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Squashed 'examples/' changes from 8bf42359..09d4a0ba
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09d4a0ba [phreeqc3] (NH4)2SO4 database update from Tony

git-subtree-dir: examples
git-subtree-split: 09d4a0ba8e3de3165be534cfe76128a746b8e306
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Darth Vader committed Nov 21, 2024
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24 changes: 12 additions & 12 deletions ex1.out
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Original file line number Diff line number Diff line change
Expand Up @@ -142,7 +142,7 @@ Initial solution 1. SEAWATER FROM NORDSTROM AND OTHERS (1979)

Redox couple pe Eh (volts)

N(-3)/N(5) 4.6747 0.2765
N(-3)/N(5) 4.6753 0.2766
O(-2)/O(0) 12.4061 0.7339

----------------------------Distribution of species----------------------------
Expand Down Expand Up @@ -239,9 +239,9 @@ Mn(2) 3.773e-09
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
NH4+ 1.601e-06 9.008e-07 -5.796 -6.045 -0.250 18.48
NH3 7.301e-08 8.519e-08 -7.137 -7.070 0.067 24.42
NH4SO4- 4.978e-08 2.520e-08 -7.303 -7.599 -0.296 26.92
N(5) 4.847e-06
NO3- 4.847e-06 2.847e-06 -5.314 -5.546 -0.231 30.29
Mn(NO3)2 1.349e-20 1.574e-20 -19.870 -19.803 0.067 41.04
Expand All @@ -258,7 +258,7 @@ S(6) 2.926e-02
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
NH4SO4- 4.978e-08 2.520e-08 -7.303 -7.599 -0.296 26.92
HSO4- 1.351e-09 1.008e-09 -8.869 -8.996 -0.127 40.96
MnSO4 1.279e-10 1.493e-10 -9.893 -9.826 0.067 22.54
CaHSO4+ 4.048e-11 3.021e-11 -10.393 -10.520 -0.127 (0)
Expand All @@ -271,12 +271,12 @@ Si 7.382e-05
H4SiO4 7.062e-05 8.241e-05 -4.151 -4.084 0.067 52.08
H3SiO4- 3.205e-06 2.017e-06 -5.494 -5.695 -0.201 28.72
H2SiO4-2 1.092e-10 2.276e-11 -9.962 -10.643 -0.681 (0)
U(4) 9.706e-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(4) 9.680e-22
U(OH)5- 9.679e-22 7.224e-22 -21.014 -21.141 -0.127 (0)
U(OH)4 1.546e-25 1.804e-25 -24.811 -24.744 0.067 (0)
U+4 0.000e+00 0.000e+00 -47.019 -49.052 -2.032 (0)
U(5) 1.519e-18
UO2+ 1.519e-18 1.134e-18 -17.818 -17.945 -0.127 (0)
U(6) 1.437e-08
UO2(CO3)3-4 1.259e-08 1.169e-10 -7.900 -9.932 -2.032 (0)
UO2(CO3)2-2 1.767e-09 5.484e-10 -8.753 -9.261 -0.508 (0)
Expand Down Expand Up @@ -313,7 +313,7 @@ U(6) 1.437e-08
Manganite 2.40 27.74 25.34 MnOOH
Melanterite -19.57 -21.77 -2.21 FeSO4:7H2O
Mirabilite -2.55 -3.79 -1.24 Na2SO4:10H2O
NH3(g) -8.86 -7.07 1.80 NH3
NH3(g) -8.87 -7.07 1.80 NH3
O2(g) -0.70 -3.59 -2.89 O2 Pressure 0.2 atm, phi 1.000
Pyrochroite -8.09 7.11 15.20 Mn(OH)2
Pyrolusite 6.97 48.35 41.38 MnO2:H2O
Expand Down
30 changes: 15 additions & 15 deletions ex4.out
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Original file line number Diff line number Diff line change
Expand Up @@ -115,7 +115,7 @@ Ca 9.581e-06
Ca+2 9.560e-06 9.153e-06 -5.020 -5.038 -0.019 -18.22
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
CaHCO3+ 5.402e-12 5.344e-12 -11.267 -11.272 -0.005 122.62
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
CaHSO4+ 4.408e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
CaOH+ 4.856e-14 4.804e-14 -13.314 -13.318 -0.005 (0)
CaCO3 3.451e-15 3.451e-15 -14.462 -14.462 0.000 -14.60
Cl 6.657e-06
Expand All @@ -129,33 +129,33 @@ K 9.207e-07
KHCO3 6.155e-14 6.155e-14 -13.211 -13.211 0.000 41.03
Mg 1.769e-06
Mg+2 1.763e-06 1.688e-06 -5.754 -5.773 -0.019 -21.90
MgSO4 5.697e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
MgSO4 5.696e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
MgHCO3+ 3.022e-12 2.989e-12 -11.520 -11.524 -0.005 5.46
Mg(SO4)2-2 2.525e-13 2.419e-13 -12.598 -12.616 -0.019 -15.61
Mg(SO4)2-2 2.525e-13 2.418e-13 -12.598 -12.616 -0.019 -15.61
MgOH+ 1.959e-13 1.938e-13 -12.708 -12.713 -0.005 (0)
MgCO3 3.616e-16 3.616e-16 -15.442 -15.442 0.000 -17.09
N(-3) 1.485e-05
NH4+ 1.485e-05 1.469e-05 -4.828 -4.833 -0.005 17.87
NH4SO4- 2.442e-09 2.416e-09 -8.612 -8.617 -0.005 -13.83
NH4+ 1.485e-05 1.468e-05 -4.828 -4.833 -0.005 17.87
NH4SO4- 3.111e-09 3.077e-09 -8.507 -8.512 -0.005 -14.54
NH3 2.646e-10 2.646e-10 -9.577 -9.577 0.000 24.42
N(5) 1.692e-05
NO3- 1.692e-05 1.674e-05 -4.772 -4.776 -0.005 29.47
Na 6.133e-06
Na+ 6.132e-06 6.065e-06 -5.212 -5.217 -0.005 -1.51
NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
NaSO4- 1.286e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
NaHCO3 7.995e-13 7.995e-13 -12.097 -12.097 0.000 31.73
O(0) 0.000e+00
O2 0.000e+00 0.000e+00 -52.080 -52.080 0.000 30.40
S(6) 1.353e-05
SO4-2 1.346e-05 1.289e-05 -4.871 -4.890 -0.019 14.77
HSO4- 4.006e-08 3.963e-08 -7.397 -7.402 -0.005 40.26
CaSO4 2.098e-08 2.098e-08 -7.678 -7.678 0.000 7.50
MgSO4 5.697e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
NH4SO4- 2.442e-09 2.416e-09 -8.612 -8.617 -0.005 -13.83
NaSO4- 1.287e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
MgSO4 5.696e-09 5.697e-09 -8.244 -8.244 0.000 -7.92
NH4SO4- 3.111e-09 3.077e-09 -8.507 -8.512 -0.005 -14.54
NaSO4- 1.286e-09 1.273e-09 -8.891 -8.895 -0.005 -24.48
KSO4- 1.805e-10 1.786e-10 -9.744 -9.748 -0.005 14.12
CaHSO4+ 4.409e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
Mg(SO4)2-2 2.525e-13 2.419e-13 -12.598 -12.616 -0.019 -15.61
CaHSO4+ 4.408e-12 4.361e-12 -11.356 -11.360 -0.005 (0)
Mg(SO4)2-2 2.525e-13 2.418e-13 -12.598 -12.616 -0.019 -15.61

------------------------------Saturation indices-------------------------------

Expand Down Expand Up @@ -285,7 +285,7 @@ Mg 3.536e-05
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90
NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55
NH4SO4- 0.000e+00 0.000e+00 -50.907 -50.927 -0.019 -5.79
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
Expand Down Expand Up @@ -313,7 +313,7 @@ S(6) 2.706e-04
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55
NH4SO4- 0.000e+00 0.000e+00 -50.907 -50.927 -0.019 -5.79

------------------------------Saturation indices-------------------------------

Expand Down Expand Up @@ -455,7 +455,7 @@ Mg 3.536e-05
MgCO3 2.448e-16 2.449e-16 -15.611 -15.611 0.000 -17.09
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -48.437 -48.457 -0.019 17.90
NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55
NH4SO4- 0.000e+00 0.000e+00 -50.907 -50.927 -0.019 -5.79
NH3 0.000e+00 0.000e+00 -54.553 -54.553 0.000 24.42
N(0) 4.751e-04
N2 2.375e-04 2.376e-04 -3.624 -3.624 0.000 29.29
Expand Down Expand Up @@ -483,7 +483,7 @@ S(6) 2.706e-04
KSO4- 5.808e-08 5.568e-08 -7.236 -7.254 -0.018 14.15
CaHSO4+ 2.828e-08 2.707e-08 -7.549 -7.568 -0.019 (0)
Mg(SO4)2-2 1.263e-09 1.067e-09 -8.899 -8.972 -0.073 -2.63
NH4SO4- 0.000e+00 0.000e+00 -51.013 -51.032 -0.019 -9.55
NH4SO4- 0.000e+00 0.000e+00 -50.907 -50.927 -0.019 -5.79

------------------------------Saturation indices-------------------------------

Expand Down

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