.121e-05 4.775e-05 -4.213 -4.321 -0.108 6.10 - CaCO3 1.668e-05 1.695e-05 -4.778 -4.771 0.007 -14.51 - KHCO3 5.118e-06 5.126e-06 -5.291 -5.290 0.001 41.50 - CO3-2 2.699e-06 1.086e-06 -5.569 -5.964 -0.395 -2.58 - MgCO3 1.518e-06 1.543e-06 -5.819 -5.812 0.007 -17.09 - (CO2)2 1.559e-07 1.584e-07 -6.807 -6.800 0.007 72.72 - FeHCO3+ 1.158e-08 9.117e-09 -7.936 -8.040 -0.104 (0) - FeCO3 6.385e-10 6.490e-10 -9.195 -9.188 0.007 (0) + HCO3- 4.575e-03 3.644e-03 -2.340 -2.438 -0.099 25.86 + CO2 1.746e-03 1.765e-03 -2.758 -2.753 0.005 36.36 + CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 123.62 + NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20 + MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10 + CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51 + KHCO3 5.096e-06 5.104e-06 -5.293 -5.292 0.001 41.50 + CO3-2 2.687e-06 1.082e-06 -5.571 -5.966 -0.395 -2.58 + MgCO3 1.511e-06 1.536e-06 -5.821 -5.814 0.007 -17.09 + (CO2)2 1.545e-07 1.571e-07 -6.811 -6.804 0.007 72.72 + FeHCO3+ 1.153e-08 9.078e-09 -7.938 -8.042 -0.104 (0) + FeCO3 6.358e-10 6.462e-10 -9.197 -9.190 0.007 (0) Ca 1.128e-02 - Ca+2 7.843e-03 3.171e-03 -2.106 -2.499 -0.393 -17.58 - CaSO4 3.172e-03 3.224e-03 -2.499 -2.492 0.007 8.42 - CaHCO3+ 2.484e-04 1.994e-04 -3.605 -3.700 -0.095 10.66 - CaCO3 1.668e-05 1.695e-05 -4.778 -4.771 0.007 -14.51 - CaHSO4+ 1.310e-08 1.031e-08 -7.883 -7.987 -0.104 (0) - CaOH+ 2.719e-09 2.141e-09 -8.566 -8.669 -0.104 (0) + Ca+2 7.821e-03 3.163e-03 -2.107 -2.500 -0.393 -17.58 + CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42 + CaHCO3+ 2.772e-04 2.226e-04 -3.557 -3.653 -0.095 123.62 + CaCO3 1.656e-05 1.683e-05 -4.781 -4.774 0.007 -14.51 + CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0) + CaOH+ 2.712e-09 2.135e-09 -8.567 -8.671 -0.104 (0) Cl 1.785e-02 Cl- 1.785e-02 1.388e-02 -1.748 -1.858 -0.109 18.29 HCl 8.646e-10 9.269e-10 -9.063 -9.033 0.030 (0) - FeCl+ 6.060e-10 4.771e-10 -9.218 -9.321 -0.104 (0) + FeCl+ 6.061e-10 4.771e-10 -9.217 -9.321 -0.104 (0) Fe(2) 4.000e-07 Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0) Fe+2 5.995e-08 2.491e-08 -7.222 -7.604 -0.381 -19.95 - FeSO4 3.584e-08 3.643e-08 -7.446 -7.439 0.007 -6.81 - FeHCO3+ 1.158e-08 9.117e-09 -7.936 -8.040 -0.104 (0) - Fe(HS)3- 4.609e-09 3.628e-09 -8.336 -8.440 -0.104 (0) - FeCO3 6.385e-10 6.490e-10 -9.195 -9.188 0.007 (0) - FeCl+ 6.060e-10 4.771e-10 -9.218 -9.321 -0.104 (0) + FeSO4 3.586e-08 3.645e-08 -7.445 -7.438 0.007 -6.81 + FeHCO3+ 1.153e-08 9.078e-09 -7.938 -8.042 -0.104 (0) + Fe(HS)3- 4.609e-09 3.629e-09 -8.336 -8.440 -0.104 (0) + FeCO3 6.358e-10 6.462e-10 -9.197 -9.190 0.007 (0) + FeCl+ 6.061e-10 4.771e-10 -9.217 -9.321 -0.104 (0) FeOH+ 5.020e-10 3.976e-10 -9.299 -9.401 -0.101 (0) Fe(OH)2 2.540e-13 2.582e-13 -12.595 -12.588 0.007 (0) - FeHSO4+ 1.029e-13 8.100e-14 -12.988 -13.092 -0.104 (0) + FeHSO4+ 1.030e-13 8.105e-14 -12.987 -13.091 -0.104 (0) Fe(OH)3- 6.860e-17 5.434e-17 -16.164 -16.265 -0.101 (0) H(0) 1.219e-09 - H2 6.097e-10 6.198e-10 -9.215 -9.208 0.007 28.58 + H2 6.097e-10 6.197e-10 -9.215 -9.208 0.007 28.58 K 2.540e-03 - K+ 2.340e-03 1.814e-03 -2.631 -2.741 -0.111 10.01 - KSO4- 1.954e-04 1.605e-04 -3.709 -3.794 -0.085 15.45 - KHCO3 5.118e-06 5.126e-06 -5.291 -5.290 0.001 41.50 + K+ 2.339e-03 1.814e-03 -2.631 -2.741 -0.110 10.01 + KSO4- 1.955e-04 1.606e-04 -3.709 -3.794 -0.085 15.45 + KHCO3 5.096e-06 5.104e-06 -5.293 -5.292 0.001 41.50 Mg 4.540e-03 - MgSO4 2.446e-03 2.527e-03 -2.612 -2.597 0.014 -0.04 - Mg+2 1.986e-03 8.303e-04 -2.702 -3.081 -0.379 -22.49 - MgHCO3+ 6.121e-05 4.775e-05 -4.213 -4.321 -0.108 6.10 - Mg(SO4)2-2 4.582e-05 2.013e-05 -4.339 -4.696 -0.357 26.89 - MgCO3 1.518e-06 1.543e-06 -5.819 -5.812 0.007 -17.09 - MgOH+ 3.185e-07 2.573e-07 -6.497 -6.590 -0.093 (0) + MgSO4 2.446e-03 2.528e-03 -2.611 -2.597 0.014 -0.04 + Mg+2 1.985e-03 8.301e-04 -2.702 -3.081 -0.379 -22.49 + MgHCO3+ 6.093e-05 4.753e-05 -4.215 -4.323 -0.108 6.10 + Mg(SO4)2-2 4.585e-05 2.015e-05 -4.339 -4.696 -0.357 26.88 + MgCO3 1.511e-06 1.536e-06 -5.821 -5.814 0.007 -17.09 + MgOH+ 3.184e-07 2.572e-07 -6.497 -6.590 -0.093 (0) Na 3.189e-02 Na+ 2.911e-02 2.304e-02 -1.536 -1.638 -0.102 0.09 - NaSO4- 2.598e-03 2.072e-03 -2.585 -2.684 -0.098 -3.67 - NaHCO3 1.852e-04 1.914e-04 -3.732 -3.718 0.014 31.20 + NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67 + NaHCO3 1.844e-04 1.905e-04 -3.734 -3.720 0.014 31.20 NaOH 1.044e-18 1.062e-18 -17.981 -17.974 0.007 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.096 -63.089 0.007 32.51 + O2 0.000e+00 0.000e+00 -63.096 -63.088 0.007 32.51 S(-2) 2.600e-04 HS- 1.480e-04 1.145e-04 -3.830 -3.941 -0.112 21.38 H2S 1.114e-04 1.132e-04 -3.953 -3.946 0.007 42.59 Fe(HS)2 2.863e-07 2.910e-07 -6.543 -6.536 0.007 (0) - Fe(HS)3- 4.609e-09 3.628e-09 -8.336 -8.440 -0.104 (0) - S-2 1.440e-09 5.667e-10 -8.842 -9.247 -0.405 (0) + Fe(HS)3- 4.609e-09 3.629e-09 -8.336 -8.440 -0.104 (0) + S-2 1.440e-09 5.668e-10 -8.842 -9.247 -0.405 (0) (H2S)2 1.351e-09 1.373e-09 -8.869 -8.862 0.007 27.88 S(6) 1.986e-02 - SO4-2 1.136e-02 4.441e-03 -1.945 -2.353 -0.408 23.91 - CaSO4 3.172e-03 3.224e-03 -2.499 -2.492 0.007 8.42 - NaSO4- 2.598e-03 2.072e-03 -2.585 -2.684 -0.098 -3.67 - MgSO4 2.446e-03 2.527e-03 -2.612 -2.597 0.014 -0.04 - KSO4- 1.954e-04 1.605e-04 -3.709 -3.794 -0.085 15.45 - Mg(SO4)2-2 4.582e-05 2.013e-05 -4.339 -4.696 -0.357 26.89 - HSO4- 3.436e-07 2.705e-07 -6.464 -6.568 -0.104 41.70 - FeSO4 3.584e-08 3.643e-08 -7.446 -7.439 0.007 -6.81 - CaHSO4+ 1.310e-08 1.031e-08 -7.883 -7.987 -0.104 (0) - FeHSO4+ 1.029e-13 8.100e-14 -12.988 -13.092 -0.104 (0) + SO4-2 1.136e-02 4.443e-03 -1.945 -2.352 -0.408 23.91 + CaSO4 3.165e-03 3.217e-03 -2.500 -2.492 0.007 8.42 + NaSO4- 2.599e-03 2.073e-03 -2.585 -2.683 -0.098 -3.67 + MgSO4 2.446e-03 2.528e-03 -2.611 -2.597 0.014 -0.04 + KSO4- 1.955e-04 1.606e-04 -3.709 -3.794 -0.085 15.45 + Mg(SO4)2-2 4.585e-05 2.015e-05 -4.339 -4.696 -0.357 26.88 + HSO4- 3.438e-07 2.706e-07 -6.464 -6.568 -0.104 41.70 + FeSO4 3.586e-08 3.645e-08 -7.445 -7.438 0.007 -6.81 + CaHSO4+ 1.307e-08 1.029e-08 -7.884 -7.988 -0.104 (0) + FeHSO4+ 1.030e-13 8.105e-14 -12.987 -13.091 -0.104 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(336 K, 1 atm) Anhydrite -0.11 -4.85 -4.75 CaSO4 - Aragonite 0.21 -8.46 -8.67 CaCO3 + Aragonite 0.20 -8.47 -8.67 CaCO3 Arcanite -6.28 -7.84 -1.55 K2SO4 - Calcite 0.46 -8.46 -8.92 CaCO3 - CH2O -14.57 -14.57 0.00 CH2O + Calcite 0.46 -8.47 -8.92 CaCO3 + CH2O -14.58 -14.58 0.00 CH2O CO2(g) -0.95 -2.75 -1.80 CO2 - Dolomite 0.55 -17.51 -18.06 CaMg(CO3)2 + Dolomite 0.54 -17.51 -18.06 CaMg(CO3)2 Epsomite -3.94 -5.44 -1.50 MgSO4:7H2O FeS(ppt) -1.02 -4.93 -3.92 FeS Gypsum -0.19 -4.85 -4.66 CaSO4:2H2O @@ -404,7 +404,7 @@ Solution 1: Recharge number 3 Input Delta Input+Delta pH 7.550e+00 + 0.000e+00 = 7.550e+00 - Alkalinity 4.016e-03 + 1.063e-04 = 4.122e-03 + Alkalinity 4.014e-03 + 1.077e-04 = 4.122e-03 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 4.300e-03 + 0.000e+00 = 4.300e-03 Ca 1.200e-03 + 0.000e+00 = 1.200e-03 @@ -428,7 +428,7 @@ Solution 2: Mysse Input Delta Input+Delta pH 6.610e+00 + 0.000e+00 = 6.610e+00 - Alkalinity 5.286e-03 + 0.000e+00 = 5.286e-03 + Alkalinity 5.294e-03 + 0.000e+00 = 5.294e-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 @@ -438,7 +438,7 @@ Solution 2: Mysse H(0) 1.219e-09 + 0.000e+00 = 1.219e-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 + -1.229e-03 = 3.066e-02 + Na 3.189e-02 + -1.221e-03 = 3.067e-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 @@ -451,8 +451,8 @@ Solution 2: Mysse Isotopic composition of phases: 13C Dolomite 3 + 0 = 3 13C Calcite -1.5 + 0 = -1.5 - 34S Anhydrite 13.5 + -0.715402 = 12.7846 - 13C CH2O -25 + 3.93324 = -21.0668 + 34S Anhydrite 13.5 + -0.70933 = 12.7907 + 13C CH2O -25 + 3.88835 = -21.1116 34S Pyrite -22 + 2 = -20 Solution fractions: Minimum Maximum @@ -460,24 +460,24 @@ Solution fractions: Minimum Maximum Solution 2 1.000e+00 1.000e+00 1.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm) - Dolomite 1.120e-02 1.022e-02 1.194e-02 CaMg(CO3)2 ( 1.06, 0.55) - Calcite -2.404e-02 -2.597e-02 -2.113e-02 CaCO3 ( 0.46, 0.46) - Anhydrite 2.293e-02 2.037e-02 2.378e-02 CaSO4 ( -2.35, -0.11) - CH2O 4.222e-03 2.482e-03 5.808e-03 CH2O ( , ) - Goethite 9.866e-04 5.145e-04 1.418e-03 FeOOH ( , ) - Pyrite -9.872e-04 -1.417e-03 -5.162e-04 FeS2 ( , ) - MgX2 -7.666e-03 -8.591e-03 -6.972e-03 MgX2 ( , ) - NaX 1.533e-02 1.394e-02 1.718e-02 NaX ( , ) + Dolomite 1.120e-02 1.022e-02 1.195e-02 CaMg(CO3)2 ( 1.07, 0.54) + Calcite -2.404e-02 -2.597e-02 -2.112e-02 CaCO3 ( 0.47, 0.46) + Anhydrite 2.292e-02 2.037e-02 2.378e-02 CaSO4 ( -2.34, -0.11) + CH2O 4.214e-03 2.473e-03 5.798e-03 CH2O ( , ) + Goethite 9.845e-04 5.123e-04 1.415e-03 FeOOH ( , ) + Pyrite -9.851e-04 -1.414e-03 -5.140e-04 FeS2 ( , ) + MgX2 -7.669e-03 -8.595e-03 -6.972e-03 MgX2 ( , ) + NaX 1.534e-02 1.394e-02 1.719e-02 NaX ( , ) Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09) Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60) Redox mole transfers: - Fe(3) 9.866e-04 + Fe(3) 9.845e-04 H(0) -1.219e-09 - S(-2) -2.234e-03 + S(-2) -2.230e-03 -Sum of residuals (epsilons in documentation): 2.312e+00 -Sum of delta/uncertainty limit: 4.444e+00 +Sum of residuals (epsilons in documentation): 2.315e+00 +Sum of delta/uncertainty limit: 4.435e+00 Maximum fractional error in element concentration: 5.000e-02 Model contains minimum number of phases. @@ -488,7 +488,7 @@ Solution 1: Recharge number 3 Input Delta Input+Delta pH 7.550e+00 + 0.000e+00 = 7.550e+00 - Alkalinity 4.016e-03 + 1.063e-04 = 4.122e-03 + Alkalinity 4.014e-03 + 1.077e-04 = 4.122e-03 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 C(4) 4.300e-03 + 0.000e+00 = 4.300e-03 Ca 1.200e-03 + 0.000e+00 = 1.200e-03 @@ -512,9 +512,9 @@ Solution 2: Mysse Input Delta Input+Delta pH 6.610e+00 + 0.000e+00 = 6.610e+00 - Alkalinity 5.286e-03 + 0.000e+00 = 5.286e-03 + Alkalinity 5.294e-03 + 0.000e+00 = 5.294e-03 C(-4) 0.000e+00 + 0.000e+00 = 0.000e+00 - C(4) 6.870e-03 + -3.424e-04 = 6.528e-03 + C(4) 6.870e-03 + -3.383e-04 = 6.532e-03 Ca 1.128e-02 + 0.000e+00 = 1.128e-02 Cl 1.785e-02 + 0.000e+00 = 1.785e-02 Fe(2) 4.000e-07 + 0.000e+00 = 4.000e-07 @@ -522,7 +522,7 @@ Solution 2: Mysse H(0) 1.219e-09 + 0.000e+00 = 1.219e-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 + -1.229e-03 = 3.066e-02 + Na 3.189e-02 + -1.221e-03 = 3.067e-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 @@ -535,7 +535,7 @@ Solution 2: Mysse Isotopic composition of phases: 13C Dolomite 3 + 2 = 5 13C Calcite -1.5 + -1 = -2.5 - 34S Anhydrite 13.5 + -0.146098 = 13.3539 + 34S Anhydrite 13.5 + -0.146689 = 13.3533 13C CH2O -25 + 5 = -20 34S Pyrite -22 + 2 = -20 @@ -544,24 +544,24 @@ Solution fractions: Minimum Maximum Solution 2 1.000e+00 1.000e+00 1.000e+00 Phase mole transfers: Minimum Maximum Formula (Approximate SI in solution 1, 2 at 336 K, 1 atm) - Dolomite 5.446e-03 4.995e-03 5.842e-03 CaMg(CO3)2 ( 1.06, 0.55) - Calcite -1.215e-02 -1.337e-02 -1.066e-02 CaCO3 ( 0.46, 0.46) - Anhydrite 2.254e-02 2.037e-02 2.298e-02 CaSO4 ( -2.35, -0.11) - CH2O 3.488e-03 2.482e-03 4.302e-03 CH2O ( , ) - Goethite 7.909e-04 5.145e-04 1.016e-03 FeOOH ( , ) - Pyrite -7.915e-04 -1.015e-03 -5.162e-04 FeS2 ( , ) - Ca.75Mg.25X2 -7.666e-03 -8.591e-03 -6.972e-03 Ca.75Mg.25X2 ( , ) - NaX 1.533e-02 1.394e-02 1.718e-02 NaX ( , ) + Dolomite 5.447e-03 4.995e-03 5.843e-03 CaMg(CO3)2 ( 1.07, 0.54) + Calcite -1.215e-02 -1.336e-02 -1.066e-02 CaCO3 ( 0.47, 0.46) + Anhydrite 2.254e-02 2.037e-02 2.298e-02 CaSO4 ( -2.34, -0.11) + CH2O 3.489e-03 2.473e-03 4.302e-03 CH2O ( , ) + Goethite 7.911e-04 5.123e-04 1.016e-03 FeOOH ( , ) + Pyrite -7.917e-04 -1.016e-03 -5.140e-04 FeS2 ( , ) + Ca.75Mg.25X2 -7.669e-03 -8.595e-03 -6.972e-03 Ca.75Mg.25X2 ( , ) + NaX 1.534e-02 1.394e-02 1.719e-02 NaX ( , ) Halite 1.531e-02 1.429e-02 1.633e-02 NaCl (-11.07, -5.09) Sylvite 2.520e-03 2.392e-03 2.648e-03 KCl ( -9.47, -4.60) Redox mole transfers: - Fe(3) 7.909e-04 + Fe(3) 7.911e-04 H(0) -1.219e-09 S(-2) -1.843e-03 -Sum of residuals (epsilons in documentation): 3.320e+00 -Sum of delta/uncertainty limit: 7.370e+00 +Sum of residuals (epsilons in documentation): 3.311e+00 +Sum of delta/uncertainty limit: 7.361e+00 Maximum fractional error in element concentration: 5.000e-02 Model contains minimum number of phases. diff --git a/ex19.out b/ex19.out index 5fd0dfb7..c2e5f346 100644 --- a/ex19.out +++ b/ex19.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex19b.out b/ex19b.out index 6549cfff..b006a676 100644 --- a/ex19b.out +++ b/ex19b.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex2.out b/ex2.out index 60e613ad..84e5f510 100644 --- a/ex2.out +++ b/ex2.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex21.out b/ex21.out index 0d4c7f73..7333a325 100644 --- a/ex21.out +++ b/ex21.out @@ -1,4 +1,4 @@ - Input file: ex21 + Input file: ../examples/ex21 Output file: ex21.out Database file: ../database/phreeqc.dat @@ -939,7 +939,3 @@ Calculating transport: 1 (mobile) cells, 1120 shifts, 1 mixruns... END --------------------------------- -End of Run after 54.706 Seconds. --------------------------------- - diff --git a/ex22.out b/ex22.out index 3ba17252..baa2a407 100644 --- a/ex22.out +++ b/ex22.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex2b.out b/ex2b.out index 9d725358..2d9eb972 100644 --- a/ex2b.out +++ b/ex2b.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex3.out b/ex3.out index 6f94d1e2..902dd6ec 100644 --- a/ex3.out +++ b/ex3.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -104,62 +104,62 @@ Using pure phase assemblage 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03 -Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.645e-03 +CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.953e-03 +Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -1.623e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 3.622e-03 3.621e-03 - Ca 1.645e-03 1.645e-03 + C 3.576e-03 3.576e-03 + Ca 1.623e-03 1.623e-03 ----------------------------Description of solution---------------------------- - pH = 7.297 Charge balance - pe = -1.575 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 308 + pH = 7.295 Charge balance + pe = -1.573 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 307 Density (g/cm³) = 0.99726 Volume (L) = 1.00300 Viscosity (mPa s) = 0.89219 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.826e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.291e-03 - Total CO2 (mol/kg) = 3.622e-03 + Total alkalinity (eq/kg) = 3.245e-03 + Total CO2 (mol/kg) = 3.576e-03 Temperature (°C) = 25.00 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 - Total O = 5.551511e+01 + Total O = 5.551499e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.162e-07 2.005e-07 -6.665 -6.698 -0.033 -4.07 - H+ 5.402e-08 5.048e-08 -7.267 -7.297 -0.029 0.00 + OH- 2.154e-07 1.998e-07 -6.667 -6.699 -0.033 -4.07 + H+ 5.421e-08 5.066e-08 -7.266 -7.295 -0.029 0.00 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 -C(-4) 1.399e-25 - CH4 1.399e-25 1.401e-25 -24.854 -24.854 0.000 35.46 -C(4) 3.622e-03 - HCO3- 3.223e-03 2.998e-03 -2.492 -2.523 -0.032 24.62 +C(-4) 1.394e-25 + CH4 1.394e-25 1.396e-25 -24.856 -24.855 0.000 35.46 +C(4) 3.576e-03 + HCO3- 3.212e-03 2.987e-03 -2.493 -2.525 -0.032 24.62 CO2 3.400e-04 3.403e-04 -3.469 -3.468 0.000 34.43 - CaHCO3+ 4.886e-05 4.548e-05 -4.311 -4.342 -0.031 9.70 + CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 122.67 CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60 - CO3-2 3.723e-06 2.785e-06 -5.429 -5.555 -0.126 -3.79 + CO3-2 3.697e-06 2.765e-06 -5.432 -5.558 -0.126 -3.79 (CO2)2 2.123e-09 2.125e-09 -8.673 -8.673 0.000 68.87 -Ca 1.645e-03 - Ca+2 1.591e-03 1.189e-03 -2.798 -2.925 -0.126 -18.02 - CaHCO3+ 4.886e-05 4.548e-05 -4.311 -4.342 -0.031 9.70 +Ca 1.623e-03 + Ca+2 1.602e-03 1.198e-03 -2.795 -2.922 -0.126 -18.02 + CaHCO3+ 1.483e-05 1.380e-05 -4.829 -4.860 -0.031 122.67 CaCO3 5.557e-06 5.563e-06 -5.255 -5.255 0.000 -14.60 - CaOH+ 4.212e-09 3.909e-09 -8.376 -8.408 -0.032 (0) -H(0) 5.089e-15 - H2 2.544e-15 2.547e-15 -14.594 -14.594 0.000 28.61 + CaOH+ 4.227e-09 3.923e-09 -8.374 -8.406 -0.032 (0) +H(0) 5.084e-15 + H2 2.542e-15 2.545e-15 -14.595 -14.594 0.000 28.61 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.193 -63.192 0.000 30.40 + O2 0.000e+00 0.000e+00 -63.192 -63.191 0.000 30.40 ------------------------------Saturation indices------------------------------- @@ -167,7 +167,7 @@ O(0) 0.000e+00 Aragonite -0.14 -8.48 -8.34 CaCO3 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -22.05 -24.85 -2.80 CH4 + CH4(g) -22.05 -24.86 -2.80 CH4 CO2(g) -2.00 -3.47 -1.47 CO2 Pressure 0.0 atm, phi 1.000 H2(g) -11.49 -14.59 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -229,48 +229,48 @@ Initial solution 2. Seawater pH = 8.220 pe = 8.451 - Specific Conductance (µS/cm, 25°C) = 52855 + Specific Conductance (µS/cm, 25°C) = 52856 Density (g/cm³) = 1.02328 Volume (L) = 1.01278 - Viscosity (mPa s) = 0.96027 + Viscosity (mPa s) = 0.96029 Activity of water = 0.981 Ionic strength (mol/kgw) = 6.704e-01 Mass of water (kg) = 1.000e+00 - Total carbon (mol/kg) = 2.240e-03 - Total CO2 (mol/kg) = 2.240e-03 + Total carbon (mol/kg) = 2.238e-03 + Total CO2 (mol/kg) = 2.238e-03 Temperature (°C) = 25.00 Electrical balance (eq) = 7.967e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Iterations = 8 Total H = 1.110148e+02 - Total O = 5.563027e+01 + Total O = 5.563026e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.64 + OH- 2.703e-06 1.647e-06 -5.568 -5.783 -0.215 -2.63 H+ 7.981e-09 6.026e-09 -8.098 -8.220 -0.122 0.00 H2O 5.551e+01 9.806e-01 1.744 -0.008 0.000 18.07 -C(4) 2.240e-03 - HCO3- 1.520e-03 1.027e-03 -2.818 -2.988 -0.170 25.99 - MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82 - NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73 - MgCO3 9.395e-05 1.096e-04 -4.027 -3.960 0.067 -17.09 - CaHCO3+ 4.704e-05 3.256e-05 -4.328 -4.487 -0.160 9.96 - CO3-2 3.835e-05 7.993e-06 -4.416 -5.097 -0.681 -0.52 - CaCO3 2.859e-05 3.337e-05 -4.544 -4.477 0.067 -14.60 - CO2 1.281e-05 1.419e-05 -4.892 -4.848 0.044 34.43 - KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03 - (CO2)2 3.166e-12 3.695e-12 -11.499 -11.432 0.067 68.87 +C(4) 2.238e-03 + HCO3- 1.541e-03 1.041e-03 -2.812 -2.982 -0.170 25.99 + MgHCO3+ 2.783e-04 1.751e-04 -3.556 -3.757 -0.201 5.82 + NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 + MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09 + CO3-2 3.889e-05 8.104e-06 -4.410 -5.091 -0.681 -0.52 + CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60 + CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92 + CO2 1.299e-05 1.438e-05 -4.886 -4.842 0.044 34.43 + KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03 + (CO2)2 3.254e-12 3.798e-12 -11.488 -11.420 0.067 68.87 Ca 1.066e-02 - Ca+2 9.933e-03 2.485e-03 -2.003 -2.605 -0.602 -16.70 - CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50 - CaHCO3+ 4.704e-05 3.256e-05 -4.328 -4.487 -0.160 9.96 - CaCO3 2.859e-05 3.337e-05 -4.544 -4.477 0.067 -14.60 - CaOH+ 8.992e-08 6.712e-08 -7.046 -7.173 -0.127 (0) - CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0) + Ca+2 9.964e-03 2.493e-03 -2.002 -2.603 -0.602 -16.70 + CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50 + CaCO3 2.908e-05 3.393e-05 -4.536 -4.469 0.067 -14.60 + CaHCO3+ 1.446e-05 1.001e-05 -4.840 -5.000 -0.160 122.92 + CaOH+ 9.020e-08 6.732e-08 -7.045 -7.172 -0.127 (0) + CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0) Cl 5.657e-01 Cl- 5.657e-01 3.570e-01 -0.247 -0.447 -0.200 18.79 HCl 3.842e-10 7.411e-10 -9.415 -9.130 0.285 (0) @@ -278,34 +278,34 @@ H(0) 5.521e-37 H2 2.760e-37 3.221e-37 -36.559 -36.492 0.067 28.61 K 1.058e-02 K+ 1.039e-02 6.478e-03 -1.983 -2.189 -0.205 9.66 - KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35 - KHCO3 2.929e-06 2.972e-06 -5.533 -5.527 0.006 41.03 + KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34 + KHCO3 2.970e-06 3.013e-06 -5.527 -5.521 0.006 41.03 Mg 5.507e-02 - Mg+2 4.980e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42 - MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92 - MgHCO3+ 2.745e-04 1.727e-04 -3.562 -3.763 -0.201 5.82 - Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91 - MgCO3 9.395e-05 1.096e-04 -4.027 -3.960 0.067 -17.09 + Mg+2 4.979e-02 1.437e-02 -1.303 -1.842 -0.540 -20.42 + MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92 + MgHCO3+ 2.783e-04 1.751e-04 -3.556 -3.757 -0.201 5.82 + Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91 + MgCO3 9.524e-05 1.111e-04 -4.021 -3.954 0.067 -17.09 MgOH+ 1.205e-05 8.493e-06 -4.919 -5.071 -0.152 (0) Na 4.854e-01 Na+ 4.712e-01 3.381e-01 -0.327 -0.471 -0.144 -0.51 - NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22 - NaHCO3 2.221e-04 3.024e-04 -3.653 -3.519 0.134 31.73 + NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 + NaHCO3 2.252e-04 3.066e-04 -3.647 -3.513 0.134 31.73 NaOH 4.773e-17 5.570e-17 -16.321 -16.254 0.067 (0) O(0) 6.622e-20 O2 3.311e-20 3.864e-20 -19.480 -19.413 0.067 30.40 S(6) 2.926e-02 - NaSO4- 1.396e-02 9.474e-03 -1.855 -2.023 -0.168 8.22 - SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.41 - MgSO4 4.757e-03 6.477e-03 -2.323 -2.189 0.134 -7.92 - CaSO4 6.518e-04 7.606e-04 -3.186 -3.119 0.067 7.50 - KSO4- 1.873e-04 1.697e-04 -3.728 -3.770 -0.043 11.35 - Mg(SO4)2-2 1.297e-04 3.672e-05 -3.887 -4.435 -0.548 32.91 + NaSO4- 1.396e-02 9.473e-03 -1.855 -2.024 -0.168 8.22 + SO4-2 9.440e-03 1.721e-03 -2.025 -2.764 -0.739 38.42 + MgSO4 4.756e-03 6.476e-03 -2.323 -2.189 0.134 -7.92 + CaSO4 6.537e-04 7.628e-04 -3.185 -3.118 0.067 7.50 + KSO4- 1.873e-04 1.696e-04 -3.728 -3.770 -0.043 11.34 + Mg(SO4)2-2 1.296e-04 3.671e-05 -3.887 -4.435 -0.548 32.91 HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96 - CaHSO4+ 4.036e-11 3.012e-11 -10.394 -10.521 -0.127 (0) + CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0) Si 7.382e-05 H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08 - H3SiO4- 3.205e-06 2.016e-06 -5.494 -5.695 -0.201 28.72 + H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72 H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0) ------------------------------Saturation indices------------------------------- @@ -313,15 +313,15 @@ Si 7.382e-05 Phase SI** log IAP log K(298 K, 1 atm) Anhydrite -1.09 -5.37 -4.28 CaSO4 - Aragonite 0.63 -7.70 -8.34 CaCO3 + Aragonite 0.64 -7.69 -8.34 CaCO3 Arcanite -5.26 -7.14 -1.88 K2SO4 - Calcite 0.78 -7.70 -8.48 CaCO3 + Calcite 0.79 -7.69 -8.48 CaCO3 Chalcedony -0.52 -4.07 -3.55 SiO2 - Chrysotile 3.42 35.62 32.20 Mg3Si2O5(OH)4 - CO2(g) -3.38 -4.85 -1.47 CO2 - Dolomite 2.44 -14.64 -17.08 CaMg(CO3)2 + Chrysotile 3.41 35.62 32.20 Mg3Si2O5(OH)4 + CO2(g) -3.37 -4.84 -1.47 CO2 + Dolomite 2.46 -14.63 -17.08 CaMg(CO3)2 Epsomite -2.93 -4.67 -1.74 MgSO4:7H2O - Gypsum -0.80 -5.39 -4.58 CaSO4:2H2O + Gypsum -0.80 -5.38 -4.58 CaSO4:2H2O H2(g) -33.39 -36.49 -3.10 H2 H2O(g) -1.51 -0.01 1.50 H2O Halite -2.49 -0.92 1.57 NaCl @@ -377,8 +377,8 @@ Mixture 1. Elements Molality Moles - C 3.207e-03 3.207e-03 - Ca 4.350e-03 4.350e-03 + C 3.175e-03 3.175e-03 + Ca 4.334e-03 4.334e-03 Cl 1.697e-01 1.697e-01 K 3.173e-03 3.173e-03 Mg 1.652e-02 1.652e-02 @@ -388,93 +388,93 @@ Mixture 1. ----------------------------Description of solution---------------------------- - pH = 7.326 Charge balance - pe = 10.569 Adjusted to redox equilibrium + pH = 7.327 Charge balance + pe = 10.559 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 18310 - Density (g/cm³) = 1.00527 + Density (g/cm³) = 1.00526 Volume (L) = 1.00578 - Viscosity (mPa s) = 0.91372 + Viscosity (mPa s) = 0.91373 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.068e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.026e-03 - Total CO2 (mol/kg) = 3.207e-03 + Total alkalinity (eq/kg) = 2.994e-03 + Total CO2 (mol/kg) = 3.175e-03 Temperature (°C) = 25.00 Electrical balance (eq) = 2.390e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 Iterations = 16 Total H = 1.110131e+02 - Total O = 5.554965e+01 + Total O = 5.554957e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 3.025e-07 2.130e-07 -6.519 -6.672 -0.152 -3.48 - H+ 5.933e-08 4.724e-08 -7.227 -7.326 -0.099 0.00 + OH- 3.031e-07 2.134e-07 -6.518 -6.671 -0.152 -3.48 + H+ 5.921e-08 4.715e-08 -7.228 -7.327 -0.099 0.00 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 -122.465 -122.445 0.021 35.46 -C(4) 3.207e-03 - HCO3- 2.617e-03 1.947e-03 -2.582 -2.711 -0.128 25.15 - CO2 2.016e-04 2.080e-04 -3.696 -3.682 0.014 34.43 - NaHCO3 1.641e-04 1.805e-04 -3.785 -3.743 0.041 31.73 - MgHCO3+ 1.612e-04 1.154e-04 -3.793 -3.938 -0.145 5.72 - CaHCO3+ 4.236e-05 3.196e-05 -4.373 -4.495 -0.122 9.88 - MgCO3 8.908e-06 9.342e-06 -5.050 -5.030 0.021 -17.09 - CO3-2 6.305e-06 1.933e-06 -5.200 -5.714 -0.514 -2.19 - CaCO3 3.984e-06 4.178e-06 -5.400 -5.379 0.021 -14.60 - KHCO3 1.917e-06 1.926e-06 -5.717 -5.715 0.002 41.03 - (CO2)2 7.575e-10 7.944e-10 -9.121 -9.100 0.021 68.87 -Ca 4.350e-03 - Ca+2 4.041e-03 1.287e-03 -2.394 -2.891 -0.497 -17.20 - CaSO4 2.631e-04 2.759e-04 -3.580 -3.559 0.021 7.50 - CaHCO3+ 4.236e-05 3.196e-05 -4.373 -4.495 -0.122 9.88 - CaCO3 3.984e-06 4.178e-06 -5.400 -5.379 0.021 -14.60 - CaOH+ 6.031e-09 4.494e-09 -8.220 -8.347 -0.128 (0) - CaHSO4+ 1.150e-10 8.567e-11 -9.939 -10.067 -0.128 (0) + CH4 0.000e+00 0.000e+00 -122.395 -122.374 0.021 35.46 +C(4) 3.175e-03 + HCO3- 2.615e-03 1.945e-03 -2.583 -2.711 -0.128 25.15 + CO2 2.010e-04 2.074e-04 -3.697 -3.683 0.014 34.43 + NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73 + MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72 + CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 122.85 + MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09 + CO3-2 6.313e-06 1.935e-06 -5.200 -5.713 -0.514 -2.19 + CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60 + KHCO3 1.915e-06 1.924e-06 -5.718 -5.716 0.002 41.03 + (CO2)2 7.531e-10 7.898e-10 -9.123 -9.102 0.021 68.87 +Ca 4.334e-03 + Ca+2 4.054e-03 1.291e-03 -2.392 -2.889 -0.497 -17.20 + CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50 + CaHCO3+ 1.284e-05 9.686e-06 -4.892 -5.014 -0.122 122.85 + CaCO3 4.001e-06 4.196e-06 -5.398 -5.377 0.021 -14.60 + CaOH+ 6.063e-09 4.517e-09 -8.217 -8.345 -0.128 (0) + CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0) Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46 - HCl 1.608e-09 1.970e-09 -8.794 -8.706 0.088 (0) -H(0) 2.192e-39 - H2 1.096e-39 1.149e-39 -38.960 -38.940 0.021 28.61 + HCl 1.605e-09 1.965e-09 -8.795 -8.707 0.088 (0) +H(0) 2.284e-39 + H2 1.142e-39 1.198e-39 -38.942 -38.922 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 - KSO4- 4.986e-05 4.062e-05 -4.302 -4.391 -0.089 14.03 - KHCO3 1.917e-06 1.926e-06 -5.717 -5.715 0.002 41.03 + KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03 + KHCO3 1.915e-06 1.924e-06 -5.718 -5.716 0.002 41.03 Mg 1.652e-02 Mg+2 1.488e-02 5.065e-03 -1.827 -2.295 -0.468 -20.91 MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92 - MgHCO3+ 1.612e-04 1.154e-04 -3.793 -3.938 -0.145 5.72 - Mg(SO4)2-2 1.764e-05 6.350e-06 -4.753 -5.197 -0.444 24.64 - MgCO3 8.908e-06 9.342e-06 -5.050 -5.030 0.021 -17.09 - MgOH+ 5.074e-07 3.870e-07 -6.295 -6.412 -0.118 (0) + MgHCO3+ 1.611e-04 1.153e-04 -3.793 -3.938 -0.145 5.72 + Mg(SO4)2-2 1.764e-05 6.349e-06 -4.754 -5.197 -0.444 24.64 + MgCO3 8.919e-06 9.354e-06 -5.050 -5.029 0.021 -17.09 + MgOH+ 5.085e-07 3.878e-07 -6.294 -6.411 -0.118 (0) Na 1.456e-01 Na+ 1.427e-01 1.065e-01 -0.846 -0.973 -0.127 -0.92 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 - NaHCO3 1.641e-04 1.805e-04 -3.785 -3.743 0.041 31.73 - NaOH 2.162e-18 2.267e-18 -17.665 -17.645 0.021 (0) -O(0) 5.947e-15 - O2 2.973e-15 3.119e-15 -14.527 -14.506 0.021 30.40 + NaHCO3 1.640e-04 1.804e-04 -3.785 -3.744 0.041 31.73 + NaOH 2.166e-18 2.272e-18 -17.664 -17.644 0.021 (0) +O(0) 5.475e-15 + O2 2.738e-15 2.871e-15 -14.563 -14.542 0.021 30.40 S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -119.590 -119.742 -0.152 21.00 - H2S 0.000e+00 0.000e+00 -120.147 -120.126 0.021 36.27 - S-2 0.000e+00 0.000e+00 -124.804 -125.335 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -241.552 -241.531 0.021 30.09 + HS- 0.000e+00 0.000e+00 -119.519 -119.672 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -120.077 -120.056 0.021 36.27 + S-2 0.000e+00 0.000e+00 -124.732 -125.263 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -241.412 -241.391 0.021 30.09 S(6) 8.777e-03 SO4-2 4.174e-03 1.206e-03 -2.379 -2.919 -0.539 28.42 NaSO4- 2.801e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 MgSO4 1.454e-03 1.599e-03 -2.838 -2.796 0.041 -7.92 - CaSO4 2.631e-04 2.759e-04 -3.580 -3.559 0.021 7.50 - KSO4- 4.986e-05 4.062e-05 -4.302 -4.391 -0.089 14.03 - Mg(SO4)2-2 1.764e-05 6.350e-06 -4.753 -5.197 -0.444 24.64 - HSO4- 7.433e-09 5.538e-09 -8.129 -8.257 -0.128 40.66 - CaHSO4+ 1.150e-10 8.567e-11 -9.939 -10.067 -0.128 (0) + CaSO4 2.639e-04 2.767e-04 -3.579 -3.558 0.021 7.50 + KSO4- 4.986e-05 4.061e-05 -4.302 -4.391 -0.089 14.03 + Mg(SO4)2-2 1.764e-05 6.349e-06 -4.754 -5.197 -0.444 24.64 + HSO4- 7.416e-09 5.526e-09 -8.130 -8.258 -0.128 40.66 + CaHSO4+ 1.151e-10 8.576e-11 -9.939 -10.067 -0.128 (0) Si 2.215e-05 H4SiO4 2.205e-05 2.312e-05 -4.657 -4.636 0.021 52.08 - H3SiO4- 1.008e-07 7.217e-08 -6.996 -7.142 -0.145 28.37 - H2SiO4-2 3.390e-13 1.039e-13 -12.470 -12.983 -0.514 (0) + H3SiO4- 1.010e-07 7.231e-08 -6.996 -7.141 -0.145 28.37 + H2SiO4-2 3.404e-13 1.043e-13 -12.468 -12.982 -0.514 (0) ------------------------------Saturation indices------------------------------- @@ -484,28 +484,28 @@ Si 2.215e-05 Aragonite -0.27 -8.60 -8.34 CaCO3 Arcanite -6.35 -8.23 -1.88 K2SO4 Calcite -0.12 -8.60 -8.48 CaCO3 - CH4(g) -119.64 -122.44 -2.80 CH4 + CH4(g) -119.57 -122.37 -2.80 CH4 Chalcedony -1.08 -4.63 -3.55 SiO2 - Chrysotile -4.41 27.79 32.20 Mg3Si2O5(OH)4 + Chrysotile -4.40 27.80 32.20 Mg3Si2O5(OH)4 CO2(g) -2.21 -3.68 -1.47 CO2 Dolomite 0.47 -16.61 -17.08 CaMg(CO3)2 Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O - H2(g) -35.84 -38.94 -3.10 H2 + H2(g) -35.82 -38.92 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -119.13 -127.07 -7.94 H2S + H2S(g) -119.06 -127.00 -7.94 H2S Halite -3.46 -1.89 1.57 NaCl Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O Kieserite -4.06 -5.22 -1.16 MgSO4:H2O Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O - O2(g) -11.61 -14.51 -2.89 O2 + O2(g) -11.65 -14.54 -2.89 O2 Quartz -0.65 -4.63 -3.98 SiO2 Sepiolite -4.95 10.81 15.76 Mg2Si3O7.5OH:3H2O Sepiolite(d) -7.85 10.81 18.66 Mg2Si3O7.5OH:3H2O SiO2(a) -1.92 -4.63 -2.71 SiO2 - Sulfur -89.22 -84.34 4.88 S + Sulfur -89.17 -84.28 4.88 S Sylvite -4.47 -3.57 0.90 KCl - Talc -2.86 18.53 21.40 Mg3Si4O10(OH)2 + Talc -2.86 18.54 21.40 Mg3Si4O10(OH)2 Thenardite -4.56 -4.86 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -545,111 +545,111 @@ Using pure phase assemblage 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+01 9.985e+00 -1.546e-02 -Dolomite -0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.807e-03 +Calcite 0.00 -8.48 -8.48 1.000e+01 9.985e+00 -1.541e-02 +Dolomite 0.00 -17.08 -17.08 1.000e+01 1.001e+01 7.786e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 3.057e-03 3.057e-03 - Ca 1.201e-02 1.201e-02 + C 3.016e-03 3.016e-03 + Ca 1.196e-02 1.196e-02 Cl 1.697e-01 1.697e-01 K 3.173e-03 3.173e-03 - Mg 8.713e-03 8.713e-03 + Mg 8.734e-03 8.734e-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 = 7.052 Charge balance - pe = -1.301 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18477 - Density (g/cm³) = 1.00534 - Volume (L) = 1.00582 - Viscosity (mPa s) = 0.91245 + pH = 7.047 Charge balance + pe = 10.927 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 18479 + Density (g/cm³) = 1.00533 + Volume (L) = 1.00583 + Viscosity (mPa s) = 0.91249 Activity of water = 0.994 - Ionic strength (mol/kgw) = 2.070e-01 + Ionic strength (mol/kgw) = 2.071e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.725e-03 - Total CO2 (mol/kg) = 3.057e-03 + Total alkalinity (eq/kg) = 2.677e-03 + Total CO2 (mol/kg) = 3.016e-03 Temperature (°C) = 25.00 Electrical balance (eq) = 2.390e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 - Iterations = 16 + Iterations = 5 Total H = 1.110131e+02 - Total O = 5.554920e+01 + Total O = 5.554910e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.612e-07 1.135e-07 -6.793 -6.945 -0.152 -3.48 - H+ 1.113e-07 8.865e-08 -6.953 -7.052 -0.099 0.00 + OH- 1.593e-07 1.121e-07 -6.798 -6.950 -0.152 -3.48 + H+ 1.127e-07 8.972e-08 -6.948 -7.047 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 -C(-4) 8.153e-26 - CH4 8.153e-26 8.551e-26 -25.089 -25.068 0.021 35.46 -C(4) 3.057e-03 - HCO3- 2.370e-03 1.764e-03 -2.625 -2.754 -0.128 25.15 - CO2 3.427e-04 3.536e-04 -3.465 -3.451 0.014 34.43 - NaHCO3 1.486e-04 1.634e-04 -3.828 -3.787 0.041 31.73 - CaHCO3+ 1.059e-04 7.987e-05 -3.975 -4.098 -0.122 9.88 - MgHCO3+ 7.690e-05 5.504e-05 -4.114 -4.259 -0.145 5.72 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -122.863 -122.842 0.021 35.46 +C(4) 3.016e-03 + HCO3- 2.394e-03 1.781e-03 -2.621 -2.749 -0.128 25.15 + CO2 3.502e-04 3.614e-04 -3.456 -3.442 0.014 34.43 + NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73 + MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72 + CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 122.85 CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60 - CO3-2 3.045e-06 9.330e-07 -5.516 -6.030 -0.514 -2.19 + CO3-2 3.038e-06 9.308e-07 -5.517 -6.031 -0.514 -2.19 MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09 - KHCO3 1.735e-06 1.743e-06 -5.761 -5.759 0.002 41.03 - (CO2)2 2.188e-09 2.295e-09 -8.660 -8.639 0.021 68.87 -Ca 1.201e-02 - Ca+2 1.115e-02 3.550e-03 -1.953 -2.450 -0.497 -17.20 - CaSO4 7.461e-04 7.826e-04 -3.127 -3.106 0.021 7.50 - CaHCO3+ 1.059e-04 7.987e-05 -3.975 -4.098 -0.122 9.88 + KHCO3 1.752e-06 1.760e-06 -5.756 -5.754 0.002 41.03 + (CO2)2 2.285e-09 2.397e-09 -8.641 -8.620 0.021 68.87 +Ca 1.196e-02 + Ca+2 1.118e-02 3.558e-03 -1.952 -2.449 -0.497 -17.20 + CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50 + CaHCO3+ 3.239e-05 2.444e-05 -4.490 -4.612 -0.122 122.85 CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60 - CaOH+ 8.866e-09 6.606e-09 -8.052 -8.180 -0.128 (0) - CaHSO4+ 6.121e-10 4.560e-10 -9.213 -9.341 -0.128 (0) + CaOH+ 8.781e-09 6.542e-09 -8.056 -8.184 -0.128 (0) + CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0) Cl 1.697e-01 Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 - HCl 3.017e-09 3.696e-09 -8.520 -8.432 0.088 (0) -H(0) 4.240e-15 - H2 2.120e-15 2.223e-15 -14.674 -14.653 0.021 28.61 + HCl 3.053e-09 3.740e-09 -8.515 -8.427 0.088 (0) +H(0) 1.519e-39 + H2 7.594e-40 7.965e-40 -39.120 -39.099 0.021 28.61 K 3.173e-03 K+ 3.120e-03 2.213e-03 -2.506 -2.655 -0.149 9.35 - KSO4- 5.125e-05 4.174e-05 -4.290 -4.379 -0.089 14.03 - KHCO3 1.735e-06 1.743e-06 -5.761 -5.759 0.002 41.03 -Mg 8.713e-03 - Mg+2 7.837e-03 2.667e-03 -2.106 -2.574 -0.468 -20.91 - MgSO4 7.871e-04 8.658e-04 -3.104 -3.063 0.041 -7.92 - MgHCO3+ 7.690e-05 5.504e-05 -4.114 -4.259 -0.145 5.72 - Mg(SO4)2-2 9.826e-06 3.536e-06 -5.008 -5.452 -0.444 24.65 + KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03 + KHCO3 1.752e-06 1.760e-06 -5.756 -5.754 0.002 41.03 +Mg 8.734e-03 + Mg+2 7.855e-03 2.674e-03 -2.105 -2.573 -0.468 -20.91 + MgSO4 7.885e-04 8.675e-04 -3.103 -3.062 0.041 -7.92 + MgHCO3+ 7.783e-05 5.571e-05 -4.109 -4.254 -0.145 5.72 + Mg(SO4)2-2 9.841e-06 3.541e-06 -5.007 -5.451 -0.444 24.65 MgCO3 2.264e-06 2.375e-06 -5.645 -5.624 0.021 -17.09 - MgOH+ 1.424e-07 1.086e-07 -6.846 -6.964 -0.118 (0) + MgOH+ 1.410e-07 1.076e-07 -6.851 -6.968 -0.118 (0) Na 1.456e-01 Na+ 1.426e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 - NaSO4- 2.879e-03 2.147e-03 -2.541 -2.668 -0.127 -0.72 - NaHCO3 1.486e-04 1.634e-04 -3.828 -3.787 0.041 31.73 - NaOH 1.151e-18 1.208e-18 -17.939 -17.918 0.021 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.100 -63.079 0.021 30.40 -S(-2) 1.056e-22 - HS- 6.946e-23 4.891e-23 -22.158 -22.311 -0.152 21.00 - H2S 3.615e-23 3.791e-23 -22.442 -22.421 0.021 36.27 - S-2 2.264e-28 6.663e-29 -27.645 -28.176 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -46.141 -46.121 0.021 30.09 + NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 + NaHCO3 1.500e-04 1.650e-04 -3.824 -3.782 0.041 31.73 + NaOH 1.138e-18 1.193e-18 -17.944 -17.923 0.021 (0) +O(0) 1.238e-14 + O2 6.191e-15 6.493e-15 -14.208 -14.188 0.021 30.40 +S(-2) 0.000e+00 + HS- 0.000e+00 0.000e+00 -119.936 -120.089 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -120.215 -120.194 0.021 36.27 + S-2 0.000e+00 0.000e+00 -125.428 -125.960 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -241.688 -241.667 0.021 30.09 S(6) 8.777e-03 - SO4-2 4.294e-03 1.240e-03 -2.367 -2.907 -0.540 28.43 - NaSO4- 2.879e-03 2.147e-03 -2.541 -2.668 -0.127 -0.72 - MgSO4 7.871e-04 8.658e-04 -3.104 -3.063 0.041 -7.92 - CaSO4 7.461e-04 7.826e-04 -3.127 -3.106 0.021 7.50 - KSO4- 5.125e-05 4.174e-05 -4.290 -4.379 -0.089 14.03 - Mg(SO4)2-2 9.826e-06 3.536e-06 -5.008 -5.452 -0.444 24.65 - HSO4- 1.434e-08 1.069e-08 -7.843 -7.971 -0.128 40.66 - CaHSO4+ 6.121e-10 4.560e-10 -9.213 -9.341 -0.128 (0) + SO4-2 4.293e-03 1.239e-03 -2.367 -2.907 -0.540 28.43 + NaSO4- 2.878e-03 2.146e-03 -2.541 -2.668 -0.127 -0.71 + MgSO4 7.885e-04 8.675e-04 -3.103 -3.062 0.041 -7.92 + CaSO4 7.475e-04 7.840e-04 -3.126 -3.106 0.021 7.50 + KSO4- 5.122e-05 4.172e-05 -4.291 -4.380 -0.089 14.03 + Mg(SO4)2-2 9.841e-06 3.541e-06 -5.007 -5.451 -0.444 24.65 + HSO4- 1.451e-08 1.081e-08 -7.838 -7.966 -0.128 40.66 + CaHSO4+ 6.206e-10 4.624e-10 -9.207 -9.335 -0.128 (0) Si 2.215e-05 H4SiO4 2.209e-05 2.317e-05 -4.656 -4.635 0.021 52.08 - H3SiO4- 5.385e-08 3.854e-08 -7.269 -7.414 -0.145 28.37 - H2SiO4-2 9.651e-14 2.957e-14 -13.015 -13.529 -0.514 (0) + H3SiO4- 5.321e-08 3.808e-08 -7.274 -7.419 -0.145 28.37 + H2SiO4-2 9.424e-14 2.887e-14 -13.026 -13.540 -0.514 (0) ------------------------------Saturation indices------------------------------- @@ -659,28 +659,28 @@ Si 2.215e-05 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.34 -8.22 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -22.27 -25.07 -2.80 CH4 + CH4(g) -120.04 -122.84 -2.80 CH4 Chalcedony -1.08 -4.63 -3.55 SiO2 - Chrysotile -6.88 25.32 32.20 Mg3Si2O5(OH)4 - CO2(g) -1.98 -3.45 -1.47 CO2 - Dolomite -0.00 -17.08 -17.08 CaMg(CO3)2 + Chrysotile -6.91 25.29 32.20 Mg3Si2O5(OH)4 + CO2(g) -1.97 -3.44 -1.47 CO2 + Dolomite 0.00 -17.08 -17.08 CaMg(CO3)2 Epsomite -3.76 -5.50 -1.74 MgSO4:7H2O Gypsum -0.78 -5.36 -4.58 CaSO4:2H2O - H2(g) -11.55 -14.65 -3.10 H2 + H2(g) -36.00 -39.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -21.43 -29.36 -7.94 H2S + H2S(g) -119.20 -127.14 -7.94 H2S Halite -3.46 -1.89 1.57 NaCl Hexahydrite -3.93 -5.50 -1.57 MgSO4:6H2O Kieserite -4.32 -5.48 -1.16 MgSO4:H2O Mirabilite -3.64 -4.88 -1.24 Na2SO4:10H2O - O2(g) -60.19 -63.08 -2.89 O2 + O2(g) -11.30 -14.19 -2.89 O2 Quartz -0.65 -4.63 -3.98 SiO2 - Sepiolite -6.60 9.16 15.76 Mg2Si3O7.5OH:3H2O - Sepiolite(d) -9.50 9.16 18.66 Mg2Si3O7.5OH:3H2O + Sepiolite -6.62 9.14 15.76 Mg2Si3O7.5OH:3H2O + Sepiolite(d) -9.52 9.14 18.66 Mg2Si3O7.5OH:3H2O SiO2(a) -1.92 -4.63 -2.71 SiO2 - Sulfur -15.80 -10.92 4.88 S + Sulfur -89.13 -84.25 4.88 S Sylvite -4.47 -3.57 0.90 KCl - Talc -5.34 16.06 21.40 Mg3Si4O10(OH)2 + Talc -5.36 16.03 21.40 Mg3Si4O10(OH)2 Thenardite -4.55 -4.85 -0.30 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -719,14 +719,14 @@ Using pure phase assemblage 2. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.676e-05 +Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.587e-05 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 3.254e-03 3.254e-03 - Ca 4.397e-03 4.397e-03 + C 3.221e-03 3.220e-03 + Ca 4.380e-03 4.380e-03 Cl 1.697e-01 1.697e-01 K 3.173e-03 3.173e-03 Mg 1.652e-02 1.652e-02 @@ -736,122 +736,122 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.676e-05 ----------------------------Description of solution---------------------------- - pH = 7.434 Charge balance - pe = -1.771 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 18314 + pH = 7.433 Charge balance + pe = 10.542 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 18315 Density (g/cm³) = 1.00527 Volume (L) = 1.00578 Viscosity (mPa s) = 0.91380 Activity of water = 0.994 Ionic strength (mol/kgw) = 2.069e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 3.119e-03 - Total CO2 (mol/kg) = 3.254e-03 + Total alkalinity (eq/kg) = 3.085e-03 + Total CO2 (mol/kg) = 3.221e-03 Temperature (°C) = 25.00 Electrical balance (eq) = 2.390e-04 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.07 - Iterations = 15 + Iterations = 3 Total H = 1.110131e+02 - Total O = 5.554979e+01 + Total O = 5.554971e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 3.883e-07 2.734e-07 -6.411 -6.563 -0.152 -3.48 - H+ 4.622e-08 3.680e-08 -7.335 -7.434 -0.099 0.00 + OH- 3.874e-07 2.728e-07 -6.412 -6.564 -0.152 -3.48 + H+ 4.632e-08 3.688e-08 -7.334 -7.433 -0.099 0.00 H2O 5.551e+01 9.941e-01 1.744 -0.003 0.000 18.07 -C(-4) 1.937e-25 - CH4 1.937e-25 2.032e-25 -24.713 -24.692 0.021 35.46 -C(4) 3.254e-03 - HCO3- 2.687e-03 1.999e-03 -2.571 -2.699 -0.128 25.15 - NaHCO3 1.685e-04 1.854e-04 -3.773 -3.732 0.041 31.73 - MgHCO3+ 1.655e-04 1.184e-04 -3.781 -3.926 -0.145 5.72 - CO2 1.613e-04 1.664e-04 -3.792 -3.779 0.014 34.43 - CaHCO3+ 4.394e-05 3.316e-05 -4.357 -4.479 -0.122 9.88 - MgCO3 1.174e-05 1.231e-05 -4.930 -4.910 0.021 -17.09 - CO3-2 8.314e-06 2.548e-06 -5.080 -5.594 -0.514 -2.19 +C(-4) 0.000e+00 + CH4 0.000e+00 0.000e+00 -123.201 -123.180 0.021 35.46 +C(4) 3.221e-03 + HCO3- 2.685e-03 1.998e-03 -2.571 -2.699 -0.128 25.15 + NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73 + MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72 + CO2 1.615e-04 1.666e-04 -3.792 -3.778 0.014 34.43 + CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 122.85 + MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09 + CO3-2 8.287e-06 2.540e-06 -5.082 -5.595 -0.514 -2.19 CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60 - KHCO3 1.968e-06 1.977e-06 -5.706 -5.704 0.002 41.03 - (CO2)2 4.848e-10 5.084e-10 -9.314 -9.294 0.021 68.87 -Ca 4.397e-03 - Ca+2 4.082e-03 1.300e-03 -2.389 -2.886 -0.497 -17.20 - CaSO4 2.656e-04 2.786e-04 -3.576 -3.555 0.021 7.50 - CaHCO3+ 4.394e-05 3.316e-05 -4.357 -4.479 -0.122 9.88 + KHCO3 1.967e-06 1.975e-06 -5.706 -5.704 0.002 41.03 + (CO2)2 4.860e-10 5.097e-10 -9.313 -9.293 0.021 68.87 +Ca 4.380e-03 + Ca+2 4.095e-03 1.304e-03 -2.388 -2.885 -0.497 -17.20 + CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50 + CaHCO3+ 1.332e-05 1.005e-05 -4.876 -4.998 -0.122 122.85 CaCO3 5.304e-06 5.563e-06 -5.275 -5.255 0.021 -14.60 - CaOH+ 7.820e-09 5.826e-09 -8.107 -8.235 -0.128 (0) - CaHSO4+ 9.045e-11 6.739e-11 -10.044 -10.171 -0.128 (0) + CaOH+ 7.828e-09 5.832e-09 -8.106 -8.234 -0.128 (0) + CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0) Cl 1.697e-01 - Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.46 - HCl 1.253e-09 1.534e-09 -8.902 -8.814 0.088 (0) -H(0) 6.355e-15 - H2 3.178e-15 3.333e-15 -14.498 -14.477 0.021 28.61 + Cl- 1.697e-01 1.210e-01 -0.770 -0.917 -0.147 18.47 + HCl 1.255e-09 1.538e-09 -8.901 -8.813 0.088 (0) +H(0) 1.517e-39 + H2 7.584e-40 7.954e-40 -39.120 -39.099 0.021 28.61 K 3.173e-03 K+ 3.122e-03 2.214e-03 -2.506 -2.655 -0.149 9.35 - KSO4- 4.984e-05 4.060e-05 -4.302 -4.391 -0.089 14.03 - KHCO3 1.968e-06 1.977e-06 -5.706 -5.704 0.002 41.03 + KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03 + KHCO3 1.967e-06 1.975e-06 -5.706 -5.704 0.002 41.03 Mg 1.652e-02 Mg+2 1.487e-02 5.063e-03 -1.828 -2.296 -0.468 -20.91 MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92 - MgHCO3+ 1.655e-04 1.184e-04 -3.781 -3.926 -0.145 5.72 - Mg(SO4)2-2 1.763e-05 6.343e-06 -4.754 -5.198 -0.444 24.64 - MgCO3 1.174e-05 1.231e-05 -4.930 -4.910 0.021 -17.09 - MgOH+ 6.511e-07 4.965e-07 -6.186 -6.304 -0.118 (0) + MgHCO3+ 1.653e-04 1.183e-04 -3.782 -3.927 -0.145 5.72 + Mg(SO4)2-2 1.762e-05 6.342e-06 -4.754 -5.198 -0.444 24.64 + MgCO3 1.170e-05 1.227e-05 -4.932 -4.911 0.021 -17.09 + MgOH+ 6.496e-07 4.954e-07 -6.187 -6.305 -0.118 (0) Na 1.456e-01 Na+ 1.427e-01 1.064e-01 -0.846 -0.973 -0.127 -0.92 - NaSO4- 2.800e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 - NaHCO3 1.685e-04 1.854e-04 -3.773 -3.732 0.041 31.73 - NaOH 2.775e-18 2.910e-18 -17.557 -17.536 0.021 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.451 -63.431 0.021 30.40 -S(-2) 1.721e-22 - HS- 1.415e-22 9.965e-23 -21.849 -22.002 -0.152 21.00 - H2S 3.057e-23 3.207e-23 -22.515 -22.494 0.021 36.27 - S-2 1.111e-27 3.270e-28 -26.954 -27.485 -0.531 (0) - (H2S)2 0.000e+00 0.000e+00 -46.287 -46.266 0.021 30.09 + NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 + NaHCO3 1.684e-04 1.852e-04 -3.774 -3.732 0.041 31.73 + NaOH 2.769e-18 2.904e-18 -17.558 -17.537 0.021 (0) +O(0) 1.242e-14 + O2 6.209e-15 6.512e-15 -14.207 -14.186 0.021 30.40 +S(-2) 0.000e+00 + HS- 0.000e+00 0.000e+00 -120.337 -120.489 -0.152 21.00 + H2S 0.000e+00 0.000e+00 -121.002 -120.981 0.021 36.27 + S-2 0.000e+00 0.000e+00 -125.443 -125.974 -0.531 (0) + (H2S)2 0.000e+00 0.000e+00 -243.261 -243.240 0.021 30.09 S(6) 8.777e-03 SO4-2 4.174e-03 1.205e-03 -2.379 -2.919 -0.539 28.43 - NaSO4- 2.800e-03 2.089e-03 -2.553 -2.680 -0.127 -0.72 + NaSO4- 2.800e-03 2.088e-03 -2.553 -2.680 -0.127 -0.72 MgSO4 1.452e-03 1.598e-03 -2.838 -2.797 0.041 -7.92 - CaSO4 2.656e-04 2.786e-04 -3.576 -3.555 0.021 7.50 - KSO4- 4.984e-05 4.060e-05 -4.302 -4.391 -0.089 14.03 - Mg(SO4)2-2 1.763e-05 6.343e-06 -4.754 -5.198 -0.444 24.64 - HSO4- 5.788e-09 4.313e-09 -8.237 -8.365 -0.128 40.66 - CaHSO4+ 9.045e-11 6.739e-11 -10.044 -10.171 -0.128 (0) + CaSO4 2.664e-04 2.794e-04 -3.574 -3.554 0.021 7.50 + KSO4- 4.984e-05 4.060e-05 -4.302 -4.392 -0.089 14.03 + Mg(SO4)2-2 1.762e-05 6.342e-06 -4.754 -5.198 -0.444 24.64 + HSO4- 5.801e-09 4.322e-09 -8.237 -8.364 -0.128 40.66 + CaHSO4+ 9.093e-11 6.775e-11 -10.041 -10.169 -0.128 (0) Si 2.215e-05 H4SiO4 2.202e-05 2.309e-05 -4.657 -4.637 0.021 52.08 - H3SiO4- 1.293e-07 9.252e-08 -6.889 -7.034 -0.145 28.37 - H2SiO4-2 5.580e-13 1.710e-13 -12.253 -12.767 -0.514 (0) + H3SiO4- 1.290e-07 9.232e-08 -6.890 -7.035 -0.145 28.37 + H2SiO4-2 5.555e-13 1.703e-13 -12.255 -12.769 -0.514 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Anhydrite -1.53 -5.81 -4.28 CaSO4 + Anhydrite -1.53 -5.80 -4.28 CaSO4 Aragonite -0.14 -8.48 -8.34 CaCO3 Arcanite -6.35 -8.23 -1.88 K2SO4 Calcite 0.00 -8.48 -8.48 CaCO3 - CH4(g) -21.89 -24.69 -2.80 CH4 + CH4(g) -120.38 -123.18 -2.80 CH4 Chalcedony -1.08 -4.63 -3.55 SiO2 Chrysotile -3.76 28.44 32.20 Mg3Si2O5(OH)4 CO2(g) -2.31 -3.78 -1.47 CO2 Dolomite 0.71 -16.37 -17.08 CaMg(CO3)2 Epsomite -3.49 -5.23 -1.74 MgSO4:7H2O Gypsum -1.23 -5.81 -4.58 CaSO4:2H2O - H2(g) -11.38 -14.48 -3.10 H2 + H2(g) -36.00 -39.10 -3.10 H2 H2O(g) -1.51 -0.00 1.50 H2O - H2S(g) -21.50 -29.44 -7.94 H2S + H2S(g) -119.99 -127.92 -7.94 H2S Halite -3.46 -1.89 1.57 NaCl Hexahydrite -3.66 -5.23 -1.57 MgSO4:6H2O Kieserite -4.06 -5.22 -1.16 MgSO4:H2O Mirabilite -3.65 -4.89 -1.24 Na2SO4:10H2O - O2(g) -60.54 -63.43 -2.89 O2 + O2(g) -11.29 -14.19 -2.89 O2 Quartz -0.65 -4.63 -3.98 SiO2 - Sepiolite -4.52 11.24 15.76 Mg2Si3O7.5OH:3H2O - Sepiolite(d) -7.42 11.24 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 -16.05 -11.17 4.88 S + Sulfur -89.91 -85.03 4.88 S Sylvite -4.47 -3.57 0.90 KCl Talc -2.22 19.18 21.40 Mg3Si4O10(OH)2 Thenardite -4.56 -4.86 -0.30 Na2SO4 diff --git a/ex4.out b/ex4.out index 61165384..f72a7446 100644 --- a/ex4.out +++ b/ex4.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -102,7 +102,7 @@ Initial solution 1. Precipitation from Central Oklahoma C(4) 1.091e-05 CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43 HCO3- 1.530e-07 1.513e-07 -6.815 -6.820 -0.005 24.56 - CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65 + CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62 MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46 (CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87 NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73 @@ -113,7 +113,7 @@ C(4) 1.091e-05 Ca 9.581e-06 Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22 CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50 - CaHCO3+ 1.787e-11 1.767e-11 -10.748 -10.753 -0.005 9.65 + CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62 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 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60 @@ -253,7 +253,7 @@ C(4) 2.182e-04 CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43 HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59 (CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87 - CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68 + CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64 MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03 @@ -264,7 +264,7 @@ Ca 1.916e-04 Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12 CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50 CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0) - CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68 + CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64 CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0) CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60 Cl 1.331e-04 @@ -424,7 +424,7 @@ C(4) 2.182e-04 CO2 2.180e-04 2.181e-04 -3.661 -3.661 0.000 34.43 HCO3- 1.425e-07 1.365e-07 -6.846 -6.865 -0.019 24.59 (CO2)2 8.728e-10 8.731e-10 -9.059 -9.059 0.000 68.87 - CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68 + CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64 MgHCO3+ 4.754e-11 4.551e-11 -10.323 -10.342 -0.019 5.48 NaHCO3 1.390e-11 1.391e-11 -10.857 -10.857 0.000 31.73 KHCO3 1.071e-12 1.071e-12 -11.970 -11.970 0.000 41.03 @@ -435,7 +435,7 @@ Ca 1.916e-04 Ca+2 1.857e-04 1.564e-04 -3.731 -3.806 -0.075 -18.12 CaSO4 5.792e-06 5.795e-06 -5.237 -5.237 0.000 7.50 CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0) - CaHCO3+ 2.842e-10 2.723e-10 -9.546 -9.565 -0.019 9.68 + CaHCO3+ 8.591e-11 8.233e-11 -10.066 -10.084 -0.019 122.64 CaOH+ 3.814e-14 3.651e-14 -13.419 -13.438 -0.019 (0) CaCO3 2.365e-15 2.366e-15 -14.626 -14.626 0.000 -14.60 Cl 1.331e-04 diff --git a/ex5.out b/ex5.out index feb86355..7c0c909f 100644 --- a/ex5.out +++ b/ex5.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -143,25 +143,25 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 -4.869e-04 -Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.933e-04 -Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.096e-08 +CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 -4.846e-04 +Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -4.910e-04 +Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.089e-08 Gypsum -6.13 -10.71 -4.58 0.000e+00 0 0.000e+00 -Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.144e-08 +Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.140e-08 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 9.802e-04 9.802e-04 - Ca 4.933e-04 4.933e-04 - Fe 2.048e-08 2.048e-08 - S 6.287e-08 6.287e-08 + C 9.756e-04 9.756e-04 + Ca 4.910e-04 4.910e-04 + Fe 2.051e-08 2.051e-08 + S 6.280e-08 6.280e-08 ----------------------------Description of solution---------------------------- pH = 8.279 Charge balance - pe = -4.943 Adjusted to redox equilibrium + pe = -4.942 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 96 Density (g/cm³) = 0.99711 Volume (L) = 1.00297 @@ -169,84 +169,84 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.144e-08 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.463e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.866e-04 - Total CO2 (mol/kg) = 9.801e-04 + Total alkalinity (eq/kg) = 9.820e-04 + Total CO2 (mol/kg) = 9.756e-04 Temperature (°C) = 25.00 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 14 Total H = 1.110124e+02 - Total O = 5.550867e+01 + Total O = 5.550866e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.010e-06 1.925e-06 -5.697 -5.716 -0.019 -4.10 - H+ 5.475e-09 5.258e-09 -8.262 -8.279 -0.018 0.00 + OH- 2.007e-06 1.923e-06 -5.697 -5.716 -0.019 -4.10 + H+ 5.481e-09 5.264e-09 -8.261 -8.279 -0.018 0.00 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 -C(-4) 5.384e-08 - CH4 5.384e-08 5.386e-08 -7.269 -7.269 0.000 35.46 -C(4) 9.801e-04 - HCO3- 9.493e-04 9.102e-04 -3.023 -3.041 -0.018 24.58 +C(-4) 5.377e-08 + CH4 5.377e-08 5.379e-08 -7.269 -7.269 0.000 35.46 +C(4) 9.756e-04 + HCO3- 9.482e-04 9.091e-04 -3.023 -3.041 -0.018 24.58 CO2 1.076e-05 1.076e-05 -4.968 -4.968 0.000 34.43 - CO3-2 9.605e-06 8.118e-06 -5.017 -5.091 -0.073 -3.91 + CO3-2 9.583e-06 8.099e-06 -5.019 -5.092 -0.073 -3.91 CaCO3 5.561e-06 5.563e-06 -5.255 -5.255 0.000 -14.60 - CaHCO3+ 4.939e-06 4.737e-06 -5.306 -5.324 -0.018 9.68 - FeCO3 2.598e-09 2.599e-09 -8.585 -8.585 0.000 (0) - FeHCO3+ 1.268e-09 1.215e-09 -8.897 -8.916 -0.019 (0) + CaHCO3+ 1.495e-06 1.434e-06 -5.825 -5.843 -0.018 122.64 + FeCO3 2.597e-09 2.598e-09 -8.585 -8.585 0.000 (0) + FeHCO3+ 1.269e-09 1.216e-09 -8.897 -8.915 -0.019 (0) (CO2)2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 68.87 -Ca 4.933e-04 - Ca+2 4.828e-04 4.079e-04 -3.316 -3.389 -0.073 -18.12 +Ca 4.910e-04 + Ca+2 4.840e-04 4.089e-04 -3.315 -3.388 -0.073 -18.12 CaCO3 5.561e-06 5.563e-06 -5.255 -5.255 0.000 -14.60 - CaHCO3+ 4.939e-06 4.737e-06 -5.306 -5.324 -0.018 9.68 - CaOH+ 1.344e-08 1.288e-08 -7.872 -7.890 -0.019 (0) - CaSO4 3.483e-09 3.484e-09 -8.458 -8.458 0.000 7.50 - CaHSO4+ 1.257e-16 1.204e-16 -15.901 -15.919 -0.019 (0) -Fe(2) 2.048e-08 - Fe+2 1.577e-08 1.335e-08 -7.802 -7.875 -0.073 -22.11 - FeCO3 2.598e-09 2.599e-09 -8.585 -8.585 0.000 (0) - FeHCO3+ 1.268e-09 1.215e-09 -8.897 -8.916 -0.019 (0) - FeOH+ 8.372e-10 8.026e-10 -9.077 -9.096 -0.018 (0) - Fe(OH)2 1.299e-12 1.299e-12 -11.887 -11.886 0.000 (0) - FeSO4 1.139e-13 1.140e-13 -12.943 -12.943 0.000 18.97 - Fe(OH)3- 9.575e-15 9.179e-15 -14.019 -14.037 -0.018 (0) - Fe(HS)2 6.282e-17 6.285e-17 -16.202 -16.202 0.000 (0) - FeHSO4+ 4.111e-21 3.939e-21 -20.386 -20.405 -0.019 (0) - Fe(HS)3- 1.642e-23 1.573e-23 -22.785 -22.803 -0.019 (0) -Fe(3) 3.369e-14 + CaHCO3+ 1.495e-06 1.434e-06 -5.825 -5.843 -0.018 122.64 + CaOH+ 1.345e-08 1.289e-08 -7.871 -7.890 -0.019 (0) + CaSO4 3.487e-09 3.488e-09 -8.458 -8.457 0.000 7.50 + CaHSO4+ 1.260e-16 1.207e-16 -15.900 -15.918 -0.019 (0) +Fe(2) 2.051e-08 + Fe+2 1.581e-08 1.337e-08 -7.801 -7.874 -0.073 -22.11 + FeCO3 2.597e-09 2.598e-09 -8.585 -8.585 0.000 (0) + FeHCO3+ 1.269e-09 1.216e-09 -8.897 -8.915 -0.019 (0) + FeOH+ 8.381e-10 8.034e-10 -9.077 -9.095 -0.018 (0) + Fe(OH)2 1.298e-12 1.299e-12 -11.887 -11.886 0.000 (0) + FeSO4 1.141e-13 1.141e-13 -12.943 -12.943 0.000 18.97 + Fe(OH)3- 9.563e-15 9.167e-15 -14.019 -14.038 -0.018 (0) + Fe(HS)2 6.281e-17 6.283e-17 -16.202 -16.202 0.000 (0) + FeHSO4+ 4.120e-21 3.948e-21 -20.385 -20.404 -0.019 (0) + Fe(HS)3- 1.639e-23 1.571e-23 -22.785 -22.804 -0.019 (0) +Fe(3) 3.368e-14 Fe(OH)3 2.753e-14 2.754e-14 -13.560 -13.560 0.000 (0) - Fe(OH)4- 4.982e-15 4.777e-15 -14.303 -14.321 -0.018 (0) - Fe(OH)2+ 1.172e-15 1.124e-15 -14.931 -14.949 -0.018 (0) - FeOH+2 2.114e-20 1.785e-20 -19.675 -19.748 -0.073 (0) - Fe+3 2.091e-26 1.454e-26 -25.680 -25.837 -0.158 (0) - FeSO4+ 7.987e-30 7.656e-30 -29.098 -29.116 -0.018 (0) - Fe(SO4)2- 8.396e-36 8.045e-36 -35.076 -35.094 -0.019 (0) - FeHSO4+2 1.279e-37 1.078e-37 -36.893 -36.967 -0.074 (0) - Fe2(OH)2+4 1.700e-38 8.577e-39 -37.770 -38.067 -0.297 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -50.232 -50.696 -0.464 (0) -H(0) 3.007e-10 - H2 1.504e-10 1.504e-10 -9.823 -9.823 0.000 28.61 + Fe(OH)4- 4.976e-15 4.771e-15 -14.303 -14.321 -0.018 (0) + Fe(OH)2+ 1.174e-15 1.125e-15 -14.930 -14.949 -0.018 (0) + FeOH+2 2.119e-20 1.789e-20 -19.674 -19.747 -0.073 (0) + Fe+3 2.098e-26 1.459e-26 -25.678 -25.836 -0.158 (0) + FeSO4+ 8.005e-30 7.674e-30 -29.097 -29.115 -0.018 (0) + Fe(SO4)2- 8.405e-36 8.054e-36 -35.075 -35.094 -0.019 (0) + FeHSO4+2 1.284e-37 1.082e-37 -36.892 -36.966 -0.074 (0) + Fe2(OH)2+4 1.708e-38 8.618e-39 -37.768 -38.065 -0.297 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -50.229 -50.693 -0.464 (0) +H(0) 3.006e-10 + H2 1.503e-10 1.504e-10 -9.823 -9.823 0.000 28.61 O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -72.735 -72.735 0.000 30.40 -S(-2) 2.505e-09 - HS- 2.400e-09 2.299e-09 -8.620 -8.639 -0.019 20.61 + O2 0.000e+00 0.000e+00 -72.734 -72.734 0.000 30.40 +S(-2) 2.502e-09 + HS- 2.397e-09 2.296e-09 -8.620 -8.639 -0.019 20.61 H2S 1.056e-10 1.057e-10 -9.976 -9.976 0.000 36.27 - S-2 6.253e-14 5.280e-14 -13.204 -13.277 -0.073 (0) - Fe(HS)2 6.282e-17 6.285e-17 -16.202 -16.202 0.000 (0) - (H2S)2 5.883e-22 5.885e-22 -21.230 -21.230 0.000 30.09 - Fe(HS)3- 1.642e-23 1.573e-23 -22.785 -22.803 -0.019 (0) -S(6) 6.037e-08 - SO4-2 5.688e-08 4.803e-08 -7.245 -7.319 -0.073 15.83 - CaSO4 3.483e-09 3.484e-09 -8.458 -8.458 0.000 7.50 - FeSO4 1.139e-13 1.140e-13 -12.943 -12.943 0.000 18.97 - HSO4- 2.563e-14 2.455e-14 -13.591 -13.610 -0.019 40.28 - CaHSO4+ 1.257e-16 1.204e-16 -15.901 -15.919 -0.019 (0) - FeHSO4+ 4.111e-21 3.939e-21 -20.386 -20.405 -0.019 (0) - FeSO4+ 7.987e-30 7.656e-30 -29.098 -29.116 -0.018 (0) - Fe(SO4)2- 8.396e-36 8.045e-36 -35.076 -35.094 -0.019 (0) - FeHSO4+2 1.279e-37 1.078e-37 -36.893 -36.967 -0.074 (0) + S-2 6.237e-14 5.267e-14 -13.205 -13.278 -0.073 (0) + Fe(HS)2 6.281e-17 6.283e-17 -16.202 -16.202 0.000 (0) + (H2S)2 5.882e-22 5.884e-22 -21.230 -21.230 0.000 30.09 + Fe(HS)3- 1.639e-23 1.571e-23 -22.785 -22.804 -0.019 (0) +S(6) 6.030e-08 + SO4-2 5.681e-08 4.797e-08 -7.246 -7.319 -0.073 15.83 + CaSO4 3.487e-09 3.488e-09 -8.458 -8.457 0.000 7.50 + FeSO4 1.141e-13 1.141e-13 -12.943 -12.943 0.000 18.97 + HSO4- 2.562e-14 2.455e-14 -13.591 -13.610 -0.019 40.28 + CaHSO4+ 1.260e-16 1.207e-16 -15.900 -15.918 -0.019 (0) + FeHSO4+ 4.120e-21 3.948e-21 -20.385 -20.404 -0.019 (0) + FeSO4+ 8.005e-30 7.674e-30 -29.097 -29.115 -0.018 (0) + Fe(SO4)2- 8.405e-36 8.054e-36 -35.075 -35.094 -0.019 (0) + FeHSO4+2 1.284e-37 1.082e-37 -36.892 -36.966 -0.074 (0) ------------------------------Saturation indices------------------------------- @@ -259,7 +259,7 @@ S(6) 6.037e-08 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3 FeS(ppt) -4.32 -8.23 -3.92 FeS - Goethite 0.00 -1.00 -1.00 FeOOH + Goethite -0.00 -1.00 -1.00 FeOOH Gypsum -6.13 -10.71 -4.58 CaSO4:2H2O H2(g) -6.72 -9.82 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -268,7 +268,7 @@ S(6) 6.037e-08 Mackinawite -3.59 -8.23 -4.65 FeS Melanterite -12.98 -15.19 -2.21 FeSO4:7H2O O2(g) -69.84 -72.73 -2.89 O2 - Pyrite 0.00 -18.48 -18.48 FeS2 + Pyrite -0.00 -18.48 -18.48 FeS2 Siderite -2.08 -12.97 -10.89 FeCO3 Sulfur -8.19 -3.30 4.88 S @@ -302,130 +302,130 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.426e-04 -Calcite 0.00 -8.48 -8.48 1.000e+01 9.999e+00 -9.268e-04 -Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-04 +CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 1.452e-04 +Calcite 0.00 -8.48 -8.48 1.000e+01 9.999e+00 -9.242e-04 +Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-04 Gypsum -2.01 -6.60 -4.58 0.000e+00 0 0.000e+00 -Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04 +Pyrite -0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 7.842e-04 7.842e-04 - Ca 9.268e-04 9.268e-04 + C 7.789e-04 7.789e-04 + Ca 9.242e-04 9.242e-04 Cl 5.000e-04 5.000e-04 - Fe 9.968e-09 9.968e-09 + Fe 9.984e-09 9.984e-09 Na 5.000e-04 5.000e-04 S 5.333e-04 5.333e-04 ----------------------------Description of solution---------------------------- pH = 8.170 Charge balance - pe = -4.286 Adjusted to redox equilibrium + pe = -4.285 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 271 Density (g/cm³) = 0.99719 Volume (L) = 1.00298 Viscosity (mPa s) = 0.89164 Activity of water = 1.000 - Ionic strength (mol/kgw) = 3.604e-03 + Ionic strength (mol/kgw) = 3.605e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.870e-04 - Total CO2 (mol/kg) = 7.842e-04 + Total alkalinity (eq/kg) = 7.817e-04 + Total CO2 (mol/kg) = 7.789e-04 Temperature (°C) = 25.00 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110122e+02 - Total O = 5.551018e+01 + Total O = 5.551017e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.600e-06 1.498e-06 -5.796 -5.825 -0.029 -4.08 - H+ 7.175e-09 6.758e-09 -8.144 -8.170 -0.026 0.00 + OH- 1.598e-06 1.496e-06 -5.796 -5.825 -0.029 -4.08 + H+ 7.182e-09 6.764e-09 -8.144 -8.170 -0.026 0.00 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 -C(-4) 2.218e-12 - CH4 2.218e-12 2.220e-12 -11.654 -11.654 0.000 35.46 -C(4) 7.842e-04 - HCO3- 7.548e-04 7.082e-04 -3.122 -3.150 -0.028 24.61 +C(-4) 2.213e-12 + CH4 2.213e-12 2.215e-12 -11.655 -11.655 0.000 35.46 +C(4) 7.789e-04 + HCO3- 7.540e-04 7.075e-04 -3.123 -3.150 -0.028 24.61 CO2 1.075e-05 1.076e-05 -4.968 -4.968 0.000 34.43 - CaHCO3+ 6.484e-06 6.088e-06 -5.188 -5.216 -0.027 9.69 - CO3-2 6.342e-06 4.915e-06 -5.198 -5.308 -0.111 -3.82 + CO3-2 6.329e-06 4.905e-06 -5.199 -5.309 -0.111 -3.82 CaCO3 5.559e-06 5.563e-06 -5.255 -5.255 0.000 -14.60 - NaHCO3 2.867e-07 2.872e-07 -6.543 -6.542 0.001 31.73 - FeCO3 7.350e-10 7.356e-10 -9.134 -9.133 0.000 (0) - FeHCO3+ 4.717e-10 4.419e-10 -9.326 -9.355 -0.028 (0) + CaHCO3+ 1.962e-06 1.842e-06 -5.707 -5.735 -0.027 122.66 + NaHCO3 2.864e-07 2.869e-07 -6.543 -6.542 0.001 31.73 + FeCO3 7.348e-10 7.354e-10 -9.134 -9.133 0.000 (0) + FeHCO3+ 4.720e-10 4.422e-10 -9.326 -9.354 -0.028 (0) (CO2)2 2.124e-12 2.125e-12 -11.673 -11.673 0.000 68.87 -Ca 9.268e-04 - Ca+2 8.698e-04 6.738e-04 -3.061 -3.171 -0.111 -18.05 - CaSO4 4.494e-05 4.498e-05 -4.347 -4.347 0.000 7.50 - CaHCO3+ 6.484e-06 6.088e-06 -5.188 -5.216 -0.027 9.69 +Ca 9.242e-04 + Ca+2 8.716e-04 6.752e-04 -3.060 -3.171 -0.111 -18.05 + CaSO4 4.502e-05 4.506e-05 -4.347 -4.346 0.000 7.50 CaCO3 5.559e-06 5.563e-06 -5.255 -5.255 0.000 -14.60 - CaOH+ 1.766e-08 1.655e-08 -7.753 -7.781 -0.028 (0) - CaHSO4+ 2.132e-12 1.998e-12 -11.671 -11.699 -0.028 (0) + CaHCO3+ 1.962e-06 1.842e-06 -5.707 -5.735 -0.027 122.66 + CaOH+ 1.768e-08 1.656e-08 -7.753 -7.781 -0.028 (0) + CaHSO4+ 2.139e-12 2.003e-12 -11.670 -11.698 -0.028 (0) Cl 5.000e-04 Cl- 5.000e-04 4.682e-04 -3.301 -3.330 -0.029 18.10 - FeCl+ 4.305e-12 4.033e-12 -11.366 -11.394 -0.028 (0) - HCl 1.086e-12 1.090e-12 -11.964 -11.963 0.002 (0) - FeCl+2 5.641e-28 4.364e-28 -27.249 -27.360 -0.111 (0) - FeCl2+ 9.733e-31 9.128e-31 -30.012 -30.040 -0.028 (0) - FeCl3 4.270e-35 4.274e-35 -34.370 -34.369 0.000 (0) -Fe(2) 9.968e-09 - Fe+2 8.029e-09 6.240e-09 -8.095 -8.205 -0.110 -22.04 - FeCO3 7.350e-10 7.356e-10 -9.134 -9.133 0.000 (0) - FeHCO3+ 4.717e-10 4.419e-10 -9.326 -9.355 -0.028 (0) - FeSO4 4.161e-10 4.165e-10 -9.381 -9.380 0.000 18.97 - FeOH+ 3.113e-10 2.920e-10 -9.507 -9.535 -0.028 (0) - FeCl+ 4.305e-12 4.033e-12 -11.366 -11.394 -0.028 (0) - Fe(OH)2 3.674e-13 3.677e-13 -12.435 -12.434 0.000 (0) - Fe(OH)3- 2.156e-15 2.022e-15 -14.666 -14.694 -0.028 (0) - FeHSO4+ 1.975e-17 1.850e-17 -16.705 -16.733 -0.028 (0) - Fe(HS)2 5.031e-18 5.035e-18 -17.298 -17.298 0.000 (0) - Fe(HS)3- 5.569e-25 5.218e-25 -24.254 -24.283 -0.028 (0) + FeCl+ 4.312e-12 4.040e-12 -11.365 -11.394 -0.028 (0) + HCl 1.087e-12 1.091e-12 -11.964 -11.962 0.002 (0) + FeCl+2 5.659e-28 4.377e-28 -27.247 -27.359 -0.111 (0) + FeCl2+ 9.762e-31 9.155e-31 -30.010 -30.038 -0.028 (0) + FeCl3 4.283e-35 4.287e-35 -34.368 -34.368 0.000 (0) +Fe(2) 9.984e-09 + Fe+2 8.044e-09 6.251e-09 -8.095 -8.204 -0.110 -22.04 + FeCO3 7.348e-10 7.354e-10 -9.134 -9.133 0.000 (0) + FeHCO3+ 4.720e-10 4.422e-10 -9.326 -9.354 -0.028 (0) + FeSO4 4.168e-10 4.171e-10 -9.380 -9.380 0.000 18.97 + FeOH+ 3.116e-10 2.922e-10 -9.506 -9.534 -0.028 (0) + FeCl+ 4.312e-12 4.040e-12 -11.365 -11.394 -0.028 (0) + Fe(OH)2 3.673e-13 3.676e-13 -12.435 -12.435 0.000 (0) + Fe(OH)3- 2.153e-15 2.019e-15 -14.667 -14.695 -0.028 (0) + FeHSO4+ 1.980e-17 1.855e-17 -16.703 -16.732 -0.028 (0) + Fe(HS)2 5.029e-18 5.033e-18 -17.299 -17.298 0.000 (0) + Fe(HS)3- 5.560e-25 5.209e-25 -24.255 -24.283 -0.028 (0) Fe(3) 3.302e-14 Fe(OH)3 2.752e-14 2.754e-14 -13.560 -13.560 0.000 (0) - Fe(OH)4- 3.961e-15 3.717e-15 -14.402 -14.430 -0.028 (0) - Fe(OH)2+ 1.540e-15 1.445e-15 -14.813 -14.840 -0.028 (0) - FeOH+2 3.812e-20 2.949e-20 -19.419 -19.530 -0.111 (0) - FeSO4+ 1.354e-25 1.270e-25 -24.868 -24.896 -0.028 (0) - Fe+3 5.290e-26 3.086e-26 -25.277 -25.511 -0.234 (0) - Fe(SO4)2- 1.113e-27 1.043e-27 -26.953 -26.982 -0.028 (0) - FeCl+2 5.641e-28 4.364e-28 -27.249 -27.360 -0.111 (0) - FeCl2+ 9.733e-31 9.128e-31 -30.012 -30.040 -0.028 (0) - FeHSO4+2 2.984e-33 2.298e-33 -32.525 -32.639 -0.113 (0) - FeCl3 4.270e-35 4.274e-35 -34.370 -34.369 0.000 (0) - Fe2(OH)2+4 6.646e-38 2.340e-38 -37.177 -37.631 -0.453 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -49.443 -50.151 -0.708 (0) -H(0) 2.408e-11 - H2 1.204e-11 1.205e-11 -10.919 -10.919 0.000 28.61 + Fe(OH)4- 3.957e-15 3.713e-15 -14.403 -14.430 -0.028 (0) + Fe(OH)2+ 1.541e-15 1.446e-15 -14.812 -14.840 -0.028 (0) + FeOH+2 3.819e-20 2.955e-20 -19.418 -19.530 -0.111 (0) + FeSO4+ 1.358e-25 1.274e-25 -24.867 -24.895 -0.028 (0) + Fe+3 5.307e-26 3.096e-26 -25.275 -25.509 -0.234 (0) + Fe(SO4)2- 1.116e-27 1.046e-27 -26.952 -26.981 -0.028 (0) + FeCl+2 5.659e-28 4.377e-28 -27.247 -27.359 -0.111 (0) + FeCl2+ 9.762e-31 9.155e-31 -30.010 -30.038 -0.028 (0) + FeHSO4+2 2.995e-33 2.307e-33 -32.524 -32.637 -0.113 (0) + FeCl3 4.283e-35 4.287e-35 -34.368 -34.368 0.000 (0) + Fe2(OH)2+4 6.674e-38 2.350e-38 -37.176 -37.629 -0.453 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -49.440 -50.149 -0.708 (0) +H(0) 2.407e-11 + H2 1.204e-11 1.205e-11 -10.920 -10.919 0.000 28.61 Na 5.000e-04 Na+ 4.967e-04 4.656e-04 -3.304 -3.332 -0.028 -1.44 - NaSO4- 3.032e-06 2.845e-06 -5.518 -5.546 -0.028 -18.09 - NaHCO3 2.867e-07 2.872e-07 -6.543 -6.542 0.001 31.73 - NaOH 6.968e-20 6.974e-20 -19.157 -19.157 0.000 (0) + NaSO4- 3.031e-06 2.845e-06 -5.518 -5.546 -0.028 -18.09 + NaHCO3 2.864e-07 2.869e-07 -6.543 -6.542 0.001 31.73 + NaOH 6.961e-20 6.967e-20 -19.157 -19.157 0.000 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.542 -70.542 0.000 30.40 -S(-2) 1.073e-09 - HS- 1.016e-09 9.516e-10 -8.993 -9.022 -0.029 20.63 - H2S 5.618e-11 5.622e-11 -10.250 -10.250 0.000 36.27 - S-2 2.199e-14 1.701e-14 -13.658 -13.769 -0.111 (0) - Fe(HS)2 5.031e-18 5.035e-18 -17.298 -17.298 0.000 (0) - (H2S)2 1.664e-22 1.666e-22 -21.779 -21.778 0.000 30.09 - Fe(HS)3- 5.569e-25 5.218e-25 -24.254 -24.283 -0.028 (0) +S(-2) 1.071e-09 + HS- 1.015e-09 9.505e-10 -8.993 -9.022 -0.029 20.63 + H2S 5.617e-11 5.622e-11 -10.251 -10.250 0.000 36.27 + S-2 2.194e-14 1.697e-14 -13.659 -13.770 -0.111 (0) + Fe(HS)2 5.029e-18 5.033e-18 -17.299 -17.298 0.000 (0) + (H2S)2 1.664e-22 1.665e-22 -21.779 -21.779 0.000 30.09 + Fe(HS)3- 5.560e-25 5.209e-25 -24.255 -24.283 -0.028 (0) S(6) 5.333e-04 - SO4-2 4.854e-04 3.754e-04 -3.314 -3.426 -0.112 16.58 - CaSO4 4.494e-05 4.498e-05 -4.347 -4.347 0.000 7.50 - NaSO4- 3.032e-06 2.845e-06 -5.518 -5.546 -0.028 -18.09 - FeSO4 4.161e-10 4.165e-10 -9.381 -9.380 0.000 18.97 - HSO4- 2.632e-10 2.466e-10 -9.580 -9.608 -0.028 40.30 - CaHSO4+ 2.132e-12 1.998e-12 -11.671 -11.699 -0.028 (0) - FeHSO4+ 1.975e-17 1.850e-17 -16.705 -16.733 -0.028 (0) - FeSO4+ 1.354e-25 1.270e-25 -24.868 -24.896 -0.028 (0) - Fe(SO4)2- 1.113e-27 1.043e-27 -26.953 -26.982 -0.028 (0) - FeHSO4+2 2.984e-33 2.298e-33 -32.525 -32.639 -0.113 (0) + SO4-2 4.853e-04 3.753e-04 -3.314 -3.426 -0.112 16.58 + CaSO4 4.502e-05 4.506e-05 -4.347 -4.346 0.000 7.50 + NaSO4- 3.031e-06 2.845e-06 -5.518 -5.546 -0.028 -18.09 + FeSO4 4.168e-10 4.171e-10 -9.380 -9.380 0.000 18.97 + HSO4- 2.635e-10 2.468e-10 -9.579 -9.608 -0.028 40.30 + CaHSO4+ 2.139e-12 2.003e-12 -11.670 -11.698 -0.028 (0) + FeHSO4+ 1.980e-17 1.855e-17 -16.703 -16.732 -0.028 (0) + FeSO4+ 1.358e-25 1.274e-25 -24.867 -24.895 -0.028 (0) + Fe(SO4)2- 1.116e-27 1.046e-27 -26.952 -26.981 -0.028 (0) + FeHSO4+2 2.995e-33 2.307e-33 -32.524 -32.637 -0.113 (0) ------------------------------Saturation indices------------------------------- @@ -438,7 +438,7 @@ S(6) 5.333e-04 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3 FeS(ppt) -5.14 -9.06 -3.92 FeS - Goethite -0.00 -1.00 -1.00 FeOOH + Goethite 0.00 -1.00 -1.00 FeOOH Gypsum -2.01 -6.60 -4.58 CaSO4:2H2O H2(g) -7.82 -10.92 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -449,7 +449,7 @@ S(6) 5.333e-04 Melanterite -9.42 -11.63 -2.21 FeSO4:7H2O Mirabilite -8.85 -10.09 -1.24 Na2SO4:10H2O O2(g) -67.65 -70.54 -2.89 O2 - Pyrite 0.00 -18.48 -18.48 FeS2 + Pyrite -0.00 -18.48 -18.48 FeS2 Siderite -2.62 -13.51 -10.89 FeCO3 Sulfur -7.36 -2.48 4.88 S Thenardite -9.79 -10.09 -0.30 Na2SO4 @@ -484,20 +484,20 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.397e-03 -Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.936e-03 -Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03 -Gypsum -1.06 -5.64 -4.58 0.000e+00 0 0.000e+00 +CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.000e+01 2.401e-03 +Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.932e-03 +Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 1.333e-03 +Gypsum -1.05 -5.64 -4.58 0.000e+00 0 0.000e+00 Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 5.389e-04 5.389e-04 - Ca 2.936e-03 2.936e-03 + C 5.312e-04 5.312e-04 + Ca 2.932e-03 2.932e-03 Cl 2.500e-03 2.500e-03 - Fe 2.153e-08 2.153e-08 + Fe 2.155e-08 2.155e-08 Na 2.500e-03 2.500e-03 S 2.667e-03 2.667e-03 @@ -512,102 +512,102 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03 Activity of water = 1.000 Ionic strength (mol/kgw) = 1.219e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.379e-04 - Total CO2 (mol/kg) = 5.389e-04 + Total alkalinity (eq/kg) = 5.303e-04 + Total CO2 (mol/kg) = 5.312e-04 Temperature (°C) = 25.00 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 + Iterations = 26 Total H = 1.110111e+02 - Total O = 5.551756e+01 + Total O = 5.551754e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.082e-06 9.640e-07 -5.966 -6.016 -0.050 -4.02 + OH- 1.081e-06 9.635e-07 -5.966 -6.016 -0.050 -4.02 H+ 1.158e-08 1.050e-08 -7.936 -7.979 -0.042 0.00 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 -C(-4) 2.095e-13 - CH4 2.095e-13 2.101e-13 -12.679 -12.678 0.001 35.46 -C(4) 5.389e-04 - HCO3- 5.081e-04 4.558e-04 -3.294 -3.341 -0.047 24.66 +C(-4) 2.093e-13 + CH4 2.093e-13 2.099e-13 -12.679 -12.678 0.001 35.46 +C(4) 5.312e-04 + HCO3- 5.077e-04 4.556e-04 -3.294 -3.341 -0.047 24.66 CO2 1.074e-05 1.076e-05 -4.969 -4.968 0.001 34.43 - CaHCO3+ 1.052e-05 9.457e-06 -4.978 -5.024 -0.046 9.73 CaCO3 5.548e-06 5.563e-06 -5.256 -5.255 0.001 -14.60 - CO3-2 3.142e-06 2.037e-06 -5.503 -5.691 -0.188 -3.63 - NaHCO3 8.635e-07 8.683e-07 -6.064 -6.061 0.002 31.73 - FeHCO3+ 5.721e-10 5.113e-10 -9.243 -9.291 -0.049 (0) - FeCO3 5.464e-10 5.479e-10 -9.263 -9.261 0.001 (0) + CaHCO3+ 3.182e-06 2.861e-06 -5.497 -5.543 -0.046 122.70 + CO3-2 3.139e-06 2.034e-06 -5.503 -5.692 -0.188 -3.63 + NaHCO3 8.629e-07 8.678e-07 -6.064 -6.062 0.002 31.73 + FeHCO3+ 5.724e-10 5.115e-10 -9.242 -9.291 -0.049 (0) + FeCO3 5.463e-10 5.478e-10 -9.263 -9.261 0.001 (0) (CO2)2 2.119e-12 2.125e-12 -11.674 -11.673 0.001 68.87 -Ca 2.936e-03 - Ca+2 2.511e-03 1.626e-03 -2.600 -2.789 -0.189 -17.90 - CaSO4 4.088e-04 4.100e-04 -3.388 -3.387 0.001 7.50 - CaHCO3+ 1.052e-05 9.457e-06 -4.978 -5.024 -0.046 9.73 +Ca 2.932e-03 + Ca+2 2.514e-03 1.628e-03 -2.600 -2.788 -0.189 -17.90 + CaSO4 4.092e-04 4.104e-04 -3.388 -3.387 0.001 7.50 CaCO3 5.548e-06 5.563e-06 -5.256 -5.255 0.001 -14.60 - CaOH+ 2.876e-08 2.570e-08 -7.541 -7.590 -0.049 (0) - CaHSO4+ 3.165e-11 2.829e-11 -10.500 -10.548 -0.049 (0) + CaHCO3+ 3.182e-06 2.861e-06 -5.497 -5.543 -0.046 122.70 + CaOH+ 2.878e-08 2.572e-08 -7.541 -7.590 -0.049 (0) + CaHSO4+ 3.171e-11 2.833e-11 -10.499 -10.548 -0.049 (0) Cl 2.500e-03 Cl- 2.500e-03 2.230e-03 -2.602 -2.652 -0.050 18.15 - FeCl+ 3.864e-11 3.453e-11 -10.413 -10.462 -0.049 (0) - HCl 7.970e-12 8.066e-12 -11.099 -11.093 0.005 (0) - FeCl+2 1.209e-26 7.794e-27 -25.918 -26.108 -0.191 (0) - FeCl2+ 8.666e-29 7.765e-29 -28.062 -28.110 -0.048 (0) - FeCl3 1.727e-32 1.732e-32 -31.763 -31.761 0.001 (0) -Fe(2) 2.153e-08 - Fe+2 1.717e-08 1.122e-08 -7.765 -7.950 -0.185 -21.90 - FeSO4 2.820e-09 2.828e-09 -8.550 -8.549 0.001 18.97 - FeHCO3+ 5.721e-10 5.113e-10 -9.243 -9.291 -0.049 (0) - FeCO3 5.464e-10 5.479e-10 -9.263 -9.261 0.001 (0) - FeOH+ 3.770e-10 3.378e-10 -9.424 -9.471 -0.048 (0) - FeCl+ 3.864e-11 3.453e-11 -10.413 -10.462 -0.049 (0) - Fe(OH)2 2.731e-13 2.739e-13 -12.564 -12.562 0.001 (0) - Fe(OH)3- 1.082e-15 9.691e-16 -14.966 -15.014 -0.048 (0) - FeHSO4+ 2.183e-16 1.951e-16 -15.661 -15.710 -0.049 (0) - Fe(HS)2 2.785e-18 2.793e-18 -17.555 -17.554 0.001 (0) - Fe(HS)3- 1.799e-25 1.607e-25 -24.745 -24.794 -0.049 (0) + FeCl+ 3.868e-11 3.457e-11 -10.412 -10.461 -0.049 (0) + HCl 7.975e-12 8.070e-12 -11.098 -11.093 0.005 (0) + FeCl+2 1.211e-26 7.808e-27 -25.917 -26.107 -0.191 (0) + FeCl2+ 8.682e-29 7.779e-29 -28.061 -28.109 -0.048 (0) + FeCl3 1.730e-32 1.735e-32 -31.762 -31.761 0.001 (0) +Fe(2) 2.155e-08 + Fe+2 1.719e-08 1.123e-08 -7.765 -7.950 -0.185 -21.90 + FeSO4 2.822e-09 2.830e-09 -8.549 -8.548 0.001 18.97 + FeHCO3+ 5.724e-10 5.115e-10 -9.242 -9.291 -0.049 (0) + FeCO3 5.463e-10 5.478e-10 -9.263 -9.261 0.001 (0) + FeOH+ 3.772e-10 3.380e-10 -9.423 -9.471 -0.048 (0) + FeCl+ 3.868e-11 3.457e-11 -10.412 -10.461 -0.049 (0) + Fe(OH)2 2.730e-13 2.738e-13 -12.564 -12.563 0.001 (0) + Fe(OH)3- 1.081e-15 9.684e-16 -14.966 -15.014 -0.048 (0) + FeHSO4+ 2.186e-16 1.954e-16 -15.660 -15.709 -0.049 (0) + Fe(HS)2 2.784e-18 2.792e-18 -17.555 -17.554 0.001 (0) + Fe(HS)3- 1.797e-25 1.606e-25 -24.745 -24.794 -0.049 (0) Fe(3) 3.263e-14 Fe(OH)3 2.746e-14 2.754e-14 -13.561 -13.560 0.001 (0) - Fe(OH)4- 2.666e-15 2.392e-15 -14.574 -14.621 -0.047 (0) - Fe(OH)2+ 2.501e-15 2.244e-15 -14.602 -14.649 -0.047 (0) - FeOH+2 1.104e-19 7.116e-20 -18.957 -19.148 -0.191 (0) - FeSO4+ 2.007e-24 1.799e-24 -23.697 -23.745 -0.048 (0) - Fe+3 2.789e-25 1.157e-25 -24.555 -24.937 -0.382 (0) - Fe(SO4)2- 6.243e-26 5.579e-26 -25.205 -25.253 -0.049 (0) - FeCl+2 1.209e-26 7.794e-27 -25.918 -26.108 -0.191 (0) - FeCl2+ 8.666e-29 7.765e-29 -28.062 -28.110 -0.048 (0) - FeHSO4+2 7.929e-32 5.056e-32 -31.101 -31.296 -0.195 (0) - FeCl3 1.727e-32 1.732e-32 -31.763 -31.761 0.001 (0) - Fe2(OH)2+4 8.242e-37 1.363e-37 -36.084 -36.866 -0.782 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -47.973 -49.194 -1.221 (0) + Fe(OH)4- 2.664e-15 2.391e-15 -14.574 -14.621 -0.047 (0) + Fe(OH)2+ 2.503e-15 2.246e-15 -14.602 -14.649 -0.047 (0) + FeOH+2 1.105e-19 7.124e-20 -18.957 -19.147 -0.191 (0) + FeSO4+ 2.011e-24 1.802e-24 -23.697 -23.744 -0.048 (0) + Fe+3 2.794e-25 1.159e-25 -24.554 -24.936 -0.382 (0) + Fe(SO4)2- 6.252e-26 5.587e-26 -25.204 -25.253 -0.049 (0) + FeCl+2 1.211e-26 7.808e-27 -25.917 -26.107 -0.191 (0) + FeCl2+ 8.682e-29 7.779e-29 -28.061 -28.109 -0.048 (0) + FeHSO4+2 7.946e-32 5.067e-32 -31.100 -31.295 -0.195 (0) + FeCl3 1.730e-32 1.735e-32 -31.762 -31.761 0.001 (0) + Fe2(OH)2+4 8.262e-37 1.366e-37 -36.083 -36.865 -0.782 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -47.972 -49.193 -1.221 (0) H(0) 1.333e-11 - H2 6.665e-12 6.684e-12 -11.176 -11.175 0.001 28.61 + H2 6.663e-12 6.682e-12 -11.176 -11.175 0.001 28.61 Na 2.500e-03 Na+ 2.443e-03 2.187e-03 -2.612 -2.660 -0.048 -1.36 - NaSO4- 5.624e-05 5.047e-05 -4.250 -4.297 -0.047 -14.46 - NaHCO3 8.635e-07 8.683e-07 -6.064 -6.061 0.002 31.73 - NaOH 2.103e-19 2.108e-19 -18.677 -18.676 0.001 (0) + NaSO4- 5.622e-05 5.046e-05 -4.250 -4.297 -0.047 -14.46 + NaHCO3 8.629e-07 8.678e-07 -6.064 -6.062 0.002 31.73 + NaOH 2.101e-19 2.107e-19 -18.678 -18.676 0.001 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -70.031 -70.030 0.001 30.40 -S(-2) 6.414e-10 - HS- 5.930e-10 5.286e-10 -9.227 -9.277 -0.050 20.68 - H2S 4.838e-11 4.851e-11 -10.315 -10.314 0.001 36.27 - S-2 9.434e-15 6.082e-15 -14.025 -14.216 -0.191 (0) - Fe(HS)2 2.785e-18 2.793e-18 -17.555 -17.554 0.001 (0) +S(-2) 6.410e-10 + HS- 5.926e-10 5.282e-10 -9.227 -9.277 -0.050 20.68 + H2S 4.837e-11 4.851e-11 -10.315 -10.314 0.001 36.27 + S-2 9.422e-15 6.074e-15 -14.026 -14.217 -0.191 (0) + Fe(HS)2 2.784e-18 2.792e-18 -17.555 -17.554 0.001 (0) (H2S)2 1.237e-22 1.240e-22 -21.908 -21.907 0.001 30.09 - Fe(HS)3- 1.799e-25 1.607e-25 -24.745 -24.794 -0.049 (0) + Fe(HS)3- 1.797e-25 1.606e-25 -24.745 -24.794 -0.049 (0) S(6) 2.667e-03 - SO4-2 2.202e-03 1.418e-03 -2.657 -2.848 -0.191 18.23 - CaSO4 4.088e-04 4.100e-04 -3.388 -3.387 0.001 7.50 - NaSO4- 5.624e-05 5.047e-05 -4.250 -4.297 -0.047 -14.46 - FeSO4 2.820e-09 2.828e-09 -8.550 -8.549 0.001 18.97 - HSO4- 1.619e-09 1.447e-09 -8.791 -8.840 -0.049 40.35 - CaHSO4+ 3.165e-11 2.829e-11 -10.500 -10.548 -0.049 (0) - FeHSO4+ 2.183e-16 1.951e-16 -15.661 -15.710 -0.049 (0) - FeSO4+ 2.007e-24 1.799e-24 -23.697 -23.745 -0.048 (0) - Fe(SO4)2- 6.243e-26 5.579e-26 -25.205 -25.253 -0.049 (0) - FeHSO4+2 7.929e-32 5.056e-32 -31.101 -31.296 -0.195 (0) + SO4-2 2.201e-03 1.417e-03 -2.657 -2.848 -0.191 18.23 + CaSO4 4.092e-04 4.104e-04 -3.388 -3.387 0.001 7.50 + NaSO4- 5.622e-05 5.046e-05 -4.250 -4.297 -0.047 -14.46 + FeSO4 2.822e-09 2.830e-09 -8.549 -8.548 0.001 18.97 + HSO4- 1.620e-09 1.447e-09 -8.791 -8.839 -0.049 40.35 + CaHSO4+ 3.171e-11 2.833e-11 -10.499 -10.548 -0.049 (0) + FeHSO4+ 2.186e-16 1.954e-16 -15.660 -15.709 -0.049 (0) + FeSO4+ 2.011e-24 1.802e-24 -23.697 -23.744 -0.048 (0) + Fe(SO4)2- 6.252e-26 5.587e-26 -25.204 -25.253 -0.049 (0) + FeHSO4+2 7.946e-32 5.067e-32 -31.100 -31.295 -0.195 (0) ------------------------------Saturation indices------------------------------- @@ -620,9 +620,9 @@ S(6) 2.667e-03 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3 FeS(ppt) -5.33 -9.25 -3.92 FeS - Goethite 0.00 -1.00 -1.00 FeOOH - Gypsum -1.06 -5.64 -4.58 CaSO4:2H2O - H2(g) -8.07 -11.17 -3.10 H2 + Goethite -0.00 -1.00 -1.00 FeOOH + Gypsum -1.05 -5.64 -4.58 CaSO4:2H2O + H2(g) -8.07 -11.18 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O H2S(g) -9.32 -17.26 -7.94 H2S Halite -6.88 -5.31 1.57 NaCl @@ -666,9 +666,9 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.001e+01 5.107e-03 -Calcite 0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.557e-03 -Goethite 0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-03 +CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.001e+01 5.112e-03 +Calcite 0.00 -8.48 -8.48 1.000e+01 9.994e+00 -5.552e-03 +Goethite -0.00 -1.00 -1.00 1.000e+01 1.000e+01 2.667e-03 Gypsum -0.64 -5.22 -4.58 0.000e+00 0 0.000e+00 Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03 @@ -676,10 +676,10 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03 Elements Molality Moles - C 4.499e-04 4.499e-04 - Ca 5.557e-03 5.557e-03 + C 4.402e-04 4.402e-04 + Ca 5.553e-03 5.552e-03 Cl 5.000e-03 5.000e-03 - Fe 3.497e-08 3.497e-08 + Fe 3.499e-08 3.499e-08 Na 5.000e-03 5.000e-03 S 5.333e-03 5.333e-03 @@ -694,102 +694,102 @@ Pyrite -0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03 Activity of water = 1.000 Ionic strength (mol/kgw) = 2.237e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 4.479e-04 - Total CO2 (mol/kg) = 4.499e-04 + Total alkalinity (eq/kg) = 4.382e-04 + Total CO2 (mol/kg) = 4.402e-04 Temperature (°C) = 25.00 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 + Iterations = 25 Total H = 1.110098e+02 - Total O = 5.552734e+01 + Total O = 5.552732e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 8.906e-07 7.666e-07 -6.050 -6.115 -0.065 -3.97 - H+ 1.491e-08 1.320e-08 -7.827 -7.879 -0.053 0.00 + OH- 8.902e-07 7.663e-07 -6.051 -6.116 -0.065 -3.97 + H+ 1.491e-08 1.320e-08 -7.826 -7.879 -0.053 0.00 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07 -C(-4) 7.563e-14 - CH4 7.563e-14 7.602e-14 -13.121 -13.119 0.002 35.46 -C(4) 4.499e-04 - HCO3- 4.165e-04 3.625e-04 -3.380 -3.441 -0.060 24.70 - CaHCO3+ 1.362e-05 1.189e-05 -4.866 -4.925 -0.059 9.76 +C(-4) 7.558e-14 + CH4 7.558e-14 7.597e-14 -13.122 -13.119 0.002 35.46 +C(4) 4.402e-04 + HCO3- 4.163e-04 3.623e-04 -3.381 -3.441 -0.060 24.70 CO2 1.072e-05 1.076e-05 -4.970 -4.968 0.001 34.43 CaCO3 5.535e-06 5.563e-06 -5.257 -5.255 0.002 -14.60 - CO3-2 2.244e-06 1.288e-06 -5.649 -5.890 -0.241 -3.47 - NaHCO3 1.306e-06 1.319e-06 -5.884 -5.880 0.004 31.73 - FeHCO3+ 6.545e-10 5.662e-10 -9.184 -9.247 -0.063 (0) - FeCO3 4.801e-10 4.826e-10 -9.319 -9.316 0.002 (0) + CaHCO3+ 4.119e-06 3.596e-06 -5.385 -5.444 -0.059 122.72 + CO3-2 2.242e-06 1.287e-06 -5.649 -5.890 -0.241 -3.47 + NaHCO3 1.305e-06 1.319e-06 -5.884 -5.880 0.004 31.73 + FeHCO3+ 6.547e-10 5.664e-10 -9.184 -9.247 -0.063 (0) + FeCO3 4.801e-10 4.825e-10 -9.319 -9.316 0.002 (0) (CO2)2 2.114e-12 2.125e-12 -11.675 -11.673 0.002 68.87 -Ca 5.557e-03 - Ca+2 4.481e-03 2.571e-03 -2.349 -2.590 -0.241 -17.79 - CaSO4 1.057e-03 1.063e-03 -2.976 -2.974 0.002 7.50 - CaHCO3+ 1.362e-05 1.189e-05 -4.866 -4.925 -0.059 9.76 +Ca 5.553e-03 + Ca+2 4.485e-03 2.573e-03 -2.348 -2.590 -0.241 -17.79 + CaSO4 1.058e-03 1.064e-03 -2.975 -2.973 0.002 7.50 CaCO3 5.535e-06 5.563e-06 -5.257 -5.255 0.002 -14.60 - CaOH+ 3.736e-08 3.232e-08 -7.428 -7.491 -0.063 (0) - CaHSO4+ 1.066e-10 9.220e-11 -9.972 -10.035 -0.063 (0) + CaHCO3+ 4.119e-06 3.596e-06 -5.385 -5.444 -0.059 122.72 + CaOH+ 3.737e-08 3.233e-08 -7.427 -7.490 -0.063 (0) + CaHSO4+ 1.067e-10 9.230e-11 -9.972 -10.035 -0.063 (0) Cl 5.000e-03 Cl- 5.000e-03 4.311e-03 -2.301 -2.365 -0.064 18.18 - FeCl+ 1.074e-10 9.295e-11 -9.969 -10.032 -0.063 (0) - HCl 1.918e-11 1.960e-11 -10.717 -10.708 0.010 (0) - FeCl+2 5.265e-26 2.995e-26 -25.279 -25.524 -0.245 (0) - FeCl2+ 6.642e-28 5.769e-28 -27.178 -27.239 -0.061 (0) - FeCl3 2.474e-31 2.487e-31 -30.607 -30.604 0.002 (0) -Fe(2) 3.497e-08 - Fe+2 2.687e-08 1.562e-08 -7.571 -7.806 -0.236 -21.80 - FeSO4 6.423e-09 6.456e-09 -8.192 -8.190 0.002 18.97 - FeHCO3+ 6.545e-10 5.662e-10 -9.184 -9.247 -0.063 (0) - FeCO3 4.801e-10 4.826e-10 -9.319 -9.316 0.002 (0) - FeOH+ 4.307e-10 3.741e-10 -9.366 -9.427 -0.061 (0) - FeCl+ 1.074e-10 9.295e-11 -9.969 -10.032 -0.063 (0) - Fe(OH)2 2.399e-13 2.412e-13 -12.620 -12.618 0.002 (0) - Fe(OH)3- 7.814e-16 6.787e-16 -15.107 -15.168 -0.061 (0) - FeHSO4+ 6.475e-16 5.601e-16 -15.189 -15.252 -0.063 (0) - Fe(HS)2 2.155e-18 2.166e-18 -17.667 -17.664 0.002 (0) - Fe(HS)3- 1.075e-25 9.303e-26 -24.968 -25.031 -0.063 (0) + FeCl+ 1.075e-10 9.302e-11 -9.968 -10.031 -0.063 (0) + HCl 1.919e-11 1.961e-11 -10.717 -10.708 0.010 (0) + FeCl+2 5.272e-26 2.999e-26 -25.278 -25.523 -0.245 (0) + FeCl2+ 6.651e-28 5.776e-28 -27.177 -27.238 -0.061 (0) + FeCl3 2.478e-31 2.490e-31 -30.606 -30.604 0.002 (0) +Fe(2) 3.499e-08 + Fe+2 2.689e-08 1.563e-08 -7.570 -7.806 -0.236 -21.80 + FeSO4 6.427e-09 6.460e-09 -8.192 -8.190 0.002 18.97 + FeHCO3+ 6.547e-10 5.664e-10 -9.184 -9.247 -0.063 (0) + FeCO3 4.801e-10 4.825e-10 -9.319 -9.316 0.002 (0) + FeOH+ 4.309e-10 3.742e-10 -9.366 -9.427 -0.061 (0) + FeCl+ 1.075e-10 9.302e-11 -9.968 -10.031 -0.063 (0) + Fe(OH)2 2.399e-13 2.411e-13 -12.620 -12.618 0.002 (0) + Fe(OH)3- 7.810e-16 6.783e-16 -15.107 -15.169 -0.061 (0) + FeHSO4+ 6.481e-16 5.607e-16 -15.188 -15.251 -0.063 (0) + Fe(HS)2 2.154e-18 2.165e-18 -17.667 -17.664 0.002 (0) + Fe(HS)3- 1.075e-25 9.297e-26 -24.969 -25.032 -0.063 (0) Fe(3) 3.282e-14 Fe(OH)3 2.739e-14 2.753e-14 -13.562 -13.560 0.002 (0) - Fe(OH)2+ 3.242e-15 2.822e-15 -14.489 -14.549 -0.060 (0) - Fe(OH)4- 2.185e-15 1.902e-15 -14.661 -14.721 -0.060 (0) - FeOH+2 1.978e-19 1.125e-19 -18.704 -18.949 -0.245 (0) - FeSO4+ 6.752e-24 5.864e-24 -23.171 -23.232 -0.061 (0) - Fe+3 6.885e-25 2.301e-25 -24.162 -24.638 -0.476 (0) - Fe(SO4)2- 3.447e-25 2.982e-25 -24.463 -24.525 -0.063 (0) - FeCl+2 5.265e-26 2.995e-26 -25.279 -25.524 -0.245 (0) - FeCl2+ 6.642e-28 5.769e-28 -27.178 -27.239 -0.061 (0) - FeHSO4+2 3.700e-31 2.072e-31 -30.432 -30.684 -0.252 (0) - FeCl3 2.474e-31 2.487e-31 -30.607 -30.604 0.002 (0) - Fe2(OH)2+4 3.462e-36 3.407e-37 -35.461 -36.468 -1.007 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -47.124 -48.697 -1.573 (0) + Fe(OH)2+ 3.243e-15 2.823e-15 -14.489 -14.549 -0.060 (0) + Fe(OH)4- 2.184e-15 1.901e-15 -14.661 -14.721 -0.060 (0) + FeOH+2 1.979e-19 1.126e-19 -18.703 -18.948 -0.245 (0) + FeSO4+ 6.759e-24 5.870e-24 -23.170 -23.231 -0.061 (0) + Fe+3 6.894e-25 2.304e-25 -24.162 -24.638 -0.476 (0) + Fe(SO4)2- 3.451e-25 2.985e-25 -24.462 -24.525 -0.063 (0) + FeCl+2 5.272e-26 2.999e-26 -25.278 -25.523 -0.245 (0) + FeCl2+ 6.651e-28 5.776e-28 -27.177 -27.238 -0.061 (0) + FeHSO4+2 3.706e-31 2.076e-31 -30.431 -30.683 -0.252 (0) + FeCl3 2.478e-31 2.490e-31 -30.606 -30.604 0.002 (0) + Fe2(OH)2+4 3.468e-36 3.413e-37 -35.460 -36.467 -1.007 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -47.123 -48.696 -1.573 (0) H(0) 1.031e-11 - H2 5.157e-12 5.184e-12 -11.288 -11.285 0.002 28.61 + H2 5.156e-12 5.183e-12 -11.288 -11.285 0.002 28.61 Na 5.000e-03 Na+ 4.817e-03 4.179e-03 -2.317 -2.379 -0.062 -1.31 NaSO4- 1.816e-04 1.581e-04 -3.741 -3.801 -0.060 -12.22 - NaHCO3 1.306e-06 1.319e-06 -5.884 -5.880 0.004 31.73 - NaOH 3.187e-19 3.204e-19 -18.497 -18.494 0.002 (0) + NaHCO3 1.305e-06 1.319e-06 -5.884 -5.880 0.004 31.73 + NaOH 3.186e-19 3.202e-19 -18.497 -18.495 0.002 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -69.812 -69.810 0.002 30.40 -S(-2) 5.035e-10 - HS- 4.582e-10 3.945e-10 -9.339 -9.404 -0.065 20.71 + O2 0.000e+00 0.000e+00 -69.812 -69.809 0.002 30.40 +S(-2) 5.033e-10 + HS- 4.580e-10 3.943e-10 -9.339 -9.404 -0.065 20.71 H2S 4.528e-11 4.552e-11 -10.344 -10.342 0.002 36.27 - S-2 6.345e-15 3.610e-15 -14.198 -14.443 -0.245 (0) - Fe(HS)2 2.155e-18 2.166e-18 -17.667 -17.664 0.002 (0) + S-2 6.339e-15 3.607e-15 -14.198 -14.443 -0.245 (0) + Fe(HS)2 2.154e-18 2.165e-18 -17.667 -17.664 0.002 (0) (H2S)2 1.086e-22 1.092e-22 -21.964 -21.962 0.002 30.09 - Fe(HS)3- 1.075e-25 9.303e-26 -24.968 -25.031 -0.063 (0) + Fe(HS)3- 1.075e-25 9.297e-26 -24.969 -25.032 -0.063 (0) S(6) 5.333e-03 - SO4-2 4.095e-03 2.325e-03 -2.388 -2.634 -0.246 19.46 - CaSO4 1.057e-03 1.063e-03 -2.976 -2.974 0.002 7.50 + SO4-2 4.094e-03 2.324e-03 -2.388 -2.634 -0.246 19.46 + CaSO4 1.058e-03 1.064e-03 -2.975 -2.973 0.002 7.50 NaSO4- 1.816e-04 1.581e-04 -3.741 -3.801 -0.060 -12.22 - FeSO4 6.423e-09 6.456e-09 -8.192 -8.190 0.002 18.97 - HSO4- 3.448e-09 2.983e-09 -8.462 -8.525 -0.063 40.39 - CaHSO4+ 1.066e-10 9.220e-11 -9.972 -10.035 -0.063 (0) - FeHSO4+ 6.475e-16 5.601e-16 -15.189 -15.252 -0.063 (0) - FeSO4+ 6.752e-24 5.864e-24 -23.171 -23.232 -0.061 (0) - Fe(SO4)2- 3.447e-25 2.982e-25 -24.463 -24.525 -0.063 (0) - FeHSO4+2 3.700e-31 2.072e-31 -30.432 -30.684 -0.252 (0) + FeSO4 6.427e-09 6.460e-09 -8.192 -8.190 0.002 18.97 + HSO4- 3.449e-09 2.984e-09 -8.462 -8.525 -0.063 40.39 + CaHSO4+ 1.067e-10 9.230e-11 -9.972 -10.035 -0.063 (0) + FeHSO4+ 6.481e-16 5.607e-16 -15.188 -15.251 -0.063 (0) + FeSO4+ 6.759e-24 5.870e-24 -23.170 -23.231 -0.061 (0) + Fe(SO4)2- 3.451e-25 2.985e-25 -24.462 -24.525 -0.063 (0) + FeHSO4+2 3.706e-31 2.076e-31 -30.431 -30.683 -0.252 (0) ------------------------------Saturation indices------------------------------- @@ -802,7 +802,7 @@ S(6) 5.333e-03 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3 FeS(ppt) -5.42 -9.33 -3.92 FeS - Goethite 0.00 -1.00 -1.00 FeOOH + Goethite -0.00 -1.00 -1.00 FeOOH Gypsum -0.64 -5.22 -4.58 CaSO4:2H2O H2(g) -8.18 -11.29 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -848,9 +848,9 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.002e+01 1.582e-02 +CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.002e+01 1.583e-02 Calcite 0.00 -8.48 -8.48 1.000e+01 9.984e+00 -1.617e-02 -Goethite 0.00 -1.00 -1.00 1.000e+01 1.001e+01 8.000e-03 +Goethite -0.00 -1.00 -1.00 1.000e+01 1.001e+01 8.000e-03 Gypsum -0.03 -4.61 -4.58 0.000e+00 0 0.000e+00 Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03 @@ -858,10 +858,10 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03 Elements Molality Moles - C 3.486e-04 3.486e-04 + C 3.341e-04 3.340e-04 Ca 1.617e-02 1.617e-02 Cl 1.500e-02 1.500e-02 - Fe 8.225e-08 8.224e-08 + Fe 8.228e-08 8.227e-08 Na 1.500e-02 1.500e-02 S 1.600e-02 1.600e-02 @@ -876,102 +876,102 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.992e+00 -8.000e-03 Activity of water = 0.999 Ionic strength (mol/kgw) = 6.003e-02 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 3.455e-04 - Total CO2 (mol/kg) = 3.486e-04 + Total alkalinity (eq/kg) = 3.310e-04 + Total CO2 (mol/kg) = 3.341e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.217e-09 + Electrical balance (eq) = -1.211e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 26 + Iterations = 25 Total H = 1.110044e+02 - Total O = 5.556709e+01 + Total O = 5.556705e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 6.669e-07 5.328e-07 -6.176 -6.273 -0.097 -3.84 - H+ 2.242e-08 1.898e-08 -7.649 -7.722 -0.072 0.00 + OH- 6.668e-07 5.327e-07 -6.176 -6.274 -0.097 -3.84 + H+ 2.243e-08 1.898e-08 -7.649 -7.722 -0.072 0.00 H2O 5.551e+01 9.990e-01 1.744 -0.000 0.000 18.07 -C(-4) 1.647e-14 - CH4 1.647e-14 1.670e-14 -13.783 -13.777 0.006 35.46 -C(4) 3.486e-04 - HCO3- 3.079e-04 2.519e-04 -3.512 -3.599 -0.087 24.82 - CaHCO3+ 2.076e-05 1.710e-05 -4.683 -4.767 -0.084 9.80 +C(-4) 1.646e-14 + CH4 1.646e-14 1.669e-14 -13.784 -13.778 0.006 35.46 +C(4) 3.341e-04 + HCO3- 3.078e-04 2.519e-04 -3.512 -3.599 -0.087 24.82 CO2 1.066e-05 1.076e-05 -4.972 -4.968 0.004 34.43 + CaHCO3+ 6.277e-06 5.170e-06 -5.202 -5.286 -0.084 122.77 CaCO3 5.487e-06 5.563e-06 -5.261 -5.255 0.006 -14.60 - NaHCO3 2.425e-06 2.493e-06 -5.615 -5.603 0.012 31.73 - CO3-2 1.389e-06 6.226e-07 -5.857 -6.206 -0.348 -3.08 - FeHCO3+ 8.313e-10 6.739e-10 -9.080 -9.171 -0.091 (0) + NaHCO3 2.424e-06 2.492e-06 -5.615 -5.603 0.012 31.73 + CO3-2 1.388e-06 6.223e-07 -5.858 -6.206 -0.348 -3.08 + FeHCO3+ 8.315e-10 6.740e-10 -9.080 -9.171 -0.091 (0) FeCO3 3.940e-10 3.995e-10 -9.405 -9.399 0.006 (0) (CO2)2 2.096e-12 2.125e-12 -11.679 -11.673 0.006 68.87 Ca 1.617e-02 - Ca+2 1.181e-02 5.319e-03 -1.928 -2.274 -0.347 -17.57 - CaSO4 4.335e-03 4.396e-03 -2.363 -2.357 0.006 7.50 - CaHCO3+ 2.076e-05 1.710e-05 -4.683 -4.767 -0.084 9.80 + Ca+2 1.182e-02 5.322e-03 -1.927 -2.274 -0.347 -17.57 + CaSO4 4.337e-03 4.397e-03 -2.363 -2.357 0.006 7.50 + CaHCO3+ 6.277e-06 5.170e-06 -5.202 -5.286 -0.084 122.77 CaCO3 5.487e-06 5.563e-06 -5.261 -5.255 0.006 -14.60 - CaOH+ 5.733e-08 4.647e-08 -7.242 -7.333 -0.091 (0) - CaHSO4+ 6.764e-10 5.483e-10 -9.170 -9.261 -0.091 (0) + CaOH+ 5.734e-08 4.648e-08 -7.242 -7.333 -0.091 (0) + CaHSO4+ 6.768e-10 5.486e-10 -9.170 -9.261 -0.091 (0) Cl 1.500e-02 Cl- 1.500e-02 1.203e-02 -1.824 -1.920 -0.096 18.27 - FeCl+ 5.482e-10 4.444e-10 -9.261 -9.352 -0.091 (0) - HCl 7.418e-11 7.868e-11 -10.130 -10.104 0.026 (0) - FeCl+2 5.655e-25 2.489e-25 -24.248 -24.604 -0.356 (0) - FeCl2+ 1.643e-26 1.338e-26 -25.784 -25.874 -0.089 (0) - FeCl3 1.588e-29 1.610e-29 -28.799 -28.793 0.006 (0) -Fe(2) 8.225e-08 - Fe+2 5.812e-08 2.675e-08 -7.236 -7.573 -0.337 -21.59 - FeSO4 2.180e-08 2.210e-08 -7.662 -7.656 0.006 18.97 - FeHCO3+ 8.313e-10 6.739e-10 -9.080 -9.171 -0.091 (0) - FeCl+ 5.482e-10 4.444e-10 -9.261 -9.352 -0.091 (0) - FeOH+ 5.467e-10 4.453e-10 -9.262 -9.351 -0.089 (0) + FeCl+ 5.484e-10 4.446e-10 -9.261 -9.352 -0.091 (0) + HCl 7.420e-11 7.870e-11 -10.130 -10.104 0.026 (0) + FeCl+2 5.659e-25 2.491e-25 -24.247 -24.604 -0.356 (0) + FeCl2+ 1.644e-26 1.339e-26 -25.784 -25.873 -0.089 (0) + FeCl3 1.589e-29 1.611e-29 -28.799 -28.793 0.006 (0) +Fe(2) 8.228e-08 + Fe+2 5.815e-08 2.676e-08 -7.235 -7.573 -0.337 -21.59 + FeSO4 2.181e-08 2.211e-08 -7.661 -7.655 0.006 18.97 + FeHCO3+ 8.315e-10 6.740e-10 -9.080 -9.171 -0.091 (0) + FeCl+ 5.484e-10 4.446e-10 -9.261 -9.352 -0.091 (0) + FeOH+ 5.468e-10 4.454e-10 -9.262 -9.351 -0.089 (0) FeCO3 3.940e-10 3.995e-10 -9.405 -9.399 0.006 (0) Fe(OH)2 1.968e-13 1.995e-13 -12.706 -12.700 0.006 (0) - FeHSO4+ 3.402e-15 2.757e-15 -14.468 -14.559 -0.091 (0) - Fe(OH)3- 4.791e-16 3.902e-16 -15.320 -15.409 -0.089 (0) + FeHSO4+ 3.403e-15 2.759e-15 -14.468 -14.559 -0.091 (0) + Fe(OH)3- 4.789e-16 3.901e-16 -15.320 -15.409 -0.089 (0) Fe(HS)2 1.462e-18 1.482e-18 -17.835 -17.829 0.006 (0) - Fe(HS)3- 4.965e-26 4.025e-26 -25.304 -25.395 -0.091 (0) + Fe(HS)3- 4.963e-26 4.023e-26 -25.304 -25.395 -0.091 (0) Fe(3) 3.371e-14 Fe(OH)3 2.714e-14 2.752e-14 -13.566 -13.560 0.006 (0) - Fe(OH)2+ 4.958e-15 4.057e-15 -14.305 -14.392 -0.087 (0) + Fe(OH)2+ 4.960e-15 4.058e-15 -14.305 -14.392 -0.087 (0) Fe(OH)4- 1.614e-15 1.321e-15 -14.792 -14.879 -0.087 (0) - FeOH+2 5.288e-19 2.328e-19 -18.277 -18.633 -0.356 (0) - FeSO4+ 4.284e-23 3.489e-23 -22.368 -22.457 -0.089 (0) - Fe(SO4)2- 4.377e-24 3.548e-24 -23.359 -23.450 -0.091 (0) - Fe+3 3.075e-24 6.848e-25 -23.512 -24.164 -0.652 (0) - FeCl+2 5.655e-25 2.489e-25 -24.248 -24.604 -0.356 (0) - FeCl2+ 1.643e-26 1.338e-26 -25.784 -25.874 -0.089 (0) - FeCl3 1.588e-29 1.610e-29 -28.799 -28.793 0.006 (0) - FeHSO4+2 4.107e-30 1.773e-30 -29.386 -29.751 -0.365 (0) - Fe2(OH)2+4 4.195e-35 1.458e-36 -34.377 -35.836 -1.459 (0) - Fe3(OH)4+5 0.000e+00 0.000e+00 -45.628 -47.908 -2.280 (0) -H(0) 6.998e-12 - H2 3.499e-12 3.548e-12 -11.456 -11.450 0.006 28.61 + FeOH+2 5.291e-19 2.329e-19 -18.276 -18.633 -0.356 (0) + FeSO4+ 4.287e-23 3.492e-23 -22.368 -22.457 -0.089 (0) + Fe(SO4)2- 4.378e-24 3.549e-24 -23.359 -23.450 -0.091 (0) + Fe+3 3.077e-24 6.853e-25 -23.512 -24.164 -0.652 (0) + FeCl+2 5.659e-25 2.491e-25 -24.247 -24.604 -0.356 (0) + FeCl2+ 1.644e-26 1.339e-26 -25.784 -25.873 -0.089 (0) + FeCl3 1.589e-29 1.611e-29 -28.799 -28.793 0.006 (0) + FeHSO4+2 4.110e-30 1.775e-30 -29.386 -29.751 -0.365 (0) + Fe2(OH)2+4 4.199e-35 1.460e-36 -34.377 -35.836 -1.459 (0) + Fe3(OH)4+5 0.000e+00 0.000e+00 -45.628 -47.907 -2.280 (0) +H(0) 6.997e-12 + H2 3.499e-12 3.547e-12 -11.456 -11.450 0.006 28.61 Na 1.500e-02 Na+ 1.395e-02 1.136e-02 -1.855 -1.945 -0.089 -1.18 - NaSO4- 1.049e-03 8.594e-04 -2.979 -3.066 -0.087 -7.84 - NaHCO3 2.425e-06 2.493e-06 -5.615 -5.603 0.012 31.73 - NaOH 5.970e-19 6.053e-19 -18.224 -18.218 0.006 (0) + NaSO4- 1.049e-03 8.593e-04 -2.979 -3.066 -0.087 -7.84 + NaHCO3 2.424e-06 2.492e-06 -5.615 -5.603 0.012 31.73 + NaOH 5.969e-19 6.052e-19 -18.224 -18.218 0.006 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.487 -69.481 0.006 30.40 -S(-2) 3.529e-10 - HS- 3.121e-10 2.494e-10 -9.506 -9.603 -0.097 20.80 - H2S 4.081e-11 4.138e-11 -10.389 -10.383 0.006 36.27 - S-2 3.606e-15 1.587e-15 -14.443 -14.799 -0.356 (0) +S(-2) 3.528e-10 + HS- 3.120e-10 2.493e-10 -9.506 -9.603 -0.097 20.80 + H2S 4.081e-11 4.137e-11 -10.389 -10.383 0.006 36.27 + S-2 3.604e-15 1.586e-15 -14.443 -14.800 -0.356 (0) Fe(HS)2 1.462e-18 1.482e-18 -17.835 -17.829 0.006 (0) - (H2S)2 8.897e-23 9.021e-23 -22.051 -22.045 0.006 30.09 - Fe(HS)3- 4.965e-26 4.025e-26 -25.304 -25.395 -0.091 (0) + (H2S)2 8.897e-23 9.020e-23 -22.051 -22.045 0.006 30.09 + Fe(HS)3- 4.963e-26 4.023e-26 -25.304 -25.395 -0.091 (0) S(6) 1.600e-02 SO4-2 1.062e-02 4.647e-03 -1.974 -2.333 -0.359 22.36 - CaSO4 4.335e-03 4.396e-03 -2.363 -2.357 0.006 7.50 - NaSO4- 1.049e-03 8.594e-04 -2.979 -3.066 -0.087 -7.84 - FeSO4 2.180e-08 2.210e-08 -7.662 -7.656 0.006 18.97 - HSO4- 1.058e-08 8.574e-09 -7.976 -8.067 -0.091 40.47 - CaHSO4+ 6.764e-10 5.483e-10 -9.170 -9.261 -0.091 (0) - FeHSO4+ 3.402e-15 2.757e-15 -14.468 -14.559 -0.091 (0) - FeSO4+ 4.284e-23 3.489e-23 -22.368 -22.457 -0.089 (0) - Fe(SO4)2- 4.377e-24 3.548e-24 -23.359 -23.450 -0.091 (0) - FeHSO4+2 4.107e-30 1.773e-30 -29.386 -29.751 -0.365 (0) + CaSO4 4.337e-03 4.397e-03 -2.363 -2.357 0.006 7.50 + NaSO4- 1.049e-03 8.593e-04 -2.979 -3.066 -0.087 -7.84 + FeSO4 2.181e-08 2.211e-08 -7.661 -7.655 0.006 18.97 + HSO4- 1.058e-08 8.575e-09 -7.976 -8.067 -0.091 40.47 + CaHSO4+ 6.768e-10 5.486e-10 -9.170 -9.261 -0.091 (0) + FeHSO4+ 3.403e-15 2.759e-15 -14.468 -14.559 -0.091 (0) + FeSO4+ 4.287e-23 3.492e-23 -22.368 -22.457 -0.089 (0) + Fe(SO4)2- 4.378e-24 3.549e-24 -23.359 -23.450 -0.091 (0) + FeHSO4+2 4.110e-30 1.775e-30 -29.386 -29.751 -0.365 (0) ------------------------------Saturation indices------------------------------- @@ -984,7 +984,7 @@ S(6) 1.600e-02 CO2(g) -3.50 -4.97 -1.47 CO2 Pressure 0.0 atm, phi 1.000 Fe(OH)3(a) -5.89 -1.00 4.89 Fe(OH)3 FeS(ppt) -5.54 -9.45 -3.92 FeS - Goethite 0.00 -1.00 -1.00 FeOOH + Goethite -0.00 -1.00 -1.00 FeOOH Gypsum -0.03 -4.61 -4.58 CaSO4:2H2O H2(g) -8.35 -11.45 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O @@ -1030,130 +1030,130 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.003e+01 2.649e-02 -Calcite 0.00 -8.48 -8.48 1.000e+01 9.973e+00 -2.684e-02 +CO2(g) -3.50 -4.97 -1.47 1.000e+01 1.003e+01 2.650e-02 +Calcite 0.00 -8.48 -8.48 1.000e+01 9.973e+00 -2.683e-02 Goethite -0.00 -1.00 -1.00 1.000e+01 1.001e+01 1.333e-02 -Gypsum 0.00 -4.58 -4.58 0.000e+00 8.971e-03 8.971e-03 -Pyrite 0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02 +Gypsum 0.00 -4.58 -4.58 0.000e+00 8.976e-03 8.976e-03 +Pyrite -0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 3.468e-04 3.467e-04 - Ca 1.787e-02 1.787e-02 + C 3.317e-04 3.315e-04 + Ca 1.786e-02 1.786e-02 Cl 2.501e-02 2.500e-02 - Fe 9.031e-08 9.027e-08 + Fe 9.033e-08 9.029e-08 Na 2.501e-02 2.500e-02 - S 1.770e-02 1.770e-02 + S 1.770e-02 1.769e-02 ----------------------------Description of solution---------------------------- pH = 7.709 Charge balance pe = -3.556 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 5636 + Specific Conductance (µS/cm, 25°C) = 5635 Density (g/cm³) = 1.00044 Volume (L) = 1.00301 Viscosity (mPa s) = 0.90053 Activity of water = 0.999 - Ionic strength (mol/kgw) = 7.443e-02 + Ionic strength (mol/kgw) = 7.442e-02 Mass of water (kg) = 9.996e-01 - Total alkalinity (eq/kg) = 3.437e-04 - Total CO2 (mol/kg) = 3.468e-04 + Total alkalinity (eq/kg) = 3.286e-04 + Total CO2 (mol/kg) = 3.317e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -1.188e-09 + Electrical balance (eq) = -1.182e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.109632e+02 - Total O = 5.555325e+01 + Total O = 5.555319e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 6.608e-07 5.178e-07 -6.180 -6.286 -0.106 -3.80 + OH- 6.607e-07 5.177e-07 -6.180 -6.286 -0.106 -3.80 H+ 2.331e-08 1.952e-08 -7.632 -7.709 -0.077 0.00 H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 18.07 C(-4) 1.539e-14 CH4 1.539e-14 1.566e-14 -13.813 -13.805 0.007 35.46 -C(4) 3.468e-04 +C(4) 3.317e-04 HCO3- 3.038e-04 2.448e-04 -3.517 -3.611 -0.094 24.86 - CaHCO3+ 2.166e-05 1.759e-05 -4.664 -4.755 -0.090 9.82 CO2 1.064e-05 1.076e-05 -4.973 -4.968 0.005 34.43 + CaHCO3+ 6.550e-06 5.318e-06 -5.184 -5.274 -0.090 122.78 CaCO3 5.469e-06 5.563e-06 -5.262 -5.255 0.007 -14.60 NaHCO3 3.843e-06 3.977e-06 -5.415 -5.400 0.015 31.73 - CO3-2 1.395e-06 5.881e-07 -5.855 -6.231 -0.375 -2.97 - FeHCO3+ 8.619e-10 6.879e-10 -9.065 -9.162 -0.098 (0) + CO3-2 1.394e-06 5.880e-07 -5.856 -6.231 -0.375 -2.97 + FeHCO3+ 8.620e-10 6.880e-10 -9.064 -9.162 -0.098 (0) FeCO3 3.897e-10 3.964e-10 -9.409 -9.402 0.007 (0) (CO2)2 2.089e-12 2.125e-12 -11.680 -11.673 0.007 68.87 -Ca 1.787e-02 - Ca+2 1.326e-02 5.631e-03 -1.877 -2.249 -0.372 -17.52 +Ca 1.786e-02 + Ca+2 1.327e-02 5.632e-03 -1.877 -2.249 -0.372 -17.52 CaSO4 4.585e-03 4.664e-03 -2.339 -2.331 0.007 7.50 - CaHCO3+ 2.166e-05 1.759e-05 -4.664 -4.755 -0.090 9.82 + CaHCO3+ 6.550e-06 5.318e-06 -5.184 -5.274 -0.090 122.78 CaCO3 5.469e-06 5.563e-06 -5.262 -5.255 0.007 -14.60 - CaOH+ 5.989e-08 4.780e-08 -7.223 -7.321 -0.098 (0) - CaHSO4+ 7.499e-10 5.985e-10 -9.125 -9.223 -0.098 (0) + CaOH+ 5.990e-08 4.781e-08 -7.223 -7.320 -0.098 (0) + CaHSO4+ 7.500e-10 5.986e-10 -9.125 -9.223 -0.098 (0) Cl 2.501e-02 Cl- 2.501e-02 1.970e-02 -1.602 -1.706 -0.104 18.30 - FeCl+ 9.572e-10 7.640e-10 -9.019 -9.117 -0.098 (0) - HCl 1.231e-10 1.325e-10 -9.910 -9.878 0.032 (0) - FeCl+2 1.075e-24 4.438e-25 -23.968 -24.353 -0.384 (0) - FeCl2+ 4.871e-26 3.905e-26 -25.312 -25.408 -0.096 (0) - FeCl3 7.560e-29 7.691e-29 -28.121 -28.114 0.007 (0) -Fe(2) 9.031e-08 - Fe+2 6.466e-08 2.810e-08 -7.189 -7.551 -0.362 -21.54 + FeCl+ 9.575e-10 7.642e-10 -9.019 -9.117 -0.098 (0) + HCl 1.232e-10 1.325e-10 -9.910 -9.878 0.032 (0) + FeCl+2 1.076e-24 4.440e-25 -23.968 -24.353 -0.384 (0) + FeCl2+ 4.874e-26 3.906e-26 -25.312 -25.408 -0.096 (0) + FeCl3 7.564e-29 7.694e-29 -28.121 -28.114 0.007 (0) +Fe(2) 9.033e-08 + Fe+2 6.467e-08 2.811e-08 -7.189 -7.551 -0.362 -21.54 FeSO4 2.288e-08 2.328e-08 -7.641 -7.633 0.007 18.97 - FeCl+ 9.572e-10 7.640e-10 -9.019 -9.117 -0.098 (0) - FeHCO3+ 8.619e-10 6.879e-10 -9.065 -9.162 -0.098 (0) - FeOH+ 5.671e-10 4.545e-10 -9.246 -9.342 -0.096 (0) + FeCl+ 9.575e-10 7.642e-10 -9.019 -9.117 -0.098 (0) + FeHCO3+ 8.620e-10 6.880e-10 -9.064 -9.162 -0.098 (0) + FeOH+ 5.671e-10 4.546e-10 -9.246 -9.342 -0.096 (0) FeCO3 3.897e-10 3.964e-10 -9.409 -9.402 0.007 (0) Fe(OH)2 1.945e-13 1.979e-13 -12.711 -12.704 0.007 (0) - FeHSO4+ 3.742e-15 2.987e-15 -14.427 -14.525 -0.098 (0) - Fe(OH)3- 4.693e-16 3.761e-16 -15.329 -15.425 -0.096 (0) + FeHSO4+ 3.743e-15 2.987e-15 -14.427 -14.525 -0.098 (0) + Fe(OH)3- 4.692e-16 3.761e-16 -15.329 -15.425 -0.096 (0) Fe(HS)2 1.434e-18 1.458e-18 -17.844 -17.836 0.007 (0) - Fe(HS)3- 4.802e-26 3.832e-26 -25.319 -25.417 -0.098 (0) + Fe(HS)3- 4.801e-26 3.832e-26 -25.319 -25.417 -0.098 (0) Fe(3) 3.381e-14 Fe(OH)3 2.704e-14 2.751e-14 -13.568 -13.561 0.007 (0) Fe(OH)2+ 5.180e-15 4.174e-15 -14.286 -14.379 -0.094 (0) Fe(OH)4- 1.592e-15 1.283e-15 -14.798 -14.892 -0.094 (0) - FeOH+2 5.970e-19 2.464e-19 -18.224 -18.608 -0.384 (0) - FeSO4+ 4.754e-23 3.811e-23 -22.323 -22.419 -0.096 (0) - Fe(SO4)2- 4.866e-24 3.884e-24 -23.313 -23.411 -0.098 (0) - Fe+3 3.681e-24 7.460e-25 -23.434 -24.127 -0.693 (0) - FeCl+2 1.075e-24 4.438e-25 -23.968 -24.353 -0.384 (0) - FeCl2+ 4.871e-26 3.905e-26 -25.312 -25.408 -0.096 (0) - FeCl3 7.560e-29 7.691e-29 -28.121 -28.114 0.007 (0) - FeHSO4+2 4.909e-30 1.992e-30 -29.309 -29.701 -0.392 (0) - Fe2(OH)2+4 6.028e-35 1.634e-36 -34.220 -35.787 -1.567 (0) + FeOH+2 5.972e-19 2.465e-19 -18.224 -18.608 -0.384 (0) + FeSO4+ 4.755e-23 3.811e-23 -22.323 -22.419 -0.096 (0) + Fe(SO4)2- 4.865e-24 3.883e-24 -23.313 -23.411 -0.098 (0) + Fe+3 3.682e-24 7.463e-25 -23.434 -24.127 -0.693 (0) + FeCl+2 1.076e-24 4.440e-25 -23.968 -24.353 -0.384 (0) + FeCl2+ 4.874e-26 3.906e-26 -25.312 -25.408 -0.096 (0) + FeCl3 7.564e-29 7.694e-29 -28.121 -28.114 0.007 (0) + FeHSO4+2 4.910e-30 1.993e-30 -29.309 -29.701 -0.392 (0) + Fe2(OH)2+4 6.031e-35 1.635e-36 -34.220 -35.786 -1.567 (0) Fe3(OH)4+5 0.000e+00 0.000e+00 -45.398 -47.846 -2.448 (0) H(0) 6.862e-12 H2 3.431e-12 3.490e-12 -11.465 -11.457 0.007 28.61 Na 2.501e-02 Na+ 2.325e-02 1.865e-02 -1.633 -1.729 -0.096 -1.15 - NaSO4- 1.753e-03 1.414e-03 -2.756 -2.849 -0.093 -6.75 + NaSO4- 1.753e-03 1.414e-03 -2.756 -2.850 -0.093 -6.75 NaHCO3 3.843e-06 3.977e-06 -5.415 -5.400 0.015 31.73 - NaOH 9.493e-19 9.657e-19 -18.023 -18.015 0.007 (0) + NaOH 9.492e-19 9.656e-19 -18.023 -18.015 0.007 (0) O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -69.474 -69.467 0.007 30.40 -S(-2) 3.485e-10 - HS- 3.080e-10 2.413e-10 -9.511 -9.617 -0.106 20.83 +S(-2) 3.484e-10 + HS- 3.079e-10 2.413e-10 -9.512 -9.617 -0.106 20.83 H2S 4.049e-11 4.119e-11 -10.393 -10.385 0.007 36.27 - S-2 3.618e-15 1.493e-15 -14.442 -14.826 -0.384 (0) + S-2 3.617e-15 1.493e-15 -14.442 -14.826 -0.384 (0) Fe(HS)2 1.434e-18 1.458e-18 -17.844 -17.836 0.007 (0) (H2S)2 8.789e-23 8.941e-23 -22.056 -22.049 0.007 30.09 - Fe(HS)3- 4.802e-26 3.832e-26 -25.319 -25.417 -0.098 (0) + Fe(HS)3- 4.801e-26 3.832e-26 -25.319 -25.417 -0.098 (0) S(6) 1.770e-02 - SO4-2 1.136e-02 4.658e-03 -1.944 -2.332 -0.387 23.18 + SO4-2 1.136e-02 4.657e-03 -1.945 -2.332 -0.387 23.18 CaSO4 4.585e-03 4.664e-03 -2.339 -2.331 0.007 7.50 - NaSO4- 1.753e-03 1.414e-03 -2.756 -2.849 -0.093 -6.75 + NaSO4- 1.753e-03 1.414e-03 -2.756 -2.850 -0.093 -6.75 FeSO4 2.288e-08 2.328e-08 -7.641 -7.633 0.007 18.97 - HSO4- 1.108e-08 8.842e-09 -7.956 -8.053 -0.098 40.50 - CaHSO4+ 7.499e-10 5.985e-10 -9.125 -9.223 -0.098 (0) - FeHSO4+ 3.742e-15 2.987e-15 -14.427 -14.525 -0.098 (0) - FeSO4+ 4.754e-23 3.811e-23 -22.323 -22.419 -0.096 (0) - Fe(SO4)2- 4.866e-24 3.884e-24 -23.313 -23.411 -0.098 (0) - FeHSO4+2 4.909e-30 1.992e-30 -29.309 -29.701 -0.392 (0) + HSO4- 1.108e-08 8.840e-09 -7.956 -8.054 -0.098 40.50 + CaHSO4+ 7.500e-10 5.986e-10 -9.125 -9.223 -0.098 (0) + FeHSO4+ 3.743e-15 2.987e-15 -14.427 -14.525 -0.098 (0) + FeSO4+ 4.755e-23 3.811e-23 -22.323 -22.419 -0.096 (0) + Fe(SO4)2- 4.865e-24 3.883e-24 -23.313 -23.411 -0.098 (0) + FeHSO4+2 4.910e-30 1.993e-30 -29.309 -29.701 -0.392 (0) ------------------------------Saturation indices------------------------------- @@ -1177,7 +1177,7 @@ S(6) 1.770e-02 Melanterite -7.68 -9.89 -2.21 FeSO4:7H2O Mirabilite -4.56 -5.80 -1.24 Na2SO4:10H2O O2(g) -66.57 -69.47 -2.89 O2 - Pyrite 0.00 -18.48 -18.48 FeS2 + Pyrite -0.00 -18.48 -18.48 FeS2 Siderite -2.89 -13.78 -10.89 FeCO3 Sulfur -6.96 -2.08 4.88 S Thenardite -5.49 -5.79 -0.30 Na2SO4 diff --git a/ex5.sel b/ex5.sel index da7da55d..f577caf6 100644 --- a/ex5.sel +++ b/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 8.27917 -4.94281 0.0000e+00 1.0000e+01 -3.1435e-08 1.0000e+01 1.0959e-08 9.9995e+00 -4.9333e-04 9.9995e+00 -4.8687e-04 0.0000e+00 0.0000e+00 -6.1255 - 1 react 1 -99 0 2 8.1702 -4.28572 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2681e-04 1.0000e+01 1.4260e-04 0.0000e+00 0.0000e+00 -2.0147 - 1 react 1 -99 0 3 7.97893 -3.96644 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9356e-03 1.0002e+01 2.3967e-03 0.0000e+00 0.0000e+00 -1.0550 - 1 react 1 -99 0 4 7.87949 -3.8118 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5572e-03 1.0005e+01 5.1073e-03 0.0000e+00 0.0000e+00 -0.6415 - 1 react 1 -99 0 5 7.72176 -3.57172 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6173e-02 1.0016e+01 1.5824e-02 0.0000e+00 0.0000e+00 -0.0254 - 1 react 1 -99 0 6 7.70948 -3.55591 2.5011e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6838e-02 1.0026e+01 2.6492e-02 8.9714e-03 8.9714e-03 0.0000 + 1 react 1 -99 0 1 8.27866 -4.94223 0.0000e+00 1.0000e+01 -3.1401e-08 1.0000e+01 1.0888e-08 9.9995e+00 -4.9102e-04 9.9995e+00 -4.8459e-04 0.0000e+00 0.0000e+00 -6.1251 + 1 react 1 -99 0 2 8.16976 -4.28517 5.0000e-04 9.9997e+00 -2.6667e-04 1.0000e+01 2.6666e-04 9.9991e+00 -9.2415e-04 1.0000e+01 1.4524e-04 0.0000e+00 0.0000e+00 -2.0139 + 1 react 1 -99 0 3 7.97867 -3.96612 2.5000e-03 9.9987e+00 -1.3333e-03 1.0001e+01 1.3333e-03 9.9971e+00 -2.9318e-03 1.0002e+01 2.4006e-03 0.0000e+00 0.0000e+00 -1.0546 + 1 react 1 -99 0 4 7.8793 -3.81158 5.0001e-03 9.9973e+00 -2.6667e-03 1.0003e+01 2.6666e-03 9.9944e+00 -5.5524e-03 1.0005e+01 5.1122e-03 0.0000e+00 0.0000e+00 -0.6412 + 1 react 1 -99 0 5 7.72165 -3.57159 1.5001e-02 9.9920e+00 -8.0000e-03 1.0008e+01 7.9999e-03 9.9838e+00 -1.6165e-02 1.0016e+01 1.5831e-02 0.0000e+00 0.0000e+00 -0.0253 + 1 react 1 -99 0 6 7.70941 -3.55585 2.5011e-02 9.9867e+00 -1.3333e-02 1.0013e+01 1.3333e-02 9.9732e+00 -2.6831e-02 1.0026e+01 2.6499e-02 8.9755e-03 8.9755e-03 0.0000 diff --git a/ex6.out b/ex6.out index e8ce61a7..6e015cc3 100644 --- a/ex6.out +++ b/ex6.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex7.out b/ex7.out index 15a365e0..0570eece 100644 --- a/ex7.out +++ b/ex7.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ @@ -128,60 +128,60 @@ Using pure phase assemblage 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -3.568e-03 -Calcite 0.00 -8.48 -8.48 1.000e+01 9.997e+00 -2.502e-03 +CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -3.519e-03 +Calcite 0.00 -8.48 -8.48 1.000e+01 9.998e+00 -2.453e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 6.070e-03 6.070e-03 - Ca 2.502e-03 2.502e-03 + C 5.972e-03 5.972e-03 + Ca 2.453e-03 2.453e-03 ----------------------------Description of solution---------------------------- - pH = 6.971 Charge balance - pe = -1.249 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 458 - Density (g/cm³) = 0.99738 + pH = 6.969 Charge balance + pe = -1.247 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 457 + Density (g/cm³) = 0.99737 Volume (L) = 1.00304 Viscosity (mPa s) = 0.89302 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.282e-03 + Ionic strength (mol/kgw) = 7.281e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.004e-03 - Total CO2 (mol/kg) = 6.070e-03 + Total alkalinity (eq/kg) = 4.906e-03 + Total CO2 (mol/kg) = 5.972e-03 Temperature (°C) = 25.00 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 17 Total H = 1.110124e+02 - Total O = 5.552086e+01 + Total O = 5.552061e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.158e-07 1.069e-07 -6.936 -6.971 -0.035 0.00 - OH- 1.037e-07 9.466e-08 -6.984 -7.024 -0.040 -4.05 + H+ 1.164e-07 1.075e-07 -6.934 -6.969 -0.035 0.00 + OH- 1.032e-07 9.418e-08 -6.986 -7.026 -0.040 -4.05 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 -C(-4) 4.416e-25 - CH4 4.416e-25 4.424e-25 -24.355 -24.354 0.001 35.46 -C(4) 6.070e-03 - HCO3- 4.882e-03 4.475e-03 -2.311 -2.349 -0.038 24.63 +C(-4) 4.428e-25 + CH4 4.428e-25 4.435e-25 -24.354 -24.353 0.001 35.46 +C(4) 5.972e-03 + HCO3- 4.857e-03 4.452e-03 -2.314 -2.351 -0.038 24.63 CO2 1.075e-03 1.076e-03 -2.969 -2.968 0.000 34.43 - CaHCO3+ 1.050e-04 9.632e-05 -3.979 -4.016 -0.037 9.71 + CaHCO3+ 3.189e-05 2.927e-05 -4.496 -4.534 -0.037 122.68 CaCO3 5.554e-06 5.563e-06 -5.255 -5.255 0.001 -14.60 - CO3-2 2.780e-06 1.963e-06 -5.556 -5.707 -0.151 -3.73 + CO3-2 2.752e-06 1.943e-06 -5.560 -5.711 -0.151 -3.73 (CO2)2 2.121e-08 2.125e-08 -7.673 -7.673 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.687e-03 -2.621 -2.773 -0.151 -17.97 - CaHCO3+ 1.050e-04 9.632e-05 -3.979 -4.016 -0.037 9.71 +Ca 2.453e-03 + Ca+2 2.415e-03 1.704e-03 -2.617 -2.768 -0.151 -17.97 + CaHCO3+ 3.189e-05 2.927e-05 -4.496 -4.534 -0.037 122.68 CaCO3 5.554e-06 5.563e-06 -5.255 -5.255 0.001 -14.60 - CaOH+ 2.864e-09 2.618e-09 -8.543 -8.582 -0.039 (0) -H(0) 5.084e-15 - H2 2.542e-15 2.546e-15 -14.595 -14.594 0.001 28.61 + CaOH+ 2.879e-09 2.632e-09 -8.541 -8.580 -0.039 (0) +H(0) 5.087e-15 + H2 2.544e-15 2.548e-15 -14.595 -14.594 0.001 28.61 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -63.193 -63.192 0.001 30.40 @@ -286,64 +286,64 @@ Reaction 1. Elements Molality Moles - C 7.070e-03 7.070e-03 - Ca 2.502e-03 2.502e-03 + C 6.972e-03 6.972e-03 + Ca 2.453e-03 2.453e-03 N 7.000e-05 7.000e-05 ----------------------------Description of solution---------------------------- - pH = 6.832 Charge balance - pe = -3.723 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 461 - Density (g/cm³) = 0.99738 - Volume (L) = 1.00306 + pH = 6.829 Charge balance + pe = -3.721 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 460 + Density (g/cm³) = 0.99737 + Volume (L) = 1.00307 Viscosity (mPa s) = 0.89305 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.352e-03 + Ionic strength (mol/kgw) = 7.354e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.073e-03 - Total CO2 (mol/kg) = 6.570e-03 + Total alkalinity (eq/kg) = 4.976e-03 + Total CO2 (mol/kg) = 6.472e-03 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Total H = 1.110146e+02 - Total O = 5.552186e+01 + Total O = 5.552161e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.597e-07 1.474e-07 -6.797 -6.832 -0.035 0.00 - OH- 7.527e-08 6.867e-08 -7.123 -7.163 -0.040 -4.05 + H+ 1.605e-07 1.481e-07 -6.795 -6.829 -0.035 0.00 + OH- 7.491e-08 6.835e-08 -7.125 -7.165 -0.040 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 5.001e-04 CH4 5.001e-04 5.009e-04 -3.301 -3.300 0.001 35.46 -C(4) 6.570e-03 - HCO3- 4.955e-03 4.540e-03 -2.305 -2.343 -0.038 24.63 +C(4) 6.472e-03 + HCO3- 4.931e-03 4.518e-03 -2.307 -2.345 -0.038 24.63 CO2 1.503e-03 1.504e-03 -2.823 -2.823 0.000 34.43 - CaHCO3+ 1.064e-04 9.758e-05 -3.973 -4.011 -0.037 9.71 - CaCO3 4.082e-06 4.089e-06 -5.389 -5.388 0.001 -14.60 - CO3-2 2.050e-06 1.445e-06 -5.688 -5.840 -0.152 -3.72 + CaHCO3+ 3.232e-05 2.966e-05 -4.490 -4.528 -0.037 122.68 + CaCO3 4.086e-06 4.093e-06 -5.389 -5.388 0.001 -14.60 + CO3-2 2.030e-06 1.431e-06 -5.692 -5.844 -0.152 -3.72 (CO2)2 4.147e-08 4.154e-08 -7.382 -7.382 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.685e-03 -2.621 -2.773 -0.152 -17.97 - CaHCO3+ 1.064e-04 9.758e-05 -3.973 -4.011 -0.037 9.71 - CaCO3 4.082e-06 4.089e-06 -5.389 -5.388 0.001 -14.60 - CaOH+ 2.076e-09 1.897e-09 -8.683 -8.722 -0.039 (0) +Ca 2.453e-03 + Ca+2 2.417e-03 1.702e-03 -2.617 -2.769 -0.152 -17.97 + CaHCO3+ 3.232e-05 2.966e-05 -4.490 -4.528 -0.037 122.68 + CaCO3 4.086e-06 4.093e-06 -5.389 -5.388 0.001 -14.60 + CaOH+ 2.088e-09 1.908e-09 -8.680 -8.720 -0.039 (0) H(0) 8.575e-10 H2 4.288e-10 4.295e-10 -9.368 -9.367 0.001 28.61 -N(-3) 6.986e-05 +N(-3) 6.987e-05 NH4+ 6.962e-05 6.337e-05 -4.157 -4.198 -0.041 (0) - NH3 2.446e-07 2.450e-07 -6.612 -6.611 0.001 (0) -N(0) 1.393e-07 - N2 6.967e-08 6.979e-08 -7.157 -7.156 0.001 29.29 + NH3 2.435e-07 2.439e-07 -6.614 -6.613 0.001 (0) +N(0) 1.380e-07 + N2 6.901e-08 6.913e-08 -7.161 -7.160 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -62.351 -62.391 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -62.355 -62.395 -0.040 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -84.704 -84.744 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -84.708 -84.748 -0.040 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.647 -73.646 0.001 30.40 @@ -392,64 +392,64 @@ Reaction 1. Elements Molality Moles - C 8.070e-03 8.070e-03 - Ca 2.502e-03 2.502e-03 + C 7.972e-03 7.972e-03 + Ca 2.453e-03 2.453e-03 N 1.400e-04 1.400e-04 ----------------------------Description of solution---------------------------- - pH = 6.729 Charge balance - pe = -3.644 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 464 - Density (g/cm³) = 0.99738 + pH = 6.727 Charge balance + pe = -3.642 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 463 + Density (g/cm³) = 0.99737 Volume (L) = 1.00310 Viscosity (mPa s) = 0.89307 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.421e-03 + Ionic strength (mol/kgw) = 7.425e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.143e-03 - Total CO2 (mol/kg) = 7.070e-03 + Total alkalinity (eq/kg) = 5.046e-03 + Total CO2 (mol/kg) = 6.972e-03 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 16 + Iterations = 15 Total H = 1.110169e+02 - Total O = 5.552286e+01 + Total O = 5.552261e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 2.025e-07 1.868e-07 -6.694 -6.729 -0.035 0.00 - OH- 5.939e-08 5.417e-08 -7.226 -7.266 -0.040 -4.05 + H+ 2.034e-07 1.877e-07 -6.692 -6.727 -0.035 0.00 + OH- 5.913e-08 5.392e-08 -7.228 -7.268 -0.040 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 1.000e-03 CH4 1.000e-03 1.002e-03 -3.000 -2.999 0.001 35.46 -C(4) 7.070e-03 - HCO3- 5.026e-03 4.603e-03 -2.299 -2.337 -0.038 24.63 +C(4) 6.972e-03 + HCO3- 5.003e-03 4.582e-03 -2.301 -2.339 -0.038 24.63 CO2 1.932e-03 1.934e-03 -2.714 -2.714 0.000 34.43 - CaHCO3+ 1.077e-04 9.878e-05 -3.968 -4.005 -0.038 9.71 - CaCO3 3.260e-06 3.265e-06 -5.487 -5.486 0.001 -14.60 - CO3-2 1.642e-06 1.156e-06 -5.785 -5.937 -0.152 -3.72 + CaHCO3+ 3.275e-05 3.004e-05 -4.485 -4.522 -0.038 122.68 + CaCO3 3.265e-06 3.271e-06 -5.486 -5.485 0.001 -14.60 + CO3-2 1.627e-06 1.145e-06 -5.789 -5.941 -0.152 -3.72 (CO2)2 6.852e-08 6.864e-08 -7.164 -7.163 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.682e-03 -2.621 -2.774 -0.153 -17.97 - CaHCO3+ 1.077e-04 9.878e-05 -3.968 -4.005 -0.038 9.71 - CaCO3 3.260e-06 3.265e-06 -5.487 -5.486 0.001 -14.60 - CaOH+ 1.635e-09 1.494e-09 -8.786 -8.826 -0.039 (0) +Ca 2.453e-03 + Ca+2 2.417e-03 1.700e-03 -2.617 -2.770 -0.153 -17.97 + CaHCO3+ 3.275e-05 3.004e-05 -4.485 -4.522 -0.038 122.68 + CaCO3 3.265e-06 3.271e-06 -5.486 -5.485 0.001 -14.60 + CaOH+ 1.646e-09 1.503e-09 -8.784 -8.823 -0.039 (0) H(0) 9.577e-10 H2 4.789e-10 4.797e-10 -9.320 -9.319 0.001 28.61 N(-3) 1.398e-04 NH4+ 1.394e-04 1.268e-04 -3.856 -3.897 -0.041 (0) - NH3 3.861e-07 3.868e-07 -6.413 -6.413 0.001 (0) -N(0) 2.492e-07 - N2 1.246e-07 1.248e-07 -6.904 -6.904 0.001 29.29 + NH3 3.844e-07 3.850e-07 -6.415 -6.414 0.001 (0) +N(0) 2.470e-07 + N2 1.235e-07 1.237e-07 -6.908 -6.908 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -62.399 -62.440 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -62.403 -62.444 -0.041 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -84.800 -84.841 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -84.804 -84.845 -0.041 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.743 -73.742 0.001 30.40 @@ -457,13 +457,13 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.38 -8.71 -8.34 CaCO3 + Aragonite -0.37 -8.71 -8.34 CaCO3 Calcite -0.23 -8.71 -8.48 CaCO3 CH4(g) -0.20 -3.00 -2.80 CH4 CO2(g) -1.25 -2.71 -1.47 CO2 H2(g) -6.22 -9.32 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - N2(g) -3.73 -6.90 -3.18 N2 + N2(g) -3.73 -6.91 -3.18 N2 NH3(g) -8.18 -6.41 1.77 NH3 O2(g) -70.85 -73.74 -2.89 O2 @@ -498,64 +498,64 @@ Reaction 1. Elements Molality Moles - C 9.070e-03 9.070e-03 - Ca 2.502e-03 2.502e-03 + C 8.972e-03 8.972e-03 + Ca 2.453e-03 2.453e-03 N 2.100e-04 2.100e-04 ----------------------------Description of solution---------------------------- - pH = 6.647 Charge balance - pe = -3.574 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 466 - Density (g/cm³) = 0.99738 + pH = 6.645 Charge balance + pe = -3.572 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 465 + Density (g/cm³) = 0.99737 Volume (L) = 1.00313 Viscosity (mPa s) = 0.89310 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.490e-03 + Ionic strength (mol/kgw) = 7.495e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.213e-03 - Total CO2 (mol/kg) = 7.570e-03 + Total alkalinity (eq/kg) = 5.116e-03 + Total CO2 (mol/kg) = 7.472e-03 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Total H = 1.110191e+02 - Total O = 5.552386e+01 + Total O = 5.552361e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 2.443e-07 2.253e-07 -6.612 -6.647 -0.035 0.00 - OH- 4.927e-08 4.492e-08 -7.307 -7.348 -0.040 -4.05 + H+ 2.453e-07 2.263e-07 -6.610 -6.645 -0.035 0.00 + OH- 4.906e-08 4.473e-08 -7.309 -7.349 -0.040 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 1.500e-03 CH4 1.500e-03 1.503e-03 -2.824 -2.823 0.001 35.46 -C(4) 7.570e-03 - HCO3- 5.096e-03 4.666e-03 -2.293 -2.331 -0.038 24.63 +C(4) 7.472e-03 + HCO3- 5.074e-03 4.646e-03 -2.295 -2.333 -0.038 24.63 CO2 2.361e-03 2.364e-03 -2.627 -2.626 0.000 34.43 - CaHCO3+ 1.090e-04 9.995e-05 -3.963 -4.000 -0.038 9.71 - CaCO3 2.735e-06 2.740e-06 -5.563 -5.562 0.001 -14.60 - CO3-2 1.382e-06 9.714e-07 -5.860 -6.013 -0.153 -3.72 + CaHCO3+ 3.317e-05 3.041e-05 -4.479 -4.517 -0.038 122.68 + CaCO3 2.742e-06 2.747e-06 -5.562 -5.561 0.001 -14.60 + CO3-2 1.370e-06 9.631e-07 -5.863 -6.016 -0.153 -3.72 (CO2)2 1.024e-07 1.025e-07 -6.990 -6.989 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.390e-03 1.679e-03 -2.622 -2.775 -0.153 -17.97 - CaHCO3+ 1.090e-04 9.995e-05 -3.963 -4.000 -0.038 9.71 - CaCO3 2.735e-06 2.740e-06 -5.563 -5.562 0.001 -14.60 - CaOH+ 1.354e-09 1.237e-09 -8.868 -8.908 -0.039 (0) +Ca 2.453e-03 + Ca+2 2.417e-03 1.698e-03 -2.617 -2.770 -0.153 -17.97 + CaHCO3+ 3.317e-05 3.041e-05 -4.479 -4.517 -0.038 122.68 + CaCO3 2.742e-06 2.747e-06 -5.562 -5.561 0.001 -14.60 + CaOH+ 1.364e-09 1.245e-09 -8.865 -8.905 -0.039 (0) H(0) 1.008e-09 H2 5.040e-10 5.049e-10 -9.298 -9.297 0.001 28.61 N(-3) 2.097e-04 NH4+ 2.092e-04 1.903e-04 -3.679 -3.721 -0.041 (0) - NH3 4.805e-07 4.813e-07 -6.318 -6.318 0.001 (0) -N(0) 3.310e-07 - N2 1.655e-07 1.658e-07 -6.781 -6.781 0.001 29.29 + NH3 4.784e-07 4.792e-07 -6.320 -6.319 0.001 (0) +N(0) 3.281e-07 + N2 1.640e-07 1.643e-07 -6.785 -6.784 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -62.452 -62.493 -0.041 25.02 + NO2- 0.000e+00 0.000e+00 -62.456 -62.497 -0.041 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -84.876 -84.916 -0.041 29.54 + NO3- 0.000e+00 0.000e+00 -84.879 -84.920 -0.041 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.787 -73.787 0.001 30.40 @@ -569,7 +569,7 @@ O(0) 0.000e+00 CO2(g) -1.16 -2.63 -1.47 CO2 H2(g) -6.20 -9.30 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O - N2(g) -3.60 -6.78 -3.18 N2 + N2(g) -3.61 -6.78 -3.18 N2 NH3(g) -8.09 -6.32 1.77 NH3 O2(g) -70.89 -73.79 -2.89 O2 @@ -612,70 +612,70 @@ Component log P P phi Initial Final Delta CH4(g) -0.01 9.866e-01 0.998 0.000e+00 4.502e-04 4.502e-04 CO2(g) -1.09 8.149e-02 0.994 0.000e+00 3.719e-05 3.719e-05 H2O(g) -1.50 3.157e-02 0.995 0.000e+00 1.441e-05 1.441e-05 -N2(g) -3.44 3.640e-04 1.000 0.000e+00 1.661e-07 1.661e-07 +N2(g) -3.44 3.610e-04 1.000 0.000e+00 1.647e-07 1.647e-07 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 9.583e-03 9.582e-03 - Ca 2.502e-03 2.502e-03 + C 9.485e-03 9.485e-03 + Ca 2.453e-03 2.453e-03 N 2.797e-04 2.797e-04 ----------------------------Description of solution---------------------------- - pH = 6.586 Charge balance - pe = -3.506 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 469 - Density (g/cm³) = 0.99739 + pH = 6.584 Charge balance + pe = -3.504 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 468 + Density (g/cm³) = 0.99738 Volume (L) = 1.00315 Viscosity (mPa s) = 0.89313 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.558e-03 - Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 5.283e-03 - Total CO2 (mol/kg) = 8.033e-03 + Ionic strength (mol/kgw) = 7.565e-03 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 5.185e-03 + Total CO2 (mol/kg) = 7.935e-03 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.110194e+02 - Total O = 5.552477e+01 + Total O = 5.552452e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 2.813e-07 2.593e-07 -6.551 -6.586 -0.035 0.00 - OH- 4.282e-08 3.903e-08 -7.368 -7.409 -0.040 -4.05 + H+ 2.824e-07 2.604e-07 -6.549 -6.584 -0.035 0.00 + OH- 4.265e-08 3.887e-08 -7.370 -7.410 -0.040 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 1.550e-03 CH4 1.550e-03 1.553e-03 -2.810 -2.809 0.001 35.46 -C(4) 8.033e-03 - HCO3- 5.165e-03 4.728e-03 -2.287 -2.325 -0.038 24.63 +C(4) 7.935e-03 + HCO3- 5.144e-03 4.708e-03 -2.289 -2.327 -0.038 24.63 CO2 2.753e-03 2.757e-03 -2.560 -2.560 0.000 34.43 - CaHCO3+ 1.103e-04 1.011e-04 -3.957 -3.995 -0.038 9.72 - CaCO3 2.403e-06 2.408e-06 -5.619 -5.618 0.001 -14.60 - CO3-2 1.218e-06 8.551e-07 -5.914 -6.068 -0.154 -3.72 + CaHCO3+ 3.358e-05 3.077e-05 -4.474 -4.512 -0.038 122.68 + CaCO3 2.411e-06 2.415e-06 -5.618 -5.617 0.001 -14.60 + CO3-2 1.208e-06 8.481e-07 -5.918 -6.072 -0.154 -3.72 (CO2)2 1.392e-07 1.395e-07 -6.856 -6.855 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.389e-03 1.676e-03 -2.622 -2.776 -0.154 -17.96 - CaHCO3+ 1.103e-04 1.011e-04 -3.957 -3.995 -0.038 9.72 - CaCO3 2.403e-06 2.408e-06 -5.619 -5.618 0.001 -14.60 - CaOH+ 1.175e-09 1.072e-09 -8.930 -8.970 -0.040 (0) +Ca 2.453e-03 + Ca+2 2.417e-03 1.695e-03 -2.617 -2.771 -0.154 -17.96 + CaHCO3+ 3.358e-05 3.077e-05 -4.474 -4.512 -0.038 122.68 + CaCO3 2.411e-06 2.415e-06 -5.618 -5.617 0.001 -14.60 + CaOH+ 1.184e-09 1.080e-09 -8.927 -8.966 -0.040 (0) H(0) 9.779e-10 H2 4.890e-10 4.898e-10 -9.311 -9.310 0.001 28.61 N(-3) 2.792e-04 - NH4+ 2.786e-04 2.533e-04 -3.555 -3.596 -0.041 (0) - NH3 5.557e-07 5.567e-07 -6.255 -6.254 0.001 (0) -N(0) 4.849e-07 - N2 2.424e-07 2.429e-07 -6.615 -6.615 0.001 29.29 + NH4+ 2.787e-04 2.533e-04 -3.555 -3.596 -0.041 (0) + NH3 5.534e-07 5.544e-07 -6.257 -6.256 0.001 (0) +N(0) 4.809e-07 + N2 2.404e-07 2.409e-07 -6.619 -6.618 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -62.411 -62.451 -0.041 25.02 + NO2- 0.000e+00 0.000e+00 -62.414 -62.455 -0.041 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -84.821 -84.862 -0.041 29.54 + NO3- 0.000e+00 0.000e+00 -84.824 -84.865 -0.041 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.761 -73.760 0.001 30.40 @@ -689,8 +689,8 @@ O(0) 0.000e+00 CO2(g) -1.09 -2.56 -1.47 CO2 Pressure 0.1 atm, phi 0.994 H2(g) -6.21 -9.31 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.995 - N2(g) -3.44 -6.61 -3.18 N2 Pressure 0.0 atm, phi 1.000 - NH3(g) -8.02 -6.25 1.77 NH3 + N2(g) -3.44 -6.62 -3.18 N2 Pressure 0.0 atm, phi 1.000 + NH3(g) -8.03 -6.26 1.77 NH3 O2(g) -70.87 -73.76 -2.89 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -730,72 +730,72 @@ Total pressure: 1.10 atmospheres (Peng-Robinson calculation) Component log P P phi Initial Final Delta CH4(g) -0.03 9.437e-01 0.998 0.000e+00 2.520e-03 2.520e-03 -CO2(g) -0.91 1.238e-01 0.994 0.000e+00 3.306e-04 3.306e-04 +CO2(g) -0.91 1.238e-01 0.994 0.000e+00 3.305e-04 3.305e-04 H2O(g) -1.50 3.158e-02 0.995 0.000e+00 8.432e-05 8.432e-05 -N2(g) -3.01 9.676e-04 1.000 0.000e+00 2.584e-06 2.584e-06 +N2(g) -3.02 9.612e-04 1.000 0.000e+00 2.567e-06 2.567e-06 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 1.122e-02 1.122e-02 - Ca 2.502e-03 2.502e-03 - N 5.549e-04 5.548e-04 + C 1.112e-02 1.112e-02 + Ca 2.453e-03 2.453e-03 + N 5.549e-04 5.549e-04 ----------------------------Description of solution---------------------------- - pH = 6.426 Charge balance - pe = -3.321 Adjusted to redox equilibrium + pH = 6.425 Charge balance + pe = -3.320 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 479 - Density (g/cm³) = 0.99742 - Volume (L) = 1.00319 + Density (g/cm³) = 0.99741 + Volume (L) = 1.00320 Viscosity (mPa s) = 0.89323 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.824e-03 + Ionic strength (mol/kgw) = 7.837e-03 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 5.557e-03 - Total CO2 (mol/kg) = 9.737e-03 + Total alkalinity (eq/kg) = 5.460e-03 + Total CO2 (mol/kg) = 9.640e-03 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 21 Total H = 1.110199e+02 - Total O = 5.552811e+01 + Total O = 5.552787e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 4.069e-07 3.747e-07 -6.391 -6.426 -0.036 0.00 - OH- 2.968e-08 2.701e-08 -7.528 -7.569 -0.041 -4.05 + H+ 4.083e-07 3.760e-07 -6.389 -6.425 -0.036 0.00 + OH- 2.958e-08 2.692e-08 -7.529 -7.570 -0.041 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 1.483e-03 CH4 1.483e-03 1.485e-03 -2.829 -2.828 0.001 35.46 -C(4) 9.737e-03 - HCO3- 5.436e-03 4.969e-03 -2.265 -2.304 -0.039 24.64 +C(4) 9.640e-03 + HCO3- 5.419e-03 4.953e-03 -2.266 -2.305 -0.039 24.64 CO2 4.182e-03 4.187e-03 -2.379 -2.378 0.001 34.43 - CaHCO3+ 1.153e-04 1.055e-04 -3.938 -3.977 -0.038 9.72 - CaCO3 1.736e-06 1.739e-06 -5.761 -5.760 0.001 -14.60 - CO3-2 8.908e-07 6.220e-07 -6.050 -6.206 -0.156 -3.71 + CaHCO3+ 3.516e-05 3.219e-05 -4.454 -4.492 -0.038 122.68 + CaCO3 1.746e-06 1.749e-06 -5.758 -5.757 0.001 -14.60 + CO3-2 8.851e-07 6.179e-07 -6.053 -6.209 -0.156 -3.71 (CO2)2 3.213e-07 3.218e-07 -6.493 -6.492 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.385e-03 1.664e-03 -2.623 -2.779 -0.156 -17.96 - CaHCO3+ 1.153e-04 1.055e-04 -3.938 -3.977 -0.038 9.72 - CaCO3 1.736e-06 1.739e-06 -5.761 -5.760 0.001 -14.60 - CaOH+ 8.084e-10 7.368e-10 -9.092 -9.133 -0.040 (0) +Ca 2.453e-03 + Ca+2 2.416e-03 1.685e-03 -2.617 -2.773 -0.156 -17.96 + CaHCO3+ 3.516e-05 3.219e-05 -4.454 -4.492 -0.038 122.68 + CaCO3 1.746e-06 1.749e-06 -5.758 -5.757 0.001 -14.60 + CaOH+ 8.161e-10 7.438e-10 -9.088 -9.129 -0.040 (0) H(0) 8.711e-10 H2 4.355e-10 4.363e-10 -9.361 -9.360 0.001 28.61 N(-3) 5.536e-04 - NH4+ 5.528e-04 5.018e-04 -3.257 -3.299 -0.042 (0) - NH3 7.617e-07 7.631e-07 -6.118 -6.117 0.001 (0) -N(0) 1.289e-06 - N2 6.444e-07 6.456e-07 -6.191 -6.190 0.001 29.29 + NH4+ 5.529e-04 5.018e-04 -3.257 -3.299 -0.042 (0) + NH3 7.592e-07 7.606e-07 -6.120 -6.119 0.001 (0) +N(0) 1.280e-06 + N2 6.402e-07 6.413e-07 -6.194 -6.193 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -62.282 -62.324 -0.041 25.02 + NO2- 0.000e+00 0.000e+00 -62.285 -62.327 -0.042 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -84.642 -84.684 -0.041 29.54 + NO3- 0.000e+00 0.000e+00 -84.645 -84.687 -0.042 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.661 -73.660 0.001 30.40 @@ -803,13 +803,13 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.65 -8.99 -8.34 CaCO3 - Calcite -0.51 -8.99 -8.48 CaCO3 + Aragonite -0.65 -8.98 -8.34 CaCO3 + Calcite -0.50 -8.98 -8.48 CaCO3 CH4(g) -0.03 -2.83 -2.80 CH4 Pressure 0.9 atm, phi 0.998 CO2(g) -0.91 -2.38 -1.47 CO2 Pressure 0.1 atm, phi 0.994 H2(g) -6.26 -9.36 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.995 - N2(g) -3.01 -6.19 -3.18 N2 Pressure 0.0 atm, phi 1.000 + N2(g) -3.02 -6.19 -3.18 N2 Pressure 0.0 atm, phi 1.000 NH3(g) -7.89 -6.12 1.77 NH3 O2(g) -70.77 -73.66 -2.89 O2 @@ -852,70 +852,70 @@ Component log P P phi Initial Final Delta CH4(g) -0.06 8.731e-01 0.998 0.000e+00 6.645e-03 6.645e-03 CO2(g) -0.72 1.927e-01 0.994 0.000e+00 1.466e-03 1.466e-03 H2O(g) -1.50 3.159e-02 0.994 0.000e+00 2.404e-04 2.404e-04 -N2(g) -2.58 2.647e-03 1.000 0.000e+00 2.014e-05 2.014e-05 +N2(g) -2.58 2.636e-03 1.000 0.000e+00 2.006e-05 2.006e-05 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 1.396e-02 1.396e-02 - Ca 2.502e-03 2.502e-03 + C 1.386e-02 1.386e-02 + Ca 2.453e-03 2.453e-03 N 1.080e-03 1.080e-03 ----------------------------Description of solution---------------------------- pH = 6.272 Charge balance - pe = -3.139 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 498 - Density (g/cm³) = 0.99747 + pe = -3.138 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 499 + Density (g/cm³) = 0.99746 Volume (L) = 1.00327 - Viscosity (mPa s) = 0.89343 + Viscosity (mPa s) = 0.89344 Activity of water = 1.000 - Ionic strength (mol/kgw) = 8.329e-03 + Ionic strength (mol/kgw) = 8.355e-03 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 6.080e-03 - Total CO2 (mol/kg) = 1.259e-02 + Total alkalinity (eq/kg) = 5.982e-03 + Total CO2 (mol/kg) = 1.249e-02 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 22 Total H = 1.110207e+02 - Total O = 5.553368e+01 + Total O = 5.553344e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 5.811e-07 5.340e-07 -6.236 -6.272 -0.037 0.00 - OH- 2.088e-08 1.895e-08 -7.680 -7.722 -0.042 -4.04 + H+ 5.823e-07 5.351e-07 -6.235 -6.272 -0.037 0.00 + OH- 2.084e-08 1.891e-08 -7.681 -7.723 -0.042 -4.04 H2O 5.551e+01 9.997e-01 1.744 -0.000 0.000 18.07 C(-4) 1.372e-03 CH4 1.372e-03 1.374e-03 -2.863 -2.862 0.001 35.46 -C(4) 1.259e-02 +C(4) 1.249e-02 CO2 6.509e-03 6.517e-03 -2.187 -2.186 0.001 34.43 - HCO3- 5.951e-03 5.427e-03 -2.225 -2.265 -0.040 24.64 - CaHCO3+ 1.245e-04 1.137e-04 -3.905 -3.944 -0.039 9.72 - CaCO3 1.312e-06 1.314e-06 -5.882 -5.881 0.001 -14.60 + HCO3- 5.940e-03 5.416e-03 -2.226 -2.266 -0.040 24.64 + CaHCO3+ 3.812e-05 3.480e-05 -4.419 -4.458 -0.040 122.68 + CaCO3 1.327e-06 1.329e-06 -5.877 -5.876 0.001 -14.60 (CO2)2 7.781e-07 7.796e-07 -6.109 -6.108 0.001 68.87 - CO3-2 6.893e-07 4.766e-07 -6.162 -6.322 -0.160 -3.70 -Ca 2.502e-03 - Ca+2 2.376e-03 1.642e-03 -2.624 -2.785 -0.161 -17.95 - CaHCO3+ 1.245e-04 1.137e-04 -3.905 -3.944 -0.039 9.72 - CaCO3 1.312e-06 1.314e-06 -5.882 -5.881 0.001 -14.60 - CaOH+ 5.610e-10 5.100e-10 -9.251 -9.292 -0.041 (0) + CO3-2 6.869e-07 4.747e-07 -6.163 -6.324 -0.160 -3.70 +Ca 2.453e-03 + Ca+2 2.414e-03 1.667e-03 -2.617 -2.778 -0.161 -17.95 + CaHCO3+ 3.812e-05 3.480e-05 -4.419 -4.458 -0.040 122.68 + CaCO3 1.327e-06 1.329e-06 -5.877 -5.876 0.001 -14.60 + CaOH+ 5.685e-10 5.168e-10 -9.245 -9.287 -0.041 (0) H(0) 7.648e-10 H2 3.824e-10 3.831e-10 -9.417 -9.417 0.001 28.61 N(-3) 1.076e-03 - NH4+ 1.075e-03 9.732e-04 -2.969 -3.012 -0.043 (0) - NH3 1.036e-06 1.038e-06 -5.984 -5.984 0.001 (0) -N(0) 3.525e-06 - N2 1.763e-06 1.766e-06 -5.754 -5.753 0.001 29.29 + NH4+ 1.075e-03 9.732e-04 -2.968 -3.012 -0.043 (0) + NH3 1.034e-06 1.036e-06 -5.985 -5.984 0.001 (0) +N(0) 3.511e-06 + N2 1.756e-06 1.759e-06 -5.756 -5.755 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -62.132 -62.174 -0.043 25.02 + NO2- 0.000e+00 0.000e+00 -62.133 -62.176 -0.043 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -84.435 -84.478 -0.043 29.55 + NO3- 0.000e+00 0.000e+00 -84.437 -84.480 -0.043 29.55 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.548 -73.547 0.001 30.40 @@ -923,8 +923,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.77 -9.11 -8.34 CaCO3 - Calcite -0.63 -9.11 -8.48 CaCO3 + Aragonite -0.77 -9.10 -8.34 CaCO3 + Calcite -0.62 -9.10 -8.48 CaCO3 CH4(g) -0.06 -2.86 -2.80 CH4 Pressure 0.9 atm, phi 0.998 CO2(g) -0.72 -2.19 -1.47 CO2 Pressure 0.2 atm, phi 0.994 H2(g) -6.32 -9.42 -3.10 H2 @@ -972,70 +972,70 @@ Component log P P phi Initial Final Delta CH4(g) -0.11 7.773e-01 0.998 0.000e+00 1.489e-02 1.489e-02 CO2(g) -0.55 2.836e-01 0.994 0.000e+00 5.433e-03 5.433e-03 H2O(g) -1.50 3.161e-02 0.994 0.000e+00 6.054e-04 6.054e-04 -N2(g) -2.13 7.474e-03 1.000 0.000e+00 1.432e-04 1.432e-04 +N2(g) -2.13 7.467e-03 1.000 0.000e+00 1.430e-04 1.430e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 1.775e-02 1.775e-02 - Ca 2.502e-03 2.502e-03 + C 1.765e-02 1.765e-02 + Ca 2.453e-03 2.453e-03 N 1.954e-03 1.954e-03 ----------------------------Description of solution---------------------------- pH = 6.161 Charge balance pe = -3.000 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 530 - Density (g/cm³) = 0.99755 - Volume (L) = 1.00337 - Viscosity (mPa s) = 0.89375 + Specific Conductance (µS/cm, 25°C) = 532 + Density (g/cm³) = 0.99754 + Volume (L) = 1.00338 + Viscosity (mPa s) = 0.89377 Activity of water = 1.000 - Ionic strength (mol/kgw) = 9.168e-03 + Ionic strength (mol/kgw) = 9.214e-03 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 6.948e-03 - Total CO2 (mol/kg) = 1.653e-02 + Total alkalinity (eq/kg) = 6.850e-03 + Total CO2 (mol/kg) = 1.643e-02 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 22 Total H = 1.110224e+02 - Total O = 5.554139e+01 + Total O = 5.554114e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 7.533e-07 6.901e-07 -6.123 -6.161 -0.038 0.00 - OH- 1.623e-08 1.466e-08 -7.790 -7.834 -0.044 -4.04 + H+ 7.537e-07 6.903e-07 -6.123 -6.161 -0.038 0.00 + OH- 1.622e-08 1.466e-08 -7.790 -7.834 -0.044 -4.04 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07 C(-4) 1.221e-03 CH4 1.221e-03 1.224e-03 -2.913 -2.912 0.001 35.46 -C(4) 1.653e-02 +C(4) 1.643e-02 CO2 9.579e-03 9.592e-03 -2.019 -2.018 0.001 34.43 - HCO3- 6.804e-03 6.181e-03 -2.167 -2.209 -0.042 24.64 - CaHCO3+ 1.393e-04 1.267e-04 -3.856 -3.897 -0.041 9.72 + HCO3- 6.803e-03 6.178e-03 -2.167 -2.209 -0.042 24.64 + CaHCO3+ 4.289e-05 3.901e-05 -4.368 -4.409 -0.041 122.69 (CO2)2 1.685e-06 1.689e-06 -5.773 -5.772 0.001 68.87 - CaCO3 1.131e-06 1.134e-06 -5.946 -5.946 0.001 -14.60 - CO3-2 6.170e-07 4.201e-07 -6.210 -6.377 -0.167 -3.68 -Ca 2.502e-03 - Ca+2 2.361e-03 1.607e-03 -2.627 -2.794 -0.167 -17.94 - CaHCO3+ 1.393e-04 1.267e-04 -3.856 -3.897 -0.041 9.72 - CaCO3 1.131e-06 1.134e-06 -5.946 -5.946 0.001 -14.60 - CaOH+ 4.266e-10 3.862e-10 -9.370 -9.413 -0.043 (0) + CaCO3 1.152e-06 1.155e-06 -5.938 -5.938 0.001 -14.60 + CO3-2 6.171e-07 4.198e-07 -6.210 -6.377 -0.167 -3.68 +Ca 2.453e-03 + Ca+2 2.409e-03 1.638e-03 -2.618 -2.786 -0.168 -17.94 + CaHCO3+ 4.289e-05 3.901e-05 -4.368 -4.409 -0.041 122.69 + CaCO3 1.152e-06 1.155e-06 -5.938 -5.938 0.001 -14.60 + CaOH+ 4.347e-10 3.935e-10 -9.362 -9.405 -0.043 (0) H(0) 6.743e-10 H2 3.372e-10 3.379e-10 -9.472 -9.471 0.001 28.61 N(-3) 1.944e-03 - NH4+ 1.942e-03 1.750e-03 -2.712 -2.757 -0.045 (0) + NH4+ 1.943e-03 1.750e-03 -2.712 -2.757 -0.045 (0) NH3 1.442e-06 1.445e-06 -5.841 -5.840 0.001 (0) -N(0) 9.954e-06 - N2 4.977e-06 4.988e-06 -5.303 -5.302 0.001 29.29 +N(0) 9.945e-06 + N2 4.972e-06 4.983e-06 -5.303 -5.303 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.934 -61.978 -0.045 25.03 + NO2- 0.000e+00 0.000e+00 -61.934 -61.979 -0.045 25.03 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -84.183 -84.227 -0.045 29.55 + NO3- 0.000e+00 0.000e+00 -84.183 -84.228 -0.045 29.55 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.439 -73.438 0.001 30.40 @@ -1043,8 +1043,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.83 -9.17 -8.34 CaCO3 - Calcite -0.69 -9.17 -8.48 CaCO3 + Aragonite -0.83 -9.16 -8.34 CaCO3 + Calcite -0.68 -9.16 -8.48 CaCO3 CH4(g) -0.11 -2.91 -2.80 CH4 Pressure 0.8 atm, phi 0.998 CO2(g) -0.55 -2.02 -1.47 CO2 Pressure 0.3 atm, phi 0.994 H2(g) -6.37 -9.47 -3.10 H2 @@ -1092,70 +1092,70 @@ Component log P P phi Initial Final Delta CH4(g) -0.17 6.819e-01 0.998 0.000e+00 3.152e-02 3.152e-02 CO2(g) -0.43 3.697e-01 0.994 0.000e+00 1.709e-02 1.709e-02 H2O(g) -1.50 3.162e-02 0.993 0.000e+00 1.462e-03 1.462e-03 -N2(g) -1.77 1.682e-02 1.000 0.000e+00 7.776e-04 7.776e-04 +N2(g) -1.77 1.683e-02 1.000 0.000e+00 7.780e-04 7.780e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 2.146e-02 2.146e-02 - Ca 2.502e-03 2.502e-03 - N 2.925e-03 2.925e-03 + C 2.137e-02 2.136e-02 + Ca 2.453e-03 2.453e-03 + N 2.924e-03 2.924e-03 ----------------------------Description of solution---------------------------- pH = 6.101 Charge balance pe = -2.919 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 566 - Density (g/cm³) = 0.99763 + Specific Conductance (µS/cm, 25°C) = 568 + Density (g/cm³) = 0.99762 Volume (L) = 1.00348 - Viscosity (mPa s) = 0.89411 + Viscosity (mPa s) = 0.89414 Activity of water = 1.000 - Ionic strength (mol/kgw) = 1.009e-02 + Ionic strength (mol/kgw) = 1.016e-02 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 7.907e-03 - Total CO2 (mol/kg) = 2.039e-02 + Total alkalinity (eq/kg) = 7.808e-03 + Total CO2 (mol/kg) = 2.029e-02 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.110249e+02 - Total O = 5.554922e+01 + Total O = 5.554898e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 8.686e-07 7.931e-07 -6.061 -6.101 -0.040 0.00 - OH- 1.418e-08 1.276e-08 -7.848 -7.894 -0.046 -4.03 + H+ 8.681e-07 7.925e-07 -6.061 -6.101 -0.040 0.00 + OH- 1.420e-08 1.277e-08 -7.848 -7.894 -0.046 -4.03 H2O 5.551e+01 9.995e-01 1.744 -0.000 0.000 18.07 C(-4) 1.071e-03 CH4 1.071e-03 1.073e-03 -2.970 -2.969 0.001 35.46 -C(4) 2.039e-02 +C(4) 2.029e-02 CO2 1.248e-02 1.250e-02 -1.904 -1.903 0.001 34.43 - HCO3- 7.747e-03 7.009e-03 -2.111 -2.154 -0.043 24.65 - CaHCO3+ 1.550e-04 1.404e-04 -3.810 -3.853 -0.043 9.72 + HCO3- 7.756e-03 7.015e-03 -2.110 -2.154 -0.044 24.65 + CaHCO3+ 4.799e-05 4.348e-05 -4.319 -4.362 -0.043 122.69 (CO2)2 2.862e-06 2.869e-06 -5.543 -5.542 0.001 68.87 - CaCO3 1.091e-06 1.093e-06 -5.962 -5.961 0.001 -14.60 - CO3-2 6.187e-07 4.145e-07 -6.209 -6.382 -0.174 -3.66 -Ca 2.502e-03 - Ca+2 2.346e-03 1.570e-03 -2.630 -2.804 -0.174 -17.93 - CaHCO3+ 1.550e-04 1.404e-04 -3.810 -3.853 -0.043 9.72 - CaCO3 1.091e-06 1.093e-06 -5.962 -5.961 0.001 -14.60 - CaOH+ 3.643e-10 3.285e-10 -9.438 -9.484 -0.045 (0) + CaCO3 1.119e-06 1.121e-06 -5.951 -5.950 0.001 -14.60 + CO3-2 6.204e-07 4.152e-07 -6.207 -6.382 -0.174 -3.66 +Ca 2.453e-03 + Ca+2 2.404e-03 1.608e-03 -2.619 -2.794 -0.175 -17.92 + CaHCO3+ 4.799e-05 4.348e-05 -4.319 -4.362 -0.043 122.69 + CaCO3 1.119e-06 1.121e-06 -5.951 -5.950 0.001 -14.60 + CaOH+ 3.734e-10 3.365e-10 -9.428 -9.473 -0.045 (0) H(0) 6.106e-10 H2 3.053e-10 3.060e-10 -9.515 -9.514 0.001 28.61 -N(-3) 2.903e-03 - NH4+ 2.901e-03 2.601e-03 -2.537 -2.585 -0.047 (0) - NH3 1.865e-06 1.869e-06 -5.729 -5.728 0.001 (0) -N(0) 2.240e-05 - N2 1.120e-05 1.123e-05 -4.951 -4.950 0.001 29.29 +N(-3) 2.902e-03 + NH4+ 2.900e-03 2.600e-03 -2.538 -2.585 -0.047 (0) + NH3 1.865e-06 1.870e-06 -5.729 -5.728 0.001 (0) +N(0) 2.241e-05 + N2 1.121e-05 1.123e-05 -4.951 -4.950 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.752 -61.798 -0.047 25.03 + NO2- 0.000e+00 0.000e+00 -61.751 -61.798 -0.047 25.03 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.958 -84.004 -0.047 29.55 + NO3- 0.000e+00 0.000e+00 -83.957 -84.004 -0.047 29.56 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.353 -73.352 0.001 30.40 @@ -1163,8 +1163,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.85 -9.19 -8.34 CaCO3 - Calcite -0.71 -9.19 -8.48 CaCO3 + Aragonite -0.84 -9.18 -8.34 CaCO3 + Calcite -0.70 -9.18 -8.48 CaCO3 CH4(g) -0.17 -2.97 -2.80 CH4 Pressure 0.7 atm, phi 0.998 CO2(g) -0.43 -1.90 -1.47 CO2 Pressure 0.4 atm, phi 0.994 H2(g) -6.41 -9.51 -3.10 H2 @@ -1212,66 +1212,66 @@ Component log P P phi Initial Final Delta CH4(g) -0.21 6.176e-01 0.998 0.000e+00 6.350e-02 6.350e-02 CO2(g) -0.37 4.254e-01 0.994 0.000e+00 4.373e-02 4.373e-02 H2O(g) -1.50 3.163e-02 0.993 0.000e+00 3.252e-03 3.252e-03 -N2(g) -1.60 2.536e-02 1.001 0.000e+00 2.607e-03 2.607e-03 +N2(g) -1.60 2.537e-02 1.001 0.000e+00 2.608e-03 2.608e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 2.384e-02 2.384e-02 - Ca 2.502e-03 2.502e-03 - N 3.536e-03 3.535e-03 + C 2.374e-02 2.374e-02 + Ca 2.453e-03 2.453e-03 + N 3.533e-03 3.533e-03 ----------------------------Description of solution---------------------------- pH = 6.071 Charge balance - pe = -2.875 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 588 - Density (g/cm³) = 0.99768 + pe = -2.876 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 591 + Density (g/cm³) = 0.99767 Volume (L) = 1.00356 - Viscosity (mPa s) = 0.89434 + Viscosity (mPa s) = 0.89437 Activity of water = 0.999 - Ionic strength (mol/kgw) = 1.067e-02 + Ionic strength (mol/kgw) = 1.075e-02 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 8.506e-03 - Total CO2 (mol/kg) = 2.287e-02 + Total alkalinity (eq/kg) = 8.406e-03 + Total CO2 (mol/kg) = 2.277e-02 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 21 Total H = 1.110282e+02 - Total O = 5.555515e+01 + Total O = 5.555490e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 9.328e-07 8.501e-07 -6.030 -6.071 -0.040 0.00 - OH- 1.327e-08 1.190e-08 -7.877 -7.924 -0.047 -4.03 + H+ 9.319e-07 8.490e-07 -6.031 -6.071 -0.040 0.00 + OH- 1.329e-08 1.192e-08 -7.877 -7.924 -0.047 -4.03 H2O 5.551e+01 9.995e-01 1.744 -0.000 0.000 18.07 C(-4) 9.699e-04 CH4 9.699e-04 9.723e-04 -3.013 -3.012 0.001 35.46 -C(4) 2.287e-02 +C(4) 2.277e-02 CO2 1.436e-02 1.439e-02 -1.843 -1.842 0.001 34.43 - HCO3- 8.337e-03 7.524e-03 -2.079 -2.124 -0.045 24.65 - CaHCO3+ 1.645e-04 1.487e-04 -3.784 -3.828 -0.044 9.73 + HCO3- 8.350e-03 7.534e-03 -2.078 -2.123 -0.045 24.65 + CaHCO3+ 5.109e-05 4.618e-05 -4.292 -4.336 -0.044 122.69 (CO2)2 3.789e-06 3.799e-06 -5.421 -5.420 0.001 68.87 - CaCO3 1.078e-06 1.080e-06 -5.967 -5.966 0.001 -14.60 - CO3-2 6.257e-07 4.152e-07 -6.204 -6.382 -0.178 -3.65 -Ca 2.502e-03 - Ca+2 2.336e-03 1.549e-03 -2.631 -2.810 -0.178 -17.92 - CaHCO3+ 1.645e-04 1.487e-04 -3.784 -3.828 -0.044 9.73 - CaCO3 1.078e-06 1.080e-06 -5.967 -5.966 0.001 -14.60 - CaOH+ 3.362e-10 3.023e-10 -9.473 -9.520 -0.046 (0) -H(0) 5.751e-10 + CaCO3 1.109e-06 1.112e-06 -5.955 -5.954 0.001 -14.60 + CO3-2 6.280e-07 4.162e-07 -6.202 -6.381 -0.179 -3.65 +Ca 2.453e-03 + Ca+2 2.401e-03 1.590e-03 -2.620 -2.799 -0.179 -17.92 + CaHCO3+ 5.109e-05 4.618e-05 -4.292 -4.336 -0.044 122.69 + CaCO3 1.109e-06 1.112e-06 -5.955 -5.954 0.001 -14.60 + CaOH+ 3.456e-10 3.106e-10 -9.461 -9.508 -0.046 (0) +H(0) 5.750e-10 H2 2.875e-10 2.882e-10 -9.541 -9.540 0.001 28.61 -N(-3) 3.502e-03 - NH4+ 3.500e-03 3.130e-03 -2.456 -2.505 -0.049 (0) +N(-3) 3.500e-03 + NH4+ 3.498e-03 3.126e-03 -2.456 -2.505 -0.049 (0) NH3 2.093e-06 2.098e-06 -5.679 -5.678 0.001 (0) -N(0) 3.377e-05 - N2 1.689e-05 1.693e-05 -4.772 -4.771 0.001 29.29 +N(0) 3.379e-05 + N2 1.689e-05 1.694e-05 -4.772 -4.771 0.001 29.29 N(3) 0.000e+00 NO2- 0.000e+00 0.000e+00 -61.652 -61.700 -0.048 25.03 N(5) 0.000e+00 @@ -1283,8 +1283,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.86 -9.19 -8.34 CaCO3 - Calcite -0.71 -9.19 -8.48 CaCO3 + Aragonite -0.84 -9.18 -8.34 CaCO3 + Calcite -0.70 -9.18 -8.48 CaCO3 CH4(g) -0.21 -3.01 -2.80 CH4 Pressure 0.6 atm, phi 0.998 CO2(g) -0.37 -1.84 -1.47 CO2 Pressure 0.4 atm, phi 0.994 H2(g) -6.44 -9.54 -3.10 H2 @@ -1332,70 +1332,70 @@ Component log P P phi Initial Final Delta CH4(g) -0.24 5.807e-01 0.998 0.000e+00 1.292e-01 1.292e-01 CO2(g) -0.34 4.570e-01 0.994 0.000e+00 1.017e-01 1.017e-01 H2O(g) -1.50 3.163e-02 0.993 0.000e+00 7.039e-03 7.039e-03 -N2(g) -1.51 3.067e-02 1.001 0.000e+00 6.826e-03 6.826e-03 +N2(g) -1.51 3.068e-02 1.001 0.000e+00 6.827e-03 6.827e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 2.516e-02 2.516e-02 - Ca 2.502e-03 2.502e-03 - N 3.849e-03 3.849e-03 + C 2.506e-02 2.506e-02 + Ca 2.453e-03 2.453e-03 + N 3.846e-03 3.845e-03 ----------------------------Description of solution---------------------------- - pH = 6.054 Charge balance - pe = -2.852 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 599 - Density (g/cm³) = 0.99771 - Volume (L) = 1.00364 - Viscosity (mPa s) = 0.89445 + pH = 6.055 Charge balance + pe = -2.853 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 602 + Density (g/cm³) = 0.99770 + Volume (L) = 1.00365 + Viscosity (mPa s) = 0.89448 Activity of water = 0.999 - Ionic strength (mol/kgw) = 1.097e-02 + Ionic strength (mol/kgw) = 1.105e-02 Mass of water (kg) = 9.999e-01 - Total alkalinity (eq/kg) = 8.812e-03 - Total CO2 (mol/kg) = 2.425e-02 + Total alkalinity (eq/kg) = 8.711e-03 + Total CO2 (mol/kg) = 2.415e-02 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 20 Total H = 1.110340e+02 - Total O = 5.556044e+01 + Total O = 5.556019e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 9.693e-07 8.824e-07 -6.014 -6.054 -0.041 0.00 - OH- 1.280e-08 1.147e-08 -7.893 -7.941 -0.048 -4.03 + H+ 9.682e-07 8.811e-07 -6.014 -6.055 -0.041 0.00 + OH- 1.282e-08 1.148e-08 -7.892 -7.940 -0.048 -4.03 H2O 5.551e+01 9.995e-01 1.744 -0.000 0.000 18.07 C(-4) 9.119e-04 CH4 9.119e-04 9.142e-04 -3.040 -3.039 0.001 35.46 -C(4) 2.425e-02 +C(4) 2.415e-02 CO2 1.543e-02 1.546e-02 -1.812 -1.811 0.001 34.43 - HCO3- 8.638e-03 7.787e-03 -2.064 -2.109 -0.045 24.65 - CaHCO3+ 1.693e-04 1.529e-04 -3.771 -3.816 -0.044 9.73 + HCO3- 8.653e-03 7.798e-03 -2.063 -2.108 -0.045 24.65 + CaHCO3+ 5.266e-05 4.754e-05 -4.279 -4.323 -0.044 122.69 (CO2)2 4.373e-06 4.384e-06 -5.359 -5.358 0.001 68.87 - CaCO3 1.067e-06 1.070e-06 -5.972 -5.971 0.001 -14.60 - CO3-2 6.268e-07 4.139e-07 -6.203 -6.383 -0.180 -3.65 -Ca 2.502e-03 - Ca+2 2.331e-03 1.539e-03 -2.632 -2.813 -0.181 -17.91 - CaHCO3+ 1.693e-04 1.529e-04 -3.771 -3.816 -0.044 9.73 - CaCO3 1.067e-06 1.070e-06 -5.972 -5.971 0.001 -14.60 - CaOH+ 3.220e-10 2.892e-10 -9.492 -9.539 -0.047 (0) + CaCO3 1.100e-06 1.103e-06 -5.959 -5.958 0.001 -14.60 + CO3-2 6.294e-07 4.151e-07 -6.201 -6.382 -0.181 -3.65 +Ca 2.453e-03 + Ca+2 2.399e-03 1.581e-03 -2.620 -2.801 -0.181 -17.91 + CaHCO3+ 5.266e-05 4.754e-05 -4.279 -4.323 -0.044 122.69 + CaCO3 1.100e-06 1.103e-06 -5.959 -5.958 0.001 -14.60 + CaOH+ 3.315e-10 2.977e-10 -9.479 -9.526 -0.047 (0) H(0) 5.562e-10 H2 2.781e-10 2.788e-10 -9.556 -9.555 0.001 28.61 -N(-3) 3.808e-03 - NH4+ 3.806e-03 3.399e-03 -2.420 -2.469 -0.049 (0) - NH3 2.189e-06 2.195e-06 -5.660 -5.659 0.001 (0) -N(0) 4.085e-05 - N2 2.042e-05 2.048e-05 -4.690 -4.689 0.001 29.29 +N(-3) 3.805e-03 + NH4+ 3.803e-03 3.394e-03 -2.420 -2.469 -0.049 (0) + NH3 2.190e-06 2.195e-06 -5.660 -5.659 0.001 (0) +N(0) 4.086e-05 + N2 2.043e-05 2.048e-05 -4.690 -4.689 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.605 -61.653 -0.048 25.04 + NO2- 0.000e+00 0.000e+00 -61.604 -61.653 -0.049 25.04 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.771 -83.819 -0.048 29.56 + NO3- 0.000e+00 0.000e+00 -83.770 -83.818 -0.049 29.56 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.272 -73.271 0.001 30.40 @@ -1403,8 +1403,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.86 -9.20 -8.34 CaCO3 - Calcite -0.72 -9.20 -8.48 CaCO3 + Aragonite -0.85 -9.18 -8.34 CaCO3 + Calcite -0.70 -9.18 -8.48 CaCO3 CH4(g) -0.24 -3.04 -2.80 CH4 Pressure 0.6 atm, phi 0.998 CO2(g) -0.34 -1.81 -1.47 CO2 Pressure 0.5 atm, phi 0.994 H2(g) -6.45 -9.55 -3.10 H2 @@ -1458,64 +1458,64 @@ N2(g) -1.48 3.341e-02 1.001 0.000e+00 1.550e-02 1.550e-02 Elements Molality Moles - C 2.581e-02 2.581e-02 - Ca 2.502e-03 2.502e-03 - N 3.996e-03 3.996e-03 + C 2.571e-02 2.571e-02 + Ca 2.453e-03 2.453e-03 + N 3.992e-03 3.992e-03 ----------------------------Description of solution---------------------------- - pH = 6.046 Charge balance - pe = -2.840 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 605 - Density (g/cm³) = 0.99772 + pH = 6.047 Charge balance + pe = -2.841 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 608 + Density (g/cm³) = 0.99771 Volume (L) = 1.00376 - Viscosity (mPa s) = 0.89450 + Viscosity (mPa s) = 0.89454 Activity of water = 0.999 - Ionic strength (mol/kgw) = 1.111e-02 + Ionic strength (mol/kgw) = 1.119e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.955e-03 - Total CO2 (mol/kg) = 2.493e-02 + Total alkalinity (eq/kg) = 8.853e-03 + Total CO2 (mol/kg) = 2.483e-02 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 + Iterations = 26 Total H = 1.110450e+02 - Total O = 5.556719e+01 + Total O = 5.556694e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 9.882e-07 8.992e-07 -6.005 -6.046 -0.041 0.00 - OH- 1.256e-08 1.125e-08 -7.901 -7.949 -0.048 -4.03 + H+ 9.870e-07 8.978e-07 -6.006 -6.047 -0.041 0.00 + OH- 1.259e-08 1.127e-08 -7.900 -7.948 -0.048 -4.03 H2O 5.551e+01 9.995e-01 1.744 -0.000 0.000 18.07 C(-4) 8.824e-04 - CH4 8.824e-04 8.847e-04 -3.054 -3.053 0.001 35.46 -C(4) 2.493e-02 + CH4 8.824e-04 8.846e-04 -3.054 -3.053 0.001 35.46 +C(4) 2.483e-02 CO2 1.597e-02 1.600e-02 -1.797 -1.796 0.001 34.43 - HCO3- 8.779e-03 7.909e-03 -2.057 -2.102 -0.045 24.65 - CaHCO3+ 1.715e-04 1.548e-04 -3.766 -3.810 -0.045 9.73 + HCO3- 8.795e-03 7.921e-03 -2.056 -2.101 -0.045 24.65 + CaHCO3+ 5.338e-05 4.816e-05 -4.273 -4.317 -0.045 122.69 (CO2)2 4.685e-06 4.697e-06 -5.329 -5.328 0.001 68.87 - CaCO3 1.060e-06 1.063e-06 -5.975 -5.974 0.001 -14.60 - CO3-2 6.261e-07 4.125e-07 -6.203 -6.385 -0.181 -3.65 -Ca 2.502e-03 - Ca+2 2.329e-03 1.534e-03 -2.633 -2.814 -0.181 -17.91 - CaHCO3+ 1.715e-04 1.548e-04 -3.766 -3.810 -0.045 9.73 - CaCO3 1.060e-06 1.063e-06 -5.975 -5.974 0.001 -14.60 - CaOH+ 3.152e-10 2.829e-10 -9.501 -9.548 -0.047 (0) + CaCO3 1.093e-06 1.096e-06 -5.961 -5.960 0.001 -14.60 + CO3-2 6.288e-07 4.138e-07 -6.201 -6.383 -0.182 -3.64 +Ca 2.453e-03 + Ca+2 2.398e-03 1.577e-03 -2.620 -2.802 -0.182 -17.91 + CaHCO3+ 5.338e-05 4.816e-05 -4.273 -4.317 -0.045 122.69 + CaCO3 1.093e-06 1.096e-06 -5.961 -5.960 0.001 -14.60 + CaOH+ 3.247e-10 2.913e-10 -9.489 -9.536 -0.047 (0) H(0) 5.469e-10 H2 2.734e-10 2.741e-10 -9.563 -9.562 0.001 28.61 -N(-3) 3.952e-03 - NH4+ 3.949e-03 3.524e-03 -2.403 -2.453 -0.049 (0) - NH3 2.228e-06 2.233e-06 -5.652 -5.651 0.001 (0) +N(-3) 3.947e-03 + NH4+ 3.945e-03 3.519e-03 -2.404 -2.454 -0.050 (0) + NH3 2.228e-06 2.234e-06 -5.652 -5.651 0.001 (0) N(0) 4.449e-05 - N2 2.224e-05 2.230e-05 -4.653 -4.652 0.001 29.29 + N2 2.225e-05 2.230e-05 -4.653 -4.652 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.583 -61.632 -0.049 25.04 + NO2- 0.000e+00 0.000e+00 -61.583 -61.631 -0.049 25.04 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.742 -83.790 -0.049 29.56 + NO3- 0.000e+00 0.000e+00 -83.741 -83.790 -0.049 29.56 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.258 -73.256 0.001 30.40 @@ -1523,8 +1523,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.86 -9.20 -8.34 CaCO3 - Calcite -0.72 -9.20 -8.48 CaCO3 + Aragonite -0.85 -9.19 -8.34 CaCO3 + Calcite -0.71 -9.19 -8.48 CaCO3 CH4(g) -0.25 -3.05 -2.80 CH4 Pressure 0.6 atm, phi 0.998 CO2(g) -0.33 -1.80 -1.47 CO2 Pressure 0.5 atm, phi 0.994 H2(g) -6.46 -9.56 -3.10 H2 @@ -1578,64 +1578,64 @@ N2(g) -1.46 3.477e-02 1.001 0.000e+00 3.297e-02 3.297e-02 Elements Molality Moles - C 2.614e-02 2.614e-02 - Ca 2.501e-03 2.502e-03 - N 4.066e-03 4.067e-03 + C 2.603e-02 2.604e-02 + Ca 2.452e-03 2.453e-03 + N 4.062e-03 4.063e-03 ----------------------------Description of solution---------------------------- - pH = 6.042 Charge balance - pe = -2.834 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 607 - Density (g/cm³) = 0.99773 - Volume (L) = 1.00396 - Viscosity (mPa s) = 0.89453 + pH = 6.043 Charge balance + pe = -2.835 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 610 + Density (g/cm³) = 0.99772 + Volume (L) = 1.00397 + Viscosity (mPa s) = 0.89456 Activity of water = 0.999 - Ionic strength (mol/kgw) = 1.117e-02 + Ionic strength (mol/kgw) = 1.126e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 9.022e-03 - Total CO2 (mol/kg) = 2.527e-02 + Total alkalinity (eq/kg) = 8.920e-03 + Total CO2 (mol/kg) = 2.517e-02 Temperature (°C) = 25.00 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 24 Total H = 1.110669e+02 - Total O = 5.557876e+01 + Total O = 5.557851e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 9.978e-07 9.078e-07 -6.001 -6.042 -0.041 0.00 - OH- 1.245e-08 1.114e-08 -7.905 -7.953 -0.048 -4.03 + H+ 9.966e-07 9.064e-07 -6.001 -6.043 -0.041 0.00 + OH- 1.247e-08 1.116e-08 -7.904 -7.952 -0.048 -4.03 H2O 5.551e+01 9.994e-01 1.744 -0.000 0.000 18.07 -C(-4) 8.677e-04 - CH4 8.677e-04 8.699e-04 -3.062 -3.061 0.001 35.46 -C(4) 2.527e-02 +C(-4) 8.676e-04 + CH4 8.676e-04 8.699e-04 -3.062 -3.061 0.001 35.46 +C(4) 2.517e-02 CO2 1.624e-02 1.627e-02 -1.789 -1.789 0.001 34.43 - HCO3- 8.845e-03 7.967e-03 -2.053 -2.099 -0.045 24.65 - CaHCO3+ 1.725e-04 1.556e-04 -3.763 -3.808 -0.045 9.73 + HCO3- 8.862e-03 7.979e-03 -2.052 -2.098 -0.046 24.65 + CaHCO3+ 5.371e-05 4.845e-05 -4.270 -4.315 -0.045 122.69 (CO2)2 4.845e-06 4.858e-06 -5.315 -5.314 0.001 68.87 - CaCO3 1.056e-06 1.059e-06 -5.976 -5.975 0.001 -14.60 - CO3-2 6.254e-07 4.116e-07 -6.204 -6.385 -0.182 -3.64 -Ca 2.501e-03 - Ca+2 2.328e-03 1.531e-03 -2.633 -2.815 -0.182 -17.91 - CaHCO3+ 1.725e-04 1.556e-04 -3.763 -3.808 -0.045 9.73 - CaCO3 1.056e-06 1.059e-06 -5.976 -5.975 0.001 -14.60 - CaOH+ 3.118e-10 2.797e-10 -9.506 -9.553 -0.047 (0) + CaCO3 1.090e-06 1.092e-06 -5.963 -5.962 0.001 -14.60 + CO3-2 6.281e-07 4.129e-07 -6.202 -6.384 -0.182 -3.64 +Ca 2.452e-03 + Ca+2 2.397e-03 1.575e-03 -2.620 -2.803 -0.183 -17.91 + CaHCO3+ 5.371e-05 4.845e-05 -4.270 -4.315 -0.045 122.69 + CaCO3 1.090e-06 1.092e-06 -5.963 -5.962 0.001 -14.60 + CaOH+ 3.213e-10 2.882e-10 -9.493 -9.540 -0.047 (0) H(0) 5.423e-10 H2 2.711e-10 2.718e-10 -9.567 -9.566 0.001 28.61 -N(-3) 4.020e-03 - NH4+ 4.018e-03 3.584e-03 -2.396 -2.446 -0.050 (0) +N(-3) 4.016e-03 + NH4+ 4.014e-03 3.579e-03 -2.396 -2.446 -0.050 (0) NH3 2.244e-06 2.250e-06 -5.649 -5.648 0.001 (0) -N(0) 4.630e-05 +N(0) 4.631e-05 N2 2.315e-05 2.321e-05 -4.635 -4.634 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.573 -61.622 -0.049 25.04 + NO2- 0.000e+00 0.000e+00 -61.572 -61.621 -0.049 25.04 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.728 -83.777 -0.049 29.56 + NO3- 0.000e+00 0.000e+00 -83.727 -83.776 -0.049 29.56 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.250 -73.249 0.001 30.40 @@ -1643,8 +1643,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.86 -9.20 -8.34 CaCO3 - Calcite -0.72 -9.20 -8.48 CaCO3 + Aragonite -0.85 -9.19 -8.34 CaCO3 + Calcite -0.71 -9.19 -8.48 CaCO3 CH4(g) -0.26 -3.06 -2.80 CH4 Pressure 0.6 atm, phi 0.998 CO2(g) -0.32 -1.79 -1.47 CO2 Pressure 0.5 atm, phi 0.994 H2(g) -6.46 -9.57 -3.10 H2 @@ -1709,7 +1709,7 @@ Total pressure: 0.06 atmospheres ---------------------------------- Component log P P Initial Final Delta -CH4(g) -21.55 2.803e-22 2.657e-22 2.657e-22 0.000e+00 +CH4(g) -21.55 2.810e-22 2.664e-22 2.664e-22 0.000e+00 CO2(g) -1.50 3.162e-02 2.997e-02 2.997e-02 0.000e+00 H2O(g) -1.50 3.141e-02 2.977e-02 2.977e-02 0.000e+00 N2(g) -99.99 0.000e+00 0.000e+00 0.000e+00 0.000e+00 @@ -1755,73 +1755,73 @@ Total pressure: 0.06 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -3.26 5.527e-04 1.000 2.657e-22 5.242e-04 5.242e-04 -CO2(g) -1.49 3.208e-02 1.000 2.997e-02 3.042e-02 4.563e-04 +CH4(g) -3.26 5.527e-04 1.000 2.664e-22 5.242e-04 5.242e-04 +CO2(g) -1.49 3.208e-02 1.000 2.997e-02 3.042e-02 4.562e-04 H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.337e-05 -N2(g) -4.45 3.524e-05 1.000 0.000e+00 3.342e-05 3.342e-05 +N2(g) -4.45 3.523e-05 1.000 0.000e+00 3.341e-05 3.341e-05 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 6.089e-03 6.089e-03 - Ca 2.502e-03 2.502e-03 - N 3.156e-06 3.156e-06 + C 5.992e-03 5.992e-03 + Ca 2.453e-03 2.453e-03 + N 3.171e-06 3.171e-06 ----------------------------Description of solution---------------------------- - pH = 6.965 Charge balance - pe = -3.529 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 458 - Density (g/cm³) = 0.99734 + pH = 6.963 Charge balance + pe = -3.527 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 457 + Density (g/cm³) = 0.99733 Volume (L) = 1.00308 - Viscosity (mPa s) = 0.89303 + Viscosity (mPa s) = 0.89304 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.285e-03 + Ionic strength (mol/kgw) = 7.284e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.007e-03 - Total CO2 (mol/kg) = 6.089e-03 + Total alkalinity (eq/kg) = 4.909e-03 + Total CO2 (mol/kg) = 5.991e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.06 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 25 Total H = 1.110125e+02 - Total O = 5.552090e+01 + Total O = 5.552066e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.174e-07 1.084e-07 -6.930 -6.965 -0.035 0.00 - OH- 1.023e-07 9.337e-08 -6.990 -7.030 -0.040 -4.05 + H+ 1.180e-07 1.089e-07 -6.928 -6.963 -0.035 0.00 + OH- 1.018e-07 9.291e-08 -6.992 -7.032 -0.040 -4.05 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 C(-4) 8.710e-07 CH4 8.710e-07 8.724e-07 -6.060 -6.059 0.001 35.45 -C(4) 6.089e-03 - HCO3- 4.885e-03 4.478e-03 -2.311 -2.349 -0.038 24.63 +C(4) 5.991e-03 + HCO3- 4.861e-03 4.455e-03 -2.313 -2.351 -0.038 24.63 CO2 1.090e-03 1.091e-03 -2.963 -2.962 0.000 34.43 - CaHCO3+ 1.050e-04 9.638e-05 -3.979 -4.016 -0.037 9.71 + CaHCO3+ 3.191e-05 2.929e-05 -4.496 -4.533 -0.037 122.68 CaCO3 5.482e-06 5.491e-06 -5.261 -5.260 0.001 -14.61 - CO3-2 2.745e-06 1.938e-06 -5.562 -5.713 -0.151 -3.73 + CO3-2 2.717e-06 1.918e-06 -5.566 -5.717 -0.151 -3.73 (CO2)2 2.182e-08 2.186e-08 -7.661 -7.660 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.687e-03 -2.621 -2.773 -0.152 -17.98 - CaHCO3+ 1.050e-04 9.638e-05 -3.979 -4.016 -0.037 9.71 +Ca 2.453e-03 + Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98 + CaHCO3+ 3.191e-05 2.929e-05 -4.496 -4.533 -0.037 122.68 CaCO3 5.482e-06 5.491e-06 -5.261 -5.260 0.001 -14.61 - CaOH+ 2.825e-09 2.583e-09 -8.549 -8.588 -0.039 (0) + CaOH+ 2.840e-09 2.596e-09 -8.547 -8.586 -0.039 (0) H(0) 1.898e-10 H2 9.492e-11 9.508e-11 -10.023 -10.022 0.001 28.61 -N(-3) 3.109e-06 - NH4+ 3.094e-06 2.817e-06 -5.509 -5.550 -0.041 (0) +N(-3) 3.124e-06 + NH4+ 3.109e-06 2.831e-06 -5.507 -5.548 -0.041 (0) NH3 1.479e-08 1.481e-08 -7.830 -7.829 0.001 (0) -N(0) 4.697e-08 +N(0) 4.695e-08 N2 2.348e-08 2.352e-08 -7.629 -7.629 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.471 -61.511 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -61.474 -61.514 -0.040 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.169 -83.210 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -83.172 -83.212 -0.040 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.337 -72.336 0.001 30.40 @@ -1875,73 +1875,73 @@ Total pressure: 0.07 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -2.96 1.106e-03 1.000 2.657e-22 1.049e-03 1.049e-03 +CH4(g) -2.96 1.106e-03 1.000 2.664e-22 1.049e-03 1.049e-03 CO2(g) -1.49 3.256e-02 1.000 2.997e-02 3.088e-02 9.119e-04 H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.366e-05 -N2(g) -4.15 7.072e-05 1.000 0.000e+00 6.707e-05 6.707e-05 +N2(g) -4.15 7.071e-05 1.000 0.000e+00 6.706e-05 6.706e-05 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 6.109e-03 6.109e-03 - Ca 2.502e-03 2.502e-03 - N 5.856e-06 5.855e-06 + C 6.012e-03 6.012e-03 + Ca 2.453e-03 2.453e-03 + N 5.884e-06 5.883e-06 ----------------------------Description of solution---------------------------- - pH = 6.959 Charge balance - pe = -3.560 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 458 - Density (g/cm³) = 0.99734 + pH = 6.957 Charge balance + pe = -3.558 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 457 + Density (g/cm³) = 0.99733 Volume (L) = 1.00308 Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.287e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.009e-03 - Total CO2 (mol/kg) = 6.108e-03 + Total alkalinity (eq/kg) = 4.912e-03 + Total CO2 (mol/kg) = 6.010e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.07 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 + Iterations = 25 Total H = 1.110126e+02 - Total O = 5.552099e+01 + Total O = 5.552075e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.191e-07 1.099e-07 -6.924 -6.959 -0.035 0.00 - OH- 1.008e-07 9.205e-08 -6.996 -7.036 -0.040 -4.05 + H+ 1.197e-07 1.105e-07 -6.922 -6.957 -0.035 0.00 + OH- 1.003e-07 9.159e-08 -6.999 -7.038 -0.040 -4.05 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 C(-4) 1.742e-06 CH4 1.742e-06 1.745e-06 -5.759 -5.758 0.001 35.45 -C(4) 6.108e-03 - HCO3- 4.888e-03 4.480e-03 -2.311 -2.349 -0.038 24.63 +C(4) 6.010e-03 + HCO3- 4.864e-03 4.458e-03 -2.313 -2.351 -0.038 24.63 CO2 1.106e-03 1.108e-03 -2.956 -2.956 0.000 34.43 - CaHCO3+ 1.051e-04 9.643e-05 -3.979 -4.016 -0.037 9.71 + CaHCO3+ 3.193e-05 2.930e-05 -4.496 -4.533 -0.037 122.68 CaCO3 5.407e-06 5.416e-06 -5.267 -5.266 0.001 -14.61 - CO3-2 2.707e-06 1.911e-06 -5.567 -5.719 -0.151 -3.73 + CO3-2 2.680e-06 1.892e-06 -5.572 -5.723 -0.151 -3.73 (CO2)2 2.248e-08 2.252e-08 -7.648 -7.647 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.687e-03 -2.621 -2.773 -0.152 -17.98 - CaHCO3+ 1.051e-04 9.643e-05 -3.979 -4.016 -0.037 9.71 +Ca 2.453e-03 + Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98 + CaHCO3+ 3.193e-05 2.930e-05 -4.496 -4.533 -0.037 122.68 CaCO3 5.407e-06 5.416e-06 -5.267 -5.266 0.001 -14.61 - CaOH+ 2.785e-09 2.546e-09 -8.555 -8.594 -0.039 (0) + CaOH+ 2.799e-09 2.559e-09 -8.553 -8.592 -0.039 (0) H(0) 2.249e-10 H2 1.125e-10 1.127e-10 -9.949 -9.948 0.001 28.61 -N(-3) 5.761e-06 - NH4+ 5.734e-06 5.221e-06 -5.242 -5.282 -0.041 (0) +N(-3) 5.790e-06 + NH4+ 5.762e-06 5.247e-06 -5.239 -5.280 -0.041 (0) NH3 2.702e-08 2.706e-08 -7.568 -7.568 0.001 (0) -N(0) 9.425e-08 - N2 4.713e-08 4.720e-08 -7.327 -7.326 0.001 29.29 +N(0) 9.423e-08 + N2 4.712e-08 4.719e-08 -7.327 -7.326 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.437 -61.477 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -61.439 -61.479 -0.040 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.209 -83.249 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -83.211 -83.251 -0.040 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.484 -72.484 0.001 30.40 @@ -1995,73 +1995,73 @@ Total pressure: 0.07 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -2.78 1.659e-03 1.000 2.657e-22 1.573e-03 1.573e-03 +CH4(g) -2.78 1.659e-03 1.000 2.664e-22 1.573e-03 1.573e-03 CO2(g) -1.48 3.304e-02 1.000 2.997e-02 3.134e-02 1.368e-03 H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.396e-05 -N2(g) -3.97 1.063e-04 1.000 0.000e+00 1.008e-04 1.008e-04 +N2(g) -3.97 1.062e-04 1.000 0.000e+00 1.008e-04 1.008e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 6.129e-03 6.129e-03 - Ca 2.502e-03 2.502e-03 - N 8.435e-06 8.434e-06 + C 6.032e-03 6.031e-03 + Ca 2.453e-03 2.453e-03 + N 8.475e-06 8.475e-06 ----------------------------Description of solution---------------------------- - pH = 6.953 Charge balance - pe = -3.575 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 459 - Density (g/cm³) = 0.99734 + pH = 6.951 Charge balance + pe = -3.573 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 457 + Density (g/cm³) = 0.99733 Volume (L) = 1.00308 Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.290e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.012e-03 - Total CO2 (mol/kg) = 6.127e-03 + Total alkalinity (eq/kg) = 4.914e-03 + Total CO2 (mol/kg) = 6.029e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.07 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 28 Total H = 1.110127e+02 - Total O = 5.552108e+01 + Total O = 5.552083e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.208e-07 1.115e-07 -6.918 -6.953 -0.035 0.00 - OH- 9.944e-08 9.076e-08 -7.002 -7.042 -0.040 -4.05 + H+ 1.214e-07 1.121e-07 -6.916 -6.951 -0.035 0.00 + OH- 9.894e-08 9.031e-08 -7.005 -7.044 -0.040 -4.05 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 C(-4) 2.613e-06 CH4 2.613e-06 2.618e-06 -5.583 -5.582 0.001 35.45 -C(4) 6.127e-03 - HCO3- 4.891e-03 4.483e-03 -2.311 -2.348 -0.038 24.63 +C(4) 6.029e-03 + HCO3- 4.866e-03 4.460e-03 -2.313 -2.351 -0.038 24.63 CO2 1.123e-03 1.124e-03 -2.950 -2.949 0.000 34.43 - CaHCO3+ 1.051e-04 9.647e-05 -3.978 -4.016 -0.037 9.71 - CaCO3 5.334e-06 5.342e-06 -5.273 -5.272 0.001 -14.61 - CO3-2 2.671e-06 1.885e-06 -5.573 -5.725 -0.151 -3.73 + CaHCO3+ 3.194e-05 2.932e-05 -4.496 -4.533 -0.037 122.68 + CaCO3 5.334e-06 5.343e-06 -5.273 -5.272 0.001 -14.61 + CO3-2 2.644e-06 1.867e-06 -5.578 -5.729 -0.151 -3.73 (CO2)2 2.315e-08 2.319e-08 -7.635 -7.635 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.687e-03 -2.621 -2.773 -0.152 -17.98 - CaHCO3+ 1.051e-04 9.647e-05 -3.978 -4.016 -0.037 9.71 - CaCO3 5.334e-06 5.342e-06 -5.273 -5.272 0.001 -14.61 - CaOH+ 2.746e-09 2.510e-09 -8.561 -8.600 -0.039 (0) +Ca 2.453e-03 + Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98 + CaHCO3+ 3.194e-05 2.932e-05 -4.496 -4.533 -0.037 122.68 + CaCO3 5.334e-06 5.343e-06 -5.273 -5.272 0.001 -14.61 + CaOH+ 2.760e-09 2.523e-09 -8.559 -8.598 -0.039 (0) H(0) 2.480e-10 H2 1.240e-10 1.242e-10 -9.907 -9.906 0.001 28.61 -N(-3) 8.293e-06 - NH4+ 8.255e-06 7.516e-06 -5.083 -5.124 -0.041 (0) +N(-3) 8.333e-06 + NH4+ 8.295e-06 7.553e-06 -5.081 -5.122 -0.041 (0) NH3 3.835e-08 3.841e-08 -7.416 -7.416 0.001 (0) N(0) 1.416e-07 - N2 7.081e-08 7.093e-08 -7.150 -7.149 0.001 29.29 + N2 7.080e-08 7.092e-08 -7.150 -7.149 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.418 -61.458 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -61.420 -61.461 -0.040 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.232 -83.273 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -83.235 -83.275 -0.040 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.569 -72.569 0.001 30.40 @@ -2115,7 +2115,7 @@ Total pressure: 0.07 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -2.66 2.212e-03 1.000 2.657e-22 2.097e-03 2.097e-03 +CH4(g) -2.66 2.212e-03 1.000 2.664e-22 2.097e-03 2.097e-03 CO2(g) -1.47 3.352e-02 1.000 2.997e-02 3.179e-02 1.823e-03 H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.426e-05 N2(g) -3.85 1.418e-04 1.000 0.000e+00 1.345e-04 1.345e-04 @@ -2124,64 +2124,64 @@ N2(g) -3.85 1.418e-04 1.000 0.000e+00 1.345e-04 1.345e-04 Elements Molality Moles - C 6.149e-03 6.149e-03 - Ca 2.502e-03 2.502e-03 - N 1.095e-05 1.095e-05 + C 6.051e-03 6.051e-03 + Ca 2.453e-03 2.453e-03 + N 1.100e-05 1.100e-05 ----------------------------Description of solution---------------------------- - pH = 6.947 Charge balance - pe = -3.584 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 459 - Density (g/cm³) = 0.99734 - Volume (L) = 1.00308 + pH = 6.944 Charge balance + pe = -3.581 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 458 + Density (g/cm³) = 0.99733 + Volume (L) = 1.00309 Viscosity (mPa s) = 0.89304 Activity of water = 1.000 Ionic strength (mol/kgw) = 7.293e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.014e-03 - Total CO2 (mol/kg) = 6.145e-03 + Total alkalinity (eq/kg) = 4.917e-03 + Total CO2 (mol/kg) = 6.048e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.07 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 29 + Iterations = 28 Total H = 1.110128e+02 - Total O = 5.552117e+01 + Total O = 5.552092e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.225e-07 1.131e-07 -6.912 -6.947 -0.035 0.00 - OH- 9.806e-08 8.951e-08 -7.008 -7.048 -0.040 -4.05 + H+ 1.231e-07 1.136e-07 -6.910 -6.944 -0.035 0.00 + OH- 9.758e-08 8.906e-08 -7.011 -7.050 -0.040 -4.05 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 C(-4) 3.485e-06 CH4 3.485e-06 3.491e-06 -5.458 -5.457 0.001 35.45 -C(4) 6.145e-03 - HCO3- 4.893e-03 4.485e-03 -2.310 -2.348 -0.038 24.63 +C(4) 6.048e-03 + HCO3- 4.869e-03 4.463e-03 -2.313 -2.350 -0.038 24.63 CO2 1.139e-03 1.140e-03 -2.943 -2.943 0.000 34.43 - CaHCO3+ 1.052e-04 9.652e-05 -3.978 -4.015 -0.037 9.71 - CaCO3 5.262e-06 5.271e-06 -5.279 -5.278 0.001 -14.61 - CO3-2 2.636e-06 1.860e-06 -5.579 -5.730 -0.151 -3.73 + CaHCO3+ 3.196e-05 2.933e-05 -4.495 -4.533 -0.037 122.68 + CaCO3 5.263e-06 5.272e-06 -5.279 -5.278 0.001 -14.61 + CO3-2 2.609e-06 1.842e-06 -5.583 -5.735 -0.151 -3.73 (CO2)2 2.383e-08 2.387e-08 -7.623 -7.622 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.687e-03 -2.621 -2.773 -0.152 -17.98 - CaHCO3+ 1.052e-04 9.652e-05 -3.978 -4.015 -0.037 9.71 - CaCO3 5.262e-06 5.271e-06 -5.279 -5.278 0.001 -14.61 - CaOH+ 2.708e-09 2.475e-09 -8.567 -8.606 -0.039 (0) +Ca 2.453e-03 + Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98 + CaHCO3+ 3.196e-05 2.933e-05 -4.495 -4.533 -0.037 122.68 + CaCO3 5.263e-06 5.272e-06 -5.279 -5.278 0.001 -14.61 + CaOH+ 2.722e-09 2.488e-09 -8.565 -8.604 -0.039 (0) H(0) 2.656e-10 H2 1.328e-10 1.330e-10 -9.877 -9.876 0.001 28.61 -N(-3) 1.076e-05 - NH4+ 1.071e-05 9.756e-06 -4.970 -5.011 -0.041 (0) - NH3 4.909e-08 4.917e-08 -7.309 -7.308 0.001 (0) +N(-3) 1.082e-05 + NH4+ 1.077e-05 9.803e-06 -4.968 -5.009 -0.041 (0) + NH3 4.908e-08 4.916e-08 -7.309 -7.308 0.001 (0) N(0) 1.890e-07 - N2 9.452e-08 9.468e-08 -7.024 -7.024 0.001 29.29 + N2 9.450e-08 9.466e-08 -7.025 -7.024 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.406 -61.446 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -61.408 -61.448 -0.040 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.250 -83.290 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -83.252 -83.292 -0.040 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.629 -72.628 0.001 30.40 @@ -2235,73 +2235,73 @@ Total pressure: 0.07 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -2.35 4.424e-03 1.000 2.657e-22 4.195e-03 4.195e-03 +CH4(g) -2.35 4.424e-03 1.000 2.664e-22 4.195e-03 4.195e-03 CO2(g) -1.45 3.544e-02 1.000 2.997e-02 3.361e-02 3.647e-03 H2O(g) -1.50 3.144e-02 0.999 2.977e-02 2.982e-02 4.546e-05 -N2(g) -3.55 2.843e-04 1.000 0.000e+00 2.696e-04 2.696e-04 +N2(g) -3.55 2.842e-04 1.000 0.000e+00 2.696e-04 2.696e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 6.228e-03 6.228e-03 - Ca 2.502e-03 2.502e-03 - N 2.079e-05 2.079e-05 + C 6.130e-03 6.130e-03 + Ca 2.453e-03 2.453e-03 + N 2.089e-05 2.089e-05 ----------------------------Description of solution---------------------------- - pH = 6.923 Charge balance - pe = -3.595 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 459 - Density (g/cm³) = 0.99734 + pH = 6.921 Charge balance + pe = -3.593 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 458 + Density (g/cm³) = 0.99733 Volume (L) = 1.00309 Viscosity (mPa s) = 0.89304 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.302e-03 + Ionic strength (mol/kgw) = 7.303e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.024e-03 - Total CO2 (mol/kg) = 6.221e-03 + Total alkalinity (eq/kg) = 4.926e-03 + Total CO2 (mol/kg) = 6.123e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.07 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 29 + Iterations = 28 Total H = 1.110132e+02 - Total O = 5.552152e+01 + Total O = 5.552127e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.293e-07 1.193e-07 -6.889 -6.923 -0.035 0.00 - OH- 9.294e-08 8.483e-08 -7.032 -7.071 -0.040 -4.05 + H+ 1.299e-07 1.199e-07 -6.886 -6.921 -0.035 0.00 + OH- 9.248e-08 8.441e-08 -7.034 -7.074 -0.040 -4.05 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 C(-4) 6.970e-06 CH4 6.970e-06 6.982e-06 -5.157 -5.156 0.001 35.45 -C(4) 6.221e-03 - HCO3- 4.903e-03 4.494e-03 -2.309 -2.347 -0.038 24.63 +C(4) 6.123e-03 + HCO3- 4.879e-03 4.472e-03 -2.312 -2.349 -0.038 24.63 CO2 1.204e-03 1.206e-03 -2.919 -2.919 0.000 34.43 - CaHCO3+ 1.054e-04 9.670e-05 -3.977 -4.015 -0.037 9.71 - CaCO3 4.996e-06 5.005e-06 -5.301 -5.301 0.001 -14.61 - CO3-2 2.503e-06 1.767e-06 -5.601 -5.753 -0.151 -3.73 + CaHCO3+ 3.202e-05 2.939e-05 -4.495 -4.532 -0.037 122.68 + CaCO3 4.998e-06 5.006e-06 -5.301 -5.300 0.001 -14.61 + CO3-2 2.479e-06 1.749e-06 -5.606 -5.757 -0.151 -3.73 (CO2)2 2.664e-08 2.668e-08 -7.574 -7.574 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.686e-03 -2.621 -2.773 -0.152 -17.98 - CaHCO3+ 1.054e-04 9.670e-05 -3.977 -4.015 -0.037 9.71 - CaCO3 4.996e-06 5.005e-06 -5.301 -5.301 0.001 -14.61 - CaOH+ 2.566e-09 2.346e-09 -8.591 -8.630 -0.039 (0) +Ca 2.453e-03 + Ca+2 2.416e-03 1.704e-03 -2.617 -2.769 -0.152 -17.98 + CaHCO3+ 3.202e-05 2.939e-05 -4.495 -4.532 -0.037 122.68 + CaCO3 4.998e-06 5.006e-06 -5.301 -5.300 0.001 -14.61 + CaOH+ 2.580e-09 2.358e-09 -8.588 -8.627 -0.039 (0) H(0) 3.114e-10 H2 1.557e-10 1.560e-10 -9.808 -9.807 0.001 28.61 -N(-3) 2.042e-05 - NH4+ 2.033e-05 1.851e-05 -4.692 -4.733 -0.041 (0) - NH3 8.826e-08 8.841e-08 -7.054 -7.054 0.001 (0) +N(-3) 2.051e-05 + NH4+ 2.043e-05 1.860e-05 -4.690 -4.731 -0.041 (0) + NH3 8.825e-08 8.840e-08 -7.054 -7.054 0.001 (0) N(0) 3.788e-07 N2 1.894e-07 1.897e-07 -6.723 -6.722 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.382 -61.422 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -61.384 -61.425 -0.040 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.295 -83.335 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -83.297 -83.338 -0.040 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.767 -72.766 0.001 30.40 @@ -2355,73 +2355,73 @@ Total pressure: 0.08 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -2.05 8.848e-03 1.000 2.657e-22 8.391e-03 8.391e-03 +CH4(g) -2.05 8.848e-03 1.000 2.664e-22 8.391e-03 8.391e-03 CO2(g) -1.41 3.929e-02 1.000 2.997e-02 3.726e-02 7.293e-03 H2O(g) -1.50 3.145e-02 0.999 2.977e-02 2.982e-02 4.786e-05 -N2(g) -3.24 5.691e-04 1.000 0.000e+00 5.397e-04 5.397e-04 +N2(g) -3.24 5.690e-04 1.000 0.000e+00 5.396e-04 5.396e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 6.385e-03 6.385e-03 - Ca 2.502e-03 2.502e-03 - N 4.054e-05 4.053e-05 + C 6.288e-03 6.288e-03 + Ca 2.453e-03 2.453e-03 + N 4.072e-05 4.072e-05 ----------------------------Description of solution---------------------------- - pH = 6.880 Charge balance - pe = -3.584 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 460 - Density (g/cm³) = 0.99734 + pH = 6.878 Charge balance + pe = -3.582 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 459 + Density (g/cm³) = 0.99733 Volume (L) = 1.00310 Viscosity (mPa s) = 0.89305 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.322e-03 + Ionic strength (mol/kgw) = 7.323e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.043e-03 - Total CO2 (mol/kg) = 6.371e-03 + Total alkalinity (eq/kg) = 4.946e-03 + Total CO2 (mol/kg) = 6.274e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.08 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 28 + Iterations = 26 Total H = 1.110141e+02 - Total O = 5.552222e+01 + Total O = 5.552198e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.427e-07 1.317e-07 -6.846 -6.880 -0.035 0.00 - OH- 8.420e-08 7.684e-08 -7.075 -7.114 -0.040 -4.05 + H+ 1.434e-07 1.323e-07 -6.843 -6.878 -0.035 0.00 + OH- 8.379e-08 7.647e-08 -7.077 -7.117 -0.040 -4.05 H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.07 C(-4) 1.394e-05 CH4 1.394e-05 1.396e-05 -4.856 -4.855 0.001 35.45 -C(4) 6.371e-03 - HCO3- 4.924e-03 4.512e-03 -2.308 -2.346 -0.038 24.63 +C(4) 6.274e-03 + HCO3- 4.900e-03 4.490e-03 -2.310 -2.348 -0.038 24.63 CO2 1.335e-03 1.336e-03 -2.875 -2.874 0.000 34.43 - CaHCO3+ 1.058e-04 9.705e-05 -3.976 -4.013 -0.037 9.71 - CaCO3 4.542e-06 4.550e-06 -5.343 -5.342 0.001 -14.61 - CO3-2 2.278e-06 1.607e-06 -5.642 -5.794 -0.152 -3.73 + CaHCO3+ 3.215e-05 2.950e-05 -4.493 -4.530 -0.037 122.68 + CaCO3 4.545e-06 4.553e-06 -5.342 -5.342 0.001 -14.61 + CO3-2 2.256e-06 1.591e-06 -5.647 -5.798 -0.152 -3.73 (CO2)2 3.273e-08 3.278e-08 -7.485 -7.484 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.686e-03 -2.621 -2.773 -0.152 -17.98 - CaHCO3+ 1.058e-04 9.705e-05 -3.976 -4.013 -0.037 9.71 - CaCO3 4.542e-06 4.550e-06 -5.343 -5.342 0.001 -14.61 - CaOH+ 2.324e-09 2.124e-09 -8.634 -8.673 -0.039 (0) +Ca 2.453e-03 + Ca+2 2.416e-03 1.703e-03 -2.617 -2.769 -0.152 -17.98 + CaHCO3+ 3.215e-05 2.950e-05 -4.493 -4.530 -0.037 122.68 + CaCO3 4.545e-06 4.553e-06 -5.342 -5.342 0.001 -14.61 + CaOH+ 2.337e-09 2.135e-09 -8.631 -8.671 -0.039 (0) H(0) 3.610e-10 H2 1.805e-10 1.808e-10 -9.744 -9.743 0.001 28.61 -N(-3) 3.978e-05 - NH4+ 3.962e-05 3.607e-05 -4.402 -4.443 -0.041 (0) +N(-3) 3.997e-05 + NH4+ 3.981e-05 3.624e-05 -4.400 -4.441 -0.041 (0) NH3 1.558e-07 1.561e-07 -6.807 -6.807 0.001 (0) -N(0) 7.584e-07 - N2 3.792e-07 3.798e-07 -6.421 -6.420 0.001 29.29 +N(0) 7.583e-07 + N2 3.791e-07 3.798e-07 -6.421 -6.420 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.370 -61.411 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -61.373 -61.413 -0.040 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.348 -83.388 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -83.350 -83.390 -0.040 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -72.895 -72.894 0.001 30.40 @@ -2431,7 +2431,7 @@ O(0) 0.000e+00 Aragonite -0.23 -8.57 -8.34 CaCO3 Calcite -0.09 -8.57 -8.48 CaCO3 - CH4(g) -2.05 -4.85 -2.80 CH4 Pressure 0.0 atm, phi 1.000 + CH4(g) -2.05 -4.86 -2.80 CH4 Pressure 0.0 atm, phi 1.000 CO2(g) -1.41 -2.87 -1.47 CO2 Pressure 0.0 atm, phi 1.000 H2(g) -6.64 -9.74 -3.10 H2 H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.999 @@ -2475,7 +2475,7 @@ Total pressure: 0.10 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -1.75 1.769e-02 1.000 2.657e-22 1.678e-02 1.678e-02 +CH4(g) -1.75 1.769e-02 1.000 2.664e-22 1.678e-02 1.678e-02 CO2(g) -1.33 4.698e-02 0.999 2.997e-02 4.455e-02 1.459e-02 H2O(g) -1.50 3.145e-02 0.999 2.977e-02 2.983e-02 5.266e-05 N2(g) -2.94 1.137e-03 1.000 0.000e+00 1.079e-03 1.079e-03 @@ -2484,64 +2484,64 @@ N2(g) -2.94 1.137e-03 1.000 0.000e+00 1.079e-03 1.079e-03 Elements Molality Moles - C 6.702e-03 6.702e-03 - Ca 2.502e-03 2.502e-03 - N 8.235e-05 8.234e-05 + C 6.605e-03 6.605e-03 + Ca 2.453e-03 2.453e-03 + N 8.272e-05 8.272e-05 ----------------------------Description of solution---------------------------- - pH = 6.806 Charge balance - pe = -3.538 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 461 - Density (g/cm³) = 0.99735 - Volume (L) = 1.00312 - Viscosity (mPa s) = 0.89306 + pH = 6.804 Charge balance + pe = -3.536 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 460 + Density (g/cm³) = 0.99734 + Volume (L) = 1.00313 + Viscosity (mPa s) = 0.89307 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.363e-03 + Ionic strength (mol/kgw) = 7.365e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.084e-03 - Total CO2 (mol/kg) = 6.674e-03 + Total alkalinity (eq/kg) = 4.987e-03 + Total CO2 (mol/kg) = 6.577e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 27 Total H = 1.110159e+02 - Total O = 5.552363e+01 + Total O = 5.552339e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.692e-07 1.562e-07 -6.772 -6.806 -0.035 0.00 - OH- 7.103e-08 6.481e-08 -7.149 -7.188 -0.040 -4.05 + H+ 1.700e-07 1.569e-07 -6.770 -6.804 -0.035 0.00 + OH- 7.070e-08 6.451e-08 -7.151 -7.190 -0.040 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 2.788e-05 CH4 2.788e-05 2.792e-05 -4.555 -4.554 0.001 35.45 -C(4) 6.674e-03 - HCO3- 4.966e-03 4.550e-03 -2.304 -2.342 -0.038 24.63 +C(4) 6.577e-03 + HCO3- 4.943e-03 4.529e-03 -2.306 -2.344 -0.038 24.63 CO2 1.596e-03 1.598e-03 -2.797 -2.797 0.000 34.43 - CaHCO3+ 1.066e-04 9.777e-05 -3.972 -4.010 -0.037 9.71 - CaCO3 3.860e-06 3.866e-06 -5.413 -5.413 0.001 -14.61 - CO3-2 1.939e-06 1.366e-06 -5.712 -5.864 -0.152 -3.73 - (CO2)2 4.678e-08 4.685e-08 -7.330 -7.329 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.391e-03 1.684e-03 -2.621 -2.774 -0.152 -17.98 - CaHCO3+ 1.066e-04 9.777e-05 -3.972 -4.010 -0.037 9.71 - CaCO3 3.860e-06 3.866e-06 -5.413 -5.413 0.001 -14.61 - CaOH+ 1.959e-09 1.790e-09 -8.708 -8.747 -0.039 (0) + CaHCO3+ 3.241e-05 2.973e-05 -4.489 -4.527 -0.037 122.68 + CaCO3 3.864e-06 3.871e-06 -5.413 -5.412 0.001 -14.61 + CO3-2 1.921e-06 1.354e-06 -5.716 -5.868 -0.152 -3.73 + (CO2)2 4.677e-08 4.685e-08 -7.330 -7.329 0.001 68.87 +Ca 2.453e-03 + Ca+2 2.417e-03 1.702e-03 -2.617 -2.769 -0.152 -17.98 + CaHCO3+ 3.241e-05 2.973e-05 -4.489 -4.527 -0.037 122.68 + CaCO3 3.864e-06 3.871e-06 -5.413 -5.412 0.001 -14.61 + CaOH+ 1.970e-09 1.800e-09 -8.706 -8.745 -0.039 (0) H(0) 4.105e-10 H2 2.052e-10 2.056e-10 -9.688 -9.687 0.001 28.61 -N(-3) 8.083e-05 - NH4+ 8.056e-05 7.332e-05 -4.094 -4.135 -0.041 (0) +N(-3) 8.120e-05 + NH4+ 8.093e-05 7.366e-05 -4.092 -4.133 -0.041 (0) NH3 2.671e-07 2.676e-07 -6.573 -6.573 0.001 (0) N(0) 1.516e-06 - N2 7.579e-07 7.592e-07 -6.120 -6.120 0.001 29.29 + N2 7.578e-07 7.591e-07 -6.120 -6.120 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.378 -61.418 -0.040 25.02 + NO2- 0.000e+00 0.000e+00 -61.380 -61.420 -0.040 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.411 -83.451 -0.040 29.54 + NO3- 0.000e+00 0.000e+00 -83.413 -83.453 -0.040 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.007 -73.006 0.001 30.40 @@ -2595,73 +2595,73 @@ Total pressure: 0.13 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -1.45 3.538e-02 1.000 2.657e-22 3.356e-02 3.356e-02 -CO2(g) -1.21 6.234e-02 0.999 2.997e-02 5.913e-02 2.917e-02 +CH4(g) -1.45 3.538e-02 1.000 2.664e-22 3.356e-02 3.356e-02 +CO2(g) -1.21 6.234e-02 0.999 2.997e-02 5.913e-02 2.916e-02 H2O(g) -1.50 3.146e-02 0.999 2.977e-02 2.984e-02 6.224e-05 -N2(g) -2.64 2.269e-03 1.000 0.000e+00 2.152e-03 2.152e-03 +N2(g) -2.64 2.268e-03 1.000 0.000e+00 2.151e-03 2.151e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 7.345e-03 7.345e-03 - Ca 2.502e-03 2.502e-03 - N 1.764e-04 1.764e-04 + C 7.248e-03 7.248e-03 + Ca 2.453e-03 2.453e-03 + N 1.772e-04 1.772e-04 ----------------------------Description of solution---------------------------- - pH = 6.692 Charge balance - pe = -3.445 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 465 - Density (g/cm³) = 0.99736 + pH = 6.690 Charge balance + pe = -3.443 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 464 + Density (g/cm³) = 0.99735 Volume (L) = 1.00317 Viscosity (mPa s) = 0.89310 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.454e-03 + Ionic strength (mol/kgw) = 7.459e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.177e-03 - Total CO2 (mol/kg) = 7.290e-03 + Total alkalinity (eq/kg) = 5.080e-03 + Total CO2 (mol/kg) = 7.193e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.13 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 28 + Iterations = 24 Total H = 1.110195e+02 - Total O = 5.552647e+01 + Total O = 5.552622e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 2.206e-07 2.035e-07 -6.656 -6.692 -0.035 0.00 - OH- 5.454e-08 4.974e-08 -7.263 -7.303 -0.040 -4.05 + H+ 2.215e-07 2.043e-07 -6.655 -6.690 -0.035 0.00 + OH- 5.431e-08 4.952e-08 -7.265 -7.305 -0.040 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 5.573e-05 CH4 5.573e-05 5.583e-05 -4.254 -4.253 0.001 35.45 -C(4) 7.290e-03 - HCO3- 5.059e-03 4.633e-03 -2.296 -2.334 -0.038 24.63 +C(4) 7.193e-03 + HCO3- 5.037e-03 4.613e-03 -2.298 -2.336 -0.038 24.63 CO2 2.117e-03 2.120e-03 -2.674 -2.674 0.000 34.43 - CaHCO3+ 1.083e-04 9.933e-05 -3.965 -4.003 -0.038 9.71 - CaCO3 3.009e-06 3.015e-06 -5.522 -5.521 0.001 -14.61 - CO3-2 1.518e-06 1.068e-06 -5.819 -5.971 -0.153 -3.73 - (CO2)2 8.234e-08 8.249e-08 -7.084 -7.084 0.001 68.87 -Ca 2.502e-03 - Ca+2 2.390e-03 1.680e-03 -2.622 -2.775 -0.153 -17.97 - CaHCO3+ 1.083e-04 9.933e-05 -3.965 -4.003 -0.038 9.71 - CaCO3 3.009e-06 3.015e-06 -5.522 -5.521 0.001 -14.61 - CaOH+ 1.501e-09 1.370e-09 -8.824 -8.863 -0.039 (0) + CaHCO3+ 3.297e-05 3.023e-05 -4.482 -4.520 -0.038 122.68 + CaCO3 3.016e-06 3.022e-06 -5.521 -5.520 0.001 -14.61 + CO3-2 1.505e-06 1.059e-06 -5.822 -5.975 -0.153 -3.73 + (CO2)2 8.234e-08 8.248e-08 -7.084 -7.084 0.001 68.87 +Ca 2.453e-03 + Ca+2 2.417e-03 1.699e-03 -2.617 -2.770 -0.153 -17.97 + CaHCO3+ 3.297e-05 3.023e-05 -4.482 -4.520 -0.038 122.68 + CaCO3 3.016e-06 3.022e-06 -5.521 -5.520 0.001 -14.61 + CaOH+ 1.511e-09 1.380e-09 -8.821 -8.860 -0.039 (0) H(0) 4.548e-10 H2 2.274e-10 2.278e-10 -9.643 -9.642 0.001 28.61 -N(-3) 1.734e-04 - NH4+ 1.730e-04 1.574e-04 -3.762 -3.803 -0.041 (0) - NH3 4.400e-07 4.407e-07 -6.357 -6.356 0.001 (0) -N(0) 3.023e-06 +N(-3) 1.742e-04 + NH4+ 1.737e-04 1.580e-04 -3.760 -3.801 -0.041 (0) + NH3 4.399e-07 4.407e-07 -6.357 -6.356 0.001 (0) +N(0) 3.022e-06 N2 1.511e-06 1.514e-06 -5.821 -5.820 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.409 -61.450 -0.041 25.02 + NO2- 0.000e+00 0.000e+00 -61.411 -61.452 -0.041 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.487 -83.527 -0.041 29.54 + NO3- 0.000e+00 0.000e+00 -83.489 -83.529 -0.041 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.096 -73.095 0.001 30.40 @@ -2715,73 +2715,73 @@ Total pressure: 0.20 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -1.16 6.907e-02 1.000 2.657e-22 6.553e-02 6.553e-02 +CH4(g) -1.16 6.907e-02 1.000 2.664e-22 6.553e-02 6.553e-02 CO2(g) -1.04 9.161e-02 0.999 2.997e-02 8.691e-02 5.694e-02 H2O(g) -1.50 3.147e-02 0.998 2.977e-02 2.986e-02 8.047e-05 -N2(g) -2.36 4.408e-03 1.000 0.000e+00 4.182e-03 4.182e-03 +N2(g) -2.36 4.407e-03 1.000 0.000e+00 4.181e-03 4.181e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 8.599e-03 8.599e-03 - Ca 2.501e-03 2.502e-03 - N 3.861e-04 3.861e-04 + C 8.502e-03 8.503e-03 + Ca 2.453e-03 2.453e-03 + N 3.874e-04 3.874e-04 ----------------------------Description of solution---------------------------- - pH = 6.541 Charge balance - pe = -3.311 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 473 - Density (g/cm³) = 0.99738 + pH = 6.540 Charge balance + pe = -3.309 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 472 + Density (g/cm³) = 0.99737 Volume (L) = 1.00326 Viscosity (mPa s) = 0.89318 Activity of water = 1.000 - Ionic strength (mol/kgw) = 7.655e-03 + Ionic strength (mol/kgw) = 7.665e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.383e-03 - Total CO2 (mol/kg) = 8.490e-03 + Total alkalinity (eq/kg) = 5.287e-03 + Total CO2 (mol/kg) = 8.394e-03 Temperature (°C) = 25.00 Pressure (atm) = 0.20 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 31 + Iterations = 30 Total H = 1.110264e+02 - Total O = 5.553190e+01 + Total O = 5.553165e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 3.120e-07 2.875e-07 -6.506 -6.541 -0.035 0.00 - OH- 3.864e-08 3.520e-08 -7.413 -7.453 -0.041 -4.05 + H+ 3.131e-07 2.885e-07 -6.504 -6.540 -0.035 0.00 + OH- 3.851e-08 3.507e-08 -7.414 -7.455 -0.041 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 1.088e-04 CH4 1.088e-04 1.090e-04 -3.963 -3.963 0.001 35.45 -C(4) 8.490e-03 - HCO3- 5.264e-03 4.816e-03 -2.279 -2.317 -0.039 24.63 +C(4) 8.394e-03 + HCO3- 5.246e-03 4.799e-03 -2.280 -2.319 -0.039 24.63 CO2 3.110e-03 3.114e-03 -2.507 -2.507 0.001 34.43 - CaHCO3+ 1.121e-04 1.027e-04 -3.950 -3.988 -0.038 9.71 - CaCO3 2.202e-06 2.206e-06 -5.657 -5.656 0.001 -14.60 - CO3-2 1.121e-06 7.856e-07 -5.950 -6.105 -0.155 -3.72 + CaHCO3+ 3.418e-05 3.131e-05 -4.466 -4.504 -0.038 122.68 + CaCO3 2.212e-06 2.216e-06 -5.655 -5.654 0.001 -14.60 + CO3-2 1.114e-06 7.800e-07 -5.953 -6.108 -0.155 -3.72 (CO2)2 1.777e-07 1.780e-07 -6.750 -6.750 0.001 68.87 -Ca 2.501e-03 - Ca+2 2.387e-03 1.671e-03 -2.622 -2.777 -0.155 -17.97 - CaHCO3+ 1.121e-04 1.027e-04 -3.950 -3.988 -0.038 9.71 - CaCO3 2.202e-06 2.206e-06 -5.657 -5.656 0.001 -14.60 - CaOH+ 1.057e-09 9.646e-10 -8.976 -9.016 -0.040 (0) +Ca 2.453e-03 + Ca+2 2.416e-03 1.691e-03 -2.617 -2.772 -0.155 -17.97 + CaHCO3+ 3.418e-05 3.131e-05 -4.466 -4.504 -0.038 122.68 + CaCO3 2.212e-06 2.216e-06 -5.655 -5.654 0.001 -14.60 + CaOH+ 1.066e-09 9.727e-10 -8.972 -9.012 -0.040 (0) H(0) 4.883e-10 H2 2.441e-10 2.446e-10 -9.612 -9.612 0.001 28.61 -N(-3) 3.802e-04 - NH4+ 3.795e-04 3.448e-04 -3.421 -3.462 -0.042 (0) +N(-3) 3.815e-04 + NH4+ 3.808e-04 3.460e-04 -3.419 -3.461 -0.042 (0) NH3 6.822e-07 6.834e-07 -6.166 -6.165 0.001 (0) -N(0) 5.874e-06 - N2 2.937e-06 2.942e-06 -5.532 -5.531 0.001 29.29 +N(0) 5.873e-06 + N2 2.936e-06 2.942e-06 -5.532 -5.531 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.461 -61.502 -0.041 25.02 + NO2- 0.000e+00 0.000e+00 -61.463 -61.504 -0.041 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.569 -83.611 -0.041 29.54 + NO3- 0.000e+00 0.000e+00 -83.571 -83.612 -0.041 29.54 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.158 -73.157 0.001 30.40 @@ -2789,7 +2789,7 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 0 atm) - Aragonite -0.55 -8.88 -8.34 CaCO3 + Aragonite -0.54 -8.88 -8.34 CaCO3 Calcite -0.40 -8.88 -8.48 CaCO3 CH4(g) -1.16 -3.96 -2.80 CH4 Pressure 0.1 atm, phi 1.000 CO2(g) -1.04 -2.51 -1.47 CO2 Pressure 0.1 atm, phi 0.999 @@ -2835,73 +2835,73 @@ Total pressure: 0.33 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -0.86 1.380e-01 0.999 2.657e-22 1.310e-01 1.310e-01 +CH4(g) -0.86 1.380e-01 0.999 2.664e-22 1.310e-01 1.310e-01 CO2(g) -0.82 1.515e-01 0.998 2.997e-02 1.438e-01 1.138e-01 H2O(g) -1.50 3.150e-02 0.997 2.977e-02 2.989e-02 1.178e-04 -N2(g) -2.06 8.752e-03 1.000 0.000e+00 8.307e-03 8.307e-03 +N2(g) -2.06 8.751e-03 1.000 0.000e+00 8.306e-03 8.306e-03 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 1.123e-02 1.123e-02 - Ca 2.501e-03 2.502e-03 - N 8.857e-04 8.858e-04 + C 1.114e-02 1.114e-02 + Ca 2.452e-03 2.453e-03 + N 8.876e-04 8.878e-04 ----------------------------Description of solution---------------------------- - pH = 6.361 Charge balance - pe = -3.140 Adjusted to redox equilibrium + pH = 6.360 Charge balance + pe = -3.139 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 491 - Density (g/cm³) = 0.99743 - Volume (L) = 1.00344 - Viscosity (mPa s) = 0.89336 + Density (g/cm³) = 0.99742 + Volume (L) = 1.00345 + Viscosity (mPa s) = 0.89337 Activity of water = 1.000 - Ionic strength (mol/kgw) = 8.132e-03 + Ionic strength (mol/kgw) = 8.155e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 5.876e-03 - Total CO2 (mol/kg) = 1.101e-02 + Total alkalinity (eq/kg) = 5.781e-03 + Total CO2 (mol/kg) = 1.092e-02 Temperature (°C) = 25.00 Pressure (atm) = 0.33 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 32 Total H = 1.110406e+02 - Total O = 5.554310e+01 + Total O = 5.554286e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 4.740e-07 4.359e-07 -6.324 -6.361 -0.036 0.00 - OH- 2.555e-08 2.321e-08 -7.593 -7.634 -0.042 -4.05 + H+ 4.750e-07 4.369e-07 -6.323 -6.360 -0.036 0.00 + OH- 2.550e-08 2.316e-08 -7.593 -7.635 -0.042 -4.05 H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.07 C(-4) 2.173e-04 CH4 2.173e-04 2.177e-04 -3.663 -3.662 0.001 35.45 -C(4) 1.101e-02 - HCO3- 5.750e-03 5.249e-03 -2.240 -2.280 -0.040 24.63 +C(4) 1.092e-02 + HCO3- 5.738e-03 5.237e-03 -2.241 -2.281 -0.040 24.64 CO2 5.139e-03 5.146e-03 -2.289 -2.289 0.001 34.43 - CaHCO3+ 1.209e-04 1.105e-04 -3.918 -3.957 -0.039 9.72 - CaCO3 1.562e-06 1.565e-06 -5.806 -5.805 0.001 -14.60 - CO3-2 8.135e-07 5.646e-07 -6.090 -6.248 -0.159 -3.71 + CaHCO3+ 3.699e-05 3.381e-05 -4.432 -4.471 -0.039 122.68 + CaCO3 1.577e-06 1.580e-06 -5.802 -5.801 0.001 -14.60 + CO3-2 8.103e-07 5.622e-07 -6.091 -6.250 -0.159 -3.71 (CO2)2 4.851e-07 4.860e-07 -6.314 -6.313 0.001 68.87 -Ca 2.501e-03 - Ca+2 2.379e-03 1.650e-03 -2.624 -2.783 -0.159 -17.96 - CaHCO3+ 1.209e-04 1.105e-04 -3.918 -3.957 -0.039 9.72 - CaCO3 1.562e-06 1.565e-06 -5.806 -5.805 0.001 -14.60 - CaOH+ 6.900e-10 6.280e-10 -9.161 -9.202 -0.041 (0) +Ca 2.452e-03 + Ca+2 2.414e-03 1.673e-03 -2.617 -2.776 -0.159 -17.96 + CaHCO3+ 3.699e-05 3.381e-05 -4.432 -4.471 -0.039 122.68 + CaCO3 1.577e-06 1.580e-06 -5.802 -5.801 0.001 -14.60 + CaOH+ 6.985e-10 6.355e-10 -9.156 -9.197 -0.041 (0) H(0) 5.119e-10 H2 2.560e-10 2.564e-10 -9.592 -9.591 0.001 28.61 -N(-3) 8.740e-04 - NH4+ 8.730e-04 7.910e-04 -3.059 -3.102 -0.043 (0) +N(-3) 8.760e-04 + NH4+ 8.749e-04 7.927e-04 -3.058 -3.101 -0.043 (0) NH3 1.032e-06 1.034e-06 -5.986 -5.985 0.001 (0) N(0) 1.166e-05 - N2 5.831e-06 5.842e-06 -5.234 -5.233 0.001 29.29 + N2 5.830e-06 5.841e-06 -5.234 -5.234 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.523 -61.565 -0.042 25.02 + NO2- 0.000e+00 0.000e+00 -61.524 -61.566 -0.042 25.02 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.652 -83.694 -0.042 29.55 + NO3- 0.000e+00 0.000e+00 -83.653 -83.695 -0.042 29.55 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.199 -73.198 0.001 30.40 @@ -2955,7 +2955,7 @@ Total pressure: 0.60 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -0.56 2.757e-01 0.999 2.657e-22 2.620e-01 2.620e-01 +CH4(g) -0.56 2.757e-01 0.999 2.664e-22 2.620e-01 2.620e-01 CO2(g) -0.57 2.711e-01 0.997 2.997e-02 2.575e-01 2.275e-01 H2O(g) -1.50 3.154e-02 0.996 2.977e-02 2.997e-02 1.923e-04 N2(g) -1.76 1.738e-02 1.000 0.000e+00 1.651e-02 1.651e-02 @@ -2964,62 +2964,62 @@ N2(g) -1.76 1.738e-02 1.000 0.000e+00 1.651e-02 1.651e-02 Elements Molality Moles - C 1.657e-02 1.658e-02 - Ca 2.501e-03 2.502e-03 - N 1.979e-03 1.979e-03 + C 1.647e-02 1.648e-02 + Ca 2.452e-03 2.453e-03 + N 1.980e-03 1.980e-03 ----------------------------Description of solution---------------------------- pH = 6.180 Charge balance pe = -2.966 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 531 - Density (g/cm³) = 0.99754 + Specific Conductance (µS/cm, 25°C) = 532 + Density (g/cm³) = 0.99753 Volume (L) = 1.00381 - Viscosity (mPa s) = 0.89376 + Viscosity (mPa s) = 0.89378 Activity of water = 1.000 - Ionic strength (mol/kgw) = 9.175e-03 + Ionic strength (mol/kgw) = 9.223e-03 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.957e-03 - Total CO2 (mol/kg) = 1.614e-02 + Total alkalinity (eq/kg) = 6.860e-03 + Total CO2 (mol/kg) = 1.604e-02 Temperature (°C) = 25.00 Pressure (atm) = 0.60 Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 33 Total H = 1.110692e+02 - Total O = 5.556560e+01 + Total O = 5.556535e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 7.210e-07 6.605e-07 -6.142 -6.180 -0.038 0.00 + H+ 7.213e-07 6.607e-07 -6.142 -6.180 -0.038 0.00 OH- 1.695e-08 1.532e-08 -7.771 -7.815 -0.044 -4.04 H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.07 C(-4) 4.337e-04 CH4 4.337e-04 4.346e-04 -3.363 -3.362 0.001 35.45 -C(4) 1.614e-02 +C(4) 1.604e-02 CO2 9.180e-03 9.193e-03 -2.037 -2.037 0.001 34.43 - HCO3- 6.813e-03 6.189e-03 -2.167 -2.208 -0.042 24.64 - CaHCO3+ 1.393e-04 1.268e-04 -3.856 -3.897 -0.041 9.72 + HCO3- 6.813e-03 6.187e-03 -2.167 -2.209 -0.042 24.64 + CaHCO3+ 4.294e-05 3.905e-05 -4.367 -4.408 -0.041 122.69 (CO2)2 1.548e-06 1.551e-06 -5.810 -5.809 0.001 68.87 - CaCO3 1.183e-06 1.185e-06 -5.927 -5.926 0.001 -14.60 - CO3-2 6.455e-07 4.394e-07 -6.190 -6.357 -0.167 -3.69 -Ca 2.501e-03 - Ca+2 2.360e-03 1.605e-03 -2.627 -2.794 -0.167 -17.94 - CaHCO3+ 1.393e-04 1.268e-04 -3.856 -3.897 -0.041 9.72 - CaCO3 1.183e-06 1.185e-06 -5.927 -5.926 0.001 -14.60 - CaOH+ 4.454e-10 4.033e-10 -9.351 -9.394 -0.043 (0) + CaCO3 1.205e-06 1.207e-06 -5.919 -5.918 0.001 -14.60 + CO3-2 6.457e-07 4.392e-07 -6.190 -6.357 -0.167 -3.69 +Ca 2.452e-03 + Ca+2 2.408e-03 1.636e-03 -2.618 -2.786 -0.168 -17.94 + CaHCO3+ 4.294e-05 3.905e-05 -4.367 -4.408 -0.041 122.69 + CaCO3 1.205e-06 1.207e-06 -5.919 -5.918 0.001 -14.60 + CaOH+ 4.540e-10 4.109e-10 -9.343 -9.386 -0.043 (0) H(0) 5.262e-10 H2 2.631e-10 2.636e-10 -9.580 -9.579 0.001 28.61 N(-3) 1.956e-03 - NH4+ 1.954e-03 1.760e-03 -2.709 -2.754 -0.045 (0) + NH4+ 1.955e-03 1.761e-03 -2.709 -2.754 -0.045 (0) NH3 1.516e-06 1.519e-06 -5.819 -5.818 0.001 (0) N(0) 2.315e-05 N2 1.158e-05 1.160e-05 -4.936 -4.936 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.570 -61.614 -0.045 25.03 + NO2- 0.000e+00 0.000e+00 -61.570 -61.615 -0.045 25.03 N(5) 0.000e+00 NO3- 0.000e+00 0.000e+00 -83.711 -83.756 -0.045 29.55 O(0) 0.000e+00 @@ -3029,8 +3029,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.82 -9.15 -8.34 CaCO3 - Calcite -0.67 -9.15 -8.48 CaCO3 + Aragonite -0.81 -9.14 -8.34 CaCO3 + Calcite -0.66 -9.14 -8.48 CaCO3 CH4(g) -0.56 -3.36 -2.80 CH4 Pressure 0.3 atm, phi 0.999 CO2(g) -0.57 -2.04 -1.47 CO2 Pressure 0.3 atm, phi 0.997 H2(g) -6.48 -9.58 -3.10 H2 @@ -3075,7 +3075,7 @@ Total pressure: 1.13 atmospheres (Peng-Robinson calculation) ---------------------------------- Component log P P phi Initial Final Delta -CH4(g) -0.26 5.504e-01 0.998 2.657e-22 5.238e-01 5.238e-01 +CH4(g) -0.26 5.504e-01 0.998 2.664e-22 5.238e-01 5.238e-01 CO2(g) -0.29 5.096e-01 0.994 2.997e-02 4.850e-01 4.550e-01 H2O(g) -1.50 3.165e-02 0.992 2.977e-02 3.012e-02 3.446e-04 N2(g) -1.46 3.459e-02 1.001 0.000e+00 3.292e-02 3.292e-02 @@ -3084,64 +3084,64 @@ N2(g) -1.46 3.459e-02 1.001 0.000e+00 3.292e-02 3.292e-02 Elements Molality Moles - C 2.718e-02 2.721e-02 - Ca 2.500e-03 2.502e-03 - N 4.158e-03 4.161e-03 + C 2.708e-02 2.710e-02 + Ca 2.451e-03 2.453e-03 + N 4.153e-03 4.157e-03 ----------------------------Description of solution---------------------------- - pH = 6.021 Charge balance - pe = -2.810 Adjusted to redox equilibrium - Specific Conductance (µS/cm, 25°C) = 610 - Density (g/cm³) = 0.99775 - Volume (L) = 1.00453 - Viscosity (mPa s) = 0.89456 + pH = 6.022 Charge balance + pe = -2.811 Adjusted to redox equilibrium + Specific Conductance (µS/cm, 25°C) = 614 + Density (g/cm³) = 0.99773 + Volume (L) = 1.00454 + Viscosity (mPa s) = 0.89459 Activity of water = 0.999 - Ionic strength (mol/kgw) = 1.126e-02 + Ionic strength (mol/kgw) = 1.135e-02 Mass of water (kg) = 1.001e+00 - Total alkalinity (eq/kg) = 9.111e-03 - Total CO2 (mol/kg) = 2.632e-02 + Total alkalinity (eq/kg) = 9.009e-03 + Total CO2 (mol/kg) = 2.622e-02 Temperature (°C) = 25.00 Pressure (atm) = 1.13 - Electrical balance (eq) = -1.206e-09 + Electrical balance (eq) = -1.204e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 35 Total H = 1.111264e+02 - Total O = 5.561047e+01 + Total O = 5.561022e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.047e-06 9.523e-07 -5.980 -6.021 -0.041 0.00 - OH- 1.187e-08 1.062e-08 -7.925 -7.974 -0.048 -4.03 + H+ 1.046e-06 9.508e-07 -5.981 -6.022 -0.041 0.00 + OH- 1.189e-08 1.064e-08 -7.925 -7.973 -0.048 -4.02 H2O 5.551e+01 9.994e-01 1.744 -0.000 0.000 18.07 -C(-4) 8.642e-04 - CH4 8.642e-04 8.664e-04 -3.063 -3.062 0.001 35.46 -C(4) 2.632e-02 +C(-4) 8.641e-04 + CH4 8.641e-04 8.664e-04 -3.063 -3.062 0.001 35.46 +C(4) 2.622e-02 CO2 1.720e-02 1.723e-02 -1.764 -1.764 0.001 34.43 - HCO3- 8.933e-03 8.044e-03 -2.049 -2.095 -0.046 24.65 - CaHCO3+ 1.738e-04 1.567e-04 -3.760 -3.805 -0.045 9.73 - (CO2)2 5.435e-06 5.449e-06 -5.265 -5.264 0.001 68.87 - CaCO3 1.014e-06 1.016e-06 -5.994 -5.993 0.001 -14.60 - CO3-2 6.027e-07 3.962e-07 -6.220 -6.402 -0.182 -3.64 -Ca 2.500e-03 - Ca+2 2.325e-03 1.527e-03 -2.634 -2.816 -0.182 -17.91 - CaHCO3+ 1.738e-04 1.567e-04 -3.760 -3.805 -0.045 9.73 - CaCO3 1.014e-06 1.016e-06 -5.994 -5.993 0.001 -14.60 - CaOH+ 2.966e-10 2.660e-10 -9.528 -9.575 -0.047 (0) + HCO3- 8.951e-03 8.057e-03 -2.048 -2.094 -0.046 24.66 + CaHCO3+ 5.413e-05 4.881e-05 -4.267 -4.311 -0.045 122.69 + (CO2)2 5.435e-06 5.450e-06 -5.265 -5.264 0.001 68.87 + CaCO3 1.047e-06 1.049e-06 -5.980 -5.979 0.001 -14.60 + CO3-2 6.054e-07 3.974e-07 -6.218 -6.401 -0.183 -3.64 +Ca 2.451e-03 + Ca+2 2.396e-03 1.572e-03 -2.621 -2.804 -0.183 -17.91 + CaHCO3+ 5.413e-05 4.881e-05 -4.267 -4.311 -0.045 122.69 + CaCO3 1.047e-06 1.049e-06 -5.980 -5.979 0.001 -14.60 + CaOH+ 3.058e-10 2.742e-10 -9.515 -9.562 -0.047 (0) H(0) 5.340e-10 H2 2.670e-10 2.677e-10 -9.574 -9.572 0.001 28.61 -N(-3) 4.112e-03 - NH4+ 4.110e-03 3.665e-03 -2.386 -2.436 -0.050 (0) +N(-3) 4.107e-03 + NH4+ 4.105e-03 3.659e-03 -2.387 -2.437 -0.050 (0) NH3 2.187e-06 2.193e-06 -5.660 -5.659 0.001 (0) N(0) 4.606e-05 N2 2.303e-05 2.309e-05 -4.638 -4.637 0.001 29.29 N(3) 0.000e+00 - NO2- 0.000e+00 0.000e+00 -61.585 -61.634 -0.049 25.04 + NO2- 0.000e+00 0.000e+00 -61.584 -61.633 -0.049 25.04 N(5) 0.000e+00 - NO3- 0.000e+00 0.000e+00 -83.733 -83.782 -0.049 29.56 + NO3- 0.000e+00 0.000e+00 -83.732 -83.781 -0.049 29.56 O(0) 0.000e+00 O2 0.000e+00 0.000e+00 -73.237 -73.236 0.001 30.40 @@ -3149,8 +3149,8 @@ O(0) 0.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - Aragonite -0.88 -9.22 -8.34 CaCO3 - Calcite -0.74 -9.22 -8.48 CaCO3 + Aragonite -0.87 -9.20 -8.34 CaCO3 + Calcite -0.72 -9.20 -8.48 CaCO3 CH4(g) -0.26 -3.06 -2.80 CH4 Pressure 0.6 atm, phi 0.998 CO2(g) -0.30 -1.76 -1.47 CO2 Pressure 0.5 atm, phi 0.994 H2(g) -6.47 -9.57 -3.10 H2 diff --git a/ex7.sel b/ex7.sel index bb927faa..ce9b0612 100644 --- a/ex7.sel +++ b/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 -21.5524 -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 -1.3544 -0.4983 -3.9804 -8.3808 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 - 2 react 2.0000e-03 -1.2454 -0.1973 -3.7279 -8.1825 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 - 2 react 3.0000e-03 -1.1582 -0.0212 -3.6047 -8.0876 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 - 2 react 4.0000e-03 -1.0914 -0.0069 -3.4389 -8.0244 1.1000e+00 5.0197e-04 1.1134e-02 3.7187e-05 4.5021e-04 1.6610e-07 0.0000e+00 - 2 react 8.0000e-03 -0.9098 -0.0262 -3.0143 -7.8874 1.1000e+00 2.9373e-03 6.5142e-02 3.3055e-04 2.5198e-03 2.5836e-06 0.0000e+00 - 2 react 1.6000e-02 -0.7177 -0.0600 -2.5772 -7.7536 1.1000e+00 8.3718e-03 1.8563e-01 1.4663e-03 6.6449e-03 2.0143e-05 0.0000e+00 - 2 react 3.2000e-02 -0.5499 -0.1104 -2.1263 -7.6101 1.1000e+00 2.1071e-02 4.6708e-01 5.4326e-03 1.4890e-02 1.4316e-04 0.0000e+00 - 2 react 6.4000e-02 -0.4348 -0.1673 -1.7739 -7.4984 1.1000e+00 5.0847e-02 1.1268e+00 1.7087e-02 3.1521e-02 7.7758e-04 0.0000e+00 - 2 react 1.2500e-01 -0.3738 -0.2103 -1.5956 -7.4482 1.1000e+00 1.1309e-01 2.5057e+00 4.3730e-02 6.3498e-02 2.6073e-03 0.0000e+00 - 2 react 2.5000e-01 -0.3427 -0.2370 -1.5130 -7.4286 1.1000e+00 2.4478e-01 5.4231e+00 1.0169e-01 1.2922e-01 6.8255e-03 0.0000e+00 - 2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1044e-01 1.1308e+01 2.1949e-01 2.6076e-01 1.5502e-02 0.0000e+00 - 2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5605e-01 5.2387e-01 3.2966e-02 0.0000e+00 - 3 i_gas -99 -1.5001 -21.5524 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 - 3 react 1.0000e-03 -1.4939 -3.2574 -4.4528 -9.5993 6.4110e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3422e-05 0.0000e+00 - 3 react 2.0000e-03 -1.4874 -2.9563 -4.1503 -9.3376 6.5179e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7072e-05 0.0000e+00 - 3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1855 6.6249e-02 6.2828e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0078e-04 0.0000e+00 - 3 react 4.0000e-03 -1.4748 -2.6552 -3.8480 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3452e-04 0.0000e+00 - 3 react 8.0000e-03 -1.4506 -2.3542 -3.5461 -8.8235 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1954e-03 2.6960e-04 0.0000e+00 - 3 react 1.6000e-02 -1.4059 -2.0531 -3.2447 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3973e-04 0.0000e+00 - 3 react 3.2000e-02 -1.3283 -1.7522 -2.9439 -8.3425 9.7259e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0788e-03 0.0000e+00 - 3 react 6.4000e-02 -1.2055 -1.4513 -2.6441 -8.1258 1.3145e-01 1.2468e-01 2.3190e+01 5.9133e-02 3.3559e-02 2.1518e-03 0.0000e+00 - 3 react 1.2500e-01 -1.0385 -1.1608 -2.3556 -7.9353 1.9656e-01 1.8648e-01 2.3190e+01 8.6909e-02 6.5530e-02 4.1820e-03 0.0000e+00 - 3 react 2.5000e-01 -0.8204 -0.8602 -2.0577 -7.7555 3.2979e-01 3.1300e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3071e-03 0.0000e+00 - 3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5884 5.9573e-01 5.6594e-01 2.3190e+01 2.5750e-01 2.6196e-01 1.6510e-02 0.0000e+00 - 3 react 1.0000e+00 -0.2955 -0.2603 -1.4608 -7.4290 1.1262e+00 1.0719e+00 2.3190e+01 4.8499e-01 5.2384e-01 3.2919e-02 0.0000e+00 + 1 react -99 -1.5001 -21.5512 -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 -1.3544 -0.4983 -3.9846 -8.3828 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 + 2 react 2.0000e-03 -1.2454 -0.1973 -3.7319 -8.1845 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 + 2 react 3.0000e-03 -1.1582 -0.0212 -3.6085 -8.0895 1.1000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 + 2 react 4.0000e-03 -1.0914 -0.0069 -3.4425 -8.0262 1.1000e+00 5.0196e-04 1.1134e-02 3.7187e-05 4.5021e-04 1.6474e-07 0.0000e+00 + 2 react 8.0000e-03 -0.9098 -0.0262 -3.0171 -7.8889 1.1000e+00 2.9372e-03 6.5141e-02 3.3055e-04 2.5198e-03 2.5666e-06 0.0000e+00 + 2 react 1.6000e-02 -0.7177 -0.0600 -2.5789 -7.7545 1.1000e+00 8.3716e-03 1.8562e-01 1.4663e-03 6.6448e-03 2.0062e-05 0.0000e+00 + 2 react 3.2000e-02 -0.5499 -0.1104 -2.1267 -7.6103 1.1000e+00 2.1071e-02 4.6708e-01 5.4325e-03 1.4890e-02 1.4303e-04 0.0000e+00 + 2 react 6.4000e-02 -0.4348 -0.1673 -1.7737 -7.4983 1.1000e+00 5.0849e-02 1.1269e+00 1.7088e-02 3.1521e-02 7.7795e-04 0.0000e+00 + 2 react 1.2500e-01 -0.3738 -0.2103 -1.5954 -7.4481 1.1000e+00 1.1309e-01 2.5058e+00 4.3732e-02 6.3499e-02 2.6085e-03 0.0000e+00 + 2 react 2.5000e-01 -0.3427 -0.2370 -1.5129 -7.4285 1.1000e+00 2.4478e-01 5.4232e+00 1.0169e-01 1.2922e-01 6.8273e-03 0.0000e+00 + 2 react 5.0000e-01 -0.3277 -0.2513 -1.4759 -7.4210 1.1000e+00 5.1044e-01 1.1309e+01 2.1950e-01 2.6076e-01 1.5504e-02 0.0000e+00 + 2 react 1.0000e+00 -0.3204 -0.2586 -1.4585 -7.4178 1.1000e+00 1.0429e+00 2.3104e+01 4.5606e-01 5.2388e-01 3.2968e-02 0.0000e+00 + 3 i_gas -99 -1.5001 -21.5512 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 + 3 react 1.0000e-03 -1.4939 -3.2574 -4.4529 -9.5994 6.4111e-02 6.0800e-02 2.3190e+01 3.0424e-02 5.2421e-04 3.3415e-05 0.0000e+00 + 3 react 2.0000e-03 -1.4874 -2.9563 -4.1504 -9.3376 6.5180e-02 6.1814e-02 2.3190e+01 3.0880e-02 1.0486e-03 6.7058e-05 0.0000e+00 + 3 react 3.0000e-03 -1.4811 -2.7802 -3.9735 -9.1856 6.6249e-02 6.2828e-02 2.3190e+01 3.1336e-02 1.5730e-03 1.0076e-04 0.0000e+00 + 3 react 4.0000e-03 -1.4748 -2.6552 -3.8481 -9.0783 6.7318e-02 6.3843e-02 2.3190e+01 3.1792e-02 2.0975e-03 1.3450e-04 0.0000e+00 + 3 react 8.0000e-03 -1.4506 -2.3542 -3.5462 -8.8236 7.1596e-02 6.7900e-02 2.3190e+01 3.3615e-02 4.1953e-03 2.6955e-04 0.0000e+00 + 3 react 1.6000e-02 -1.4059 -2.0531 -3.2448 -8.5767 8.0152e-02 7.6015e-02 2.3190e+01 3.7262e-02 8.3911e-03 5.3964e-04 0.0000e+00 + 3 react 3.2000e-02 -1.3283 -1.7522 -2.9440 -8.3426 9.7258e-02 9.2242e-02 2.3190e+01 4.4554e-02 1.6782e-02 1.0786e-03 0.0000e+00 + 3 react 6.4000e-02 -1.2055 -1.4513 -2.6442 -8.1259 1.3145e-01 1.2468e-01 2.3190e+01 5.9133e-02 3.3559e-02 2.1514e-03 0.0000e+00 + 3 react 1.2500e-01 -1.0385 -1.1608 -2.3557 -7.9353 1.9656e-01 1.8647e-01 2.3190e+01 8.6908e-02 6.5529e-02 4.1813e-03 0.0000e+00 + 3 react 2.5000e-01 -0.8204 -0.8602 -2.0578 -7.7555 3.2978e-01 3.1300e-01 2.3190e+01 1.4379e-01 1.3102e-01 8.3061e-03 0.0000e+00 + 3 react 5.0000e-01 -0.5684 -0.5600 -1.7598 -7.5885 5.9573e-01 5.6594e-01 2.3190e+01 2.5750e-01 2.6196e-01 1.6510e-02 0.0000e+00 + 3 react 1.0000e+00 -0.2955 -0.2603 -1.4608 -7.4289 1.1262e+00 1.0719e+00 2.3190e+01 4.8499e-01 5.2384e-01 3.2922e-02 0.0000e+00 diff --git a/ex8.out b/ex8.out index 3ab92227..37d31d32 100644 --- a/ex8.out +++ b/ex8.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------ diff --git a/ex9.out b/ex9.out index 431aa3d0..349afdd3 100644 --- a/ex9.out +++ b/ex9.out @@ -13,7 +13,7 @@ Reading data base. EXCHANGE_SPECIES SURFACE_MASTER_SPECIES SURFACE_SPECIES - CALCULATE_VALUES + MEAN_GAMMAS RATES END ------------------------------------