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Using latest pitzer.dat. Some files replaced with Linux files

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git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7917 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2013-08-12 18:41:20 +00:00
parent f47adf21f2
commit e0ccb49828
10 changed files with 43 additions and 43 deletions
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2
ex12a.out
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@ -166,6 +166,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11
------------------------------
End of Run after 1.26 Seconds.
End of Run after 1.25 Seconds.
------------------------------

2
ex13ac.out
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@ -848,6 +848,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
-end
END
------------------------------
End of Run after 0.57 Seconds.
End of Run after 0.56 Seconds.
------------------------------

2
ex15.out
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@ -213,6 +213,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 11.36 Seconds.
End of Run after 11.35 Seconds.
-------------------------------

2
ex15a.out
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@ -190,6 +190,6 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH.
shifts 110
END
-------------------------------
End of Run after 11.39 Seconds.
End of Run after 11.32 Seconds.
-------------------------------

2
ex15b.out
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@ -187,6 +187,6 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20.
shifts 110
END
-------------------------------
End of Run after 11.41 Seconds.
End of Run after 11.36 Seconds.
-------------------------------

68
ex17b.out
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@ -1293,7 +1293,7 @@ Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.23 -4.45 -4.22 0.000e+00 0 0.000e+00
Bischofite -4.59 -0.14 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.497e-06
Calcite -0.00 -8.41 -8.41 4.038e-04 4.067e-04 2.917e-06
Calcite 0.00 -8.41 -8.41 4.038e-04 4.067e-04 2.917e-06
Carnallite -5.52 -1.19 4.33 0.000e+00 0 0.000e+00
Epsomite -1.72 -3.60 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.90 -6.15 -5.25 0.000e+00 0 0.000e+00
@ -1381,7 +1381,7 @@ S(6) 1.466e-01
Bloedite -2.76 -5.11 -2.35 Na2Mg(SO4)2:4H2O
Brucite -2.64 -13.52 -10.88 Mg(OH)2
Burkeite -8.28 -9.05 -0.77 Na6CO3(SO4)2
Calcite -0.00 -8.41 -8.41 CaCO3
Calcite 0.00 -8.41 -8.41 CaCO3
Carnallite -5.52 -1.19 4.33 KMgCl3:6H2O
CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000
Dolomite 1.57 -15.51 -17.08 CaMg(CO3)2
@ -1755,7 +1755,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.290e-06
Calcite 0.00 -8.41 -8.41 3.988e-04 3.955e-04 -3.298e-06
Carnallite -3.16 1.17 4.33 0.000e+00 0 0.000e+00
Epsomite -0.99 -2.87 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.25 -5.25 0.000e+00 2.083e-03 2.083e-03
Glauberite 0.00 -5.25 -5.25 0.000e+00 2.083e-03 2.083e-03
Gypsum 0.00 -4.58 -4.58 4.974e-03 3.136e-03 -1.838e-03
Halite 0.00 1.57 1.57 2.351e-02 1.304e-01 1.069e-01
Hexahydrite -1.10 -2.73 -1.63 0.000e+00 0 0.000e+00
@ -1847,7 +1847,7 @@ S(6) 2.948e-01
Epsomite -0.99 -2.87 -1.88 MgSO4:7H2O
Gaylussite -4.70 -14.12 -9.42 CaNa2(CO3)2:5H2O
Glaserite -3.32 -7.13 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.64 -0.14 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
@ -2061,7 +2061,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.509e-06
Calcite 0.00 -8.41 -8.41 3.925e-04 3.859e-04 -6.523e-06
Carnallite -2.63 1.70 4.33 0.000e+00 0 0.000e+00
Epsomite -0.71 -2.59 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.24 -5.25 2.596e-03 2.950e-03 3.537e-04
Glauberite 0.00 -5.25 -5.25 2.596e-03 2.950e-03 3.537e-04
Gypsum 0.00 -4.58 -4.58 2.681e-03 2.388e-03 -2.931e-04
Halite 0.00 1.57 1.57 1.570e-01 1.834e-01 2.649e-02
Hexahydrite -0.81 -2.44 -1.63 0.000e+00 0 0.000e+00
@ -2153,7 +2153,7 @@ S(6) 3.869e-01
Epsomite -0.71 -2.59 -1.88 MgSO4:7H2O
Gaylussite -4.78 -14.20 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.68 -6.48 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.24 -5.25 Na2Ca(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.65 -0.15 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
@ -2214,7 +2214,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.369e-06
Calcite 0.00 -8.41 -8.41 3.859e-04 3.759e-04 -1.002e-05
Carnallite -2.34 1.99 4.33 0.000e+00 0 0.000e+00
Epsomite -0.56 -2.44 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 2.950e-03 2.985e-03 3.518e-05
Glauberite 0.00 -5.24 -5.25 2.950e-03 2.985e-03 3.518e-05
Gypsum 0.00 -4.58 -4.58 2.388e-03 2.400e-03 1.153e-05
Halite 0.00 1.57 1.57 1.834e-01 2.021e-01 1.862e-02
Hexahydrite -0.65 -2.29 -1.63 0.000e+00 0 0.000e+00
@ -2306,7 +2306,7 @@ S(6) 4.638e-01
Epsomite -0.56 -2.44 -1.88 MgSO4:7H2O
Gaylussite -4.85 -14.27 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.34 -6.15 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Glauberite 0.00 -5.24 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.15 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
@ -2516,11 +2516,11 @@ Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.04 -4.26 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.51 1.95 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.686e-07
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.685e-07
Calcite 0.00 -8.41 -8.41 3.713e-04 3.664e-04 -4.913e-06
Carnallite -2.16 2.17 4.33 0.000e+00 0 0.000e+00
Epsomite -0.45 -2.33 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.00 -5.25 -5.25 2.933e-03 2.610e-03 -3.225e-04
Glauberite 0.00 -5.25 -5.25 2.933e-03 2.610e-03 -3.225e-04
Gypsum 0.00 -4.58 -4.58 2.467e-03 2.497e-03 3.042e-05
Halite 0.00 1.57 1.57 2.074e-01 2.128e-01 5.488e-03
Hexahydrite -0.54 -2.17 -1.63 0.000e+00 0 0.000e+00
@ -2555,7 +2555,7 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 1.531e-04 1.531e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.253e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.18
Iterations = 19
Iterations = 24
Gamma iterations = 5
Osmotic coefficient = 1.68679
Density of water = 0.99704
@ -2612,7 +2612,7 @@ S(6) 5.312e-01
Epsomite -0.45 -2.33 -1.88 MgSO4:7H2O
Gaylussite -4.90 -14.32 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.20 -6.00 -3.80 NaK3(SO4)2
Glauberite -0.00 -5.25 -5.25 Na2Ca(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
@ -2673,7 +2673,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.025e-07
Calcite 0.00 -8.41 -8.41 3.664e-04 3.618e-04 -4.523e-06
Carnallite -2.14 2.19 4.33 0.000e+00 0 0.000e+00
Epsomite -0.40 -2.28 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 2.610e-03 1.902e-03 -7.086e-04
Glauberite 0.00 -5.24 -5.25 2.610e-03 1.902e-03 -7.086e-04
Gypsum 0.00 -4.58 -4.58 2.497e-03 2.438e-03 -5.928e-05
Halite 0.00 1.57 1.57 2.128e-01 2.186e-01 5.791e-03
Hexahydrite -0.49 -2.12 -1.63 0.000e+00 0 0.000e+00
@ -2765,7 +2765,7 @@ S(6) 5.641e-01
Epsomite -0.40 -2.28 -1.88 MgSO4:7H2O
Gaylussite -4.92 -14.34 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.31 -6.12 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Glauberite 0.00 -5.24 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.66 -0.16 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
@ -2826,7 +2826,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.732e-07
Calcite 0.00 -8.41 -8.41 3.618e-04 3.555e-04 -6.328e-06
Carnallite -2.11 2.22 4.33 0.000e+00 0 0.000e+00
Epsomite -0.34 -2.22 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.25 -5.25 1.902e-03 1.189e-03 -7.123e-04
Glauberite 0.00 -5.24 -5.25 1.902e-03 1.189e-03 -7.123e-04
Gypsum 0.00 -4.58 -4.58 2.438e-03 2.428e-03 -9.561e-06
Halite 0.00 1.57 1.57 2.186e-01 2.244e-01 5.772e-03
Hexahydrite -0.42 -2.06 -1.63 0.000e+00 0 0.000e+00
@ -2918,7 +2918,7 @@ S(6) 6.065e-01
Epsomite -0.34 -2.22 -1.88 MgSO4:7H2O
Gaylussite -4.95 -14.37 -9.42 CaNa2(CO3)2:5H2O
Glaserite -2.45 -6.25 -3.80 NaK3(SO4)2
Glauberite 0.00 -5.25 -5.25 Na2Ca(SO4)2
Glauberite 0.00 -5.24 -5.25 Na2Ca(SO4)2
Gypsum 0.00 -4.58 -4.58 CaSO4:2H2O
H2O(g) -1.67 -0.16 1.50 H2O
Halite 0.00 1.57 1.57 NaCl
@ -2975,12 +2975,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta
Anhydrite -0.02 -4.25 -4.22 0.000e+00 0 0.000e+00
Bischofite -2.33 2.12 4.46 0.000e+00 0 0.000e+00
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.254e-07
Calcite 0.00 -8.41 -8.41 3.555e-04 3.505e-04 -5.044e-06
CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.301e-07
Calcite 0.00 -8.41 -8.41 3.555e-04 3.505e-04 -5.049e-06
Carnallite -2.09 2.24 4.33 0.000e+00 0 0.000e+00
Epsomite -0.30 -2.18 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.24 -5.25 1.189e-03 7.560e-04 -4.335e-04
Gypsum 0.00 -4.58 -4.58 2.428e-03 2.454e-03 2.615e-05
Glauberite 0.00 -5.24 -5.25 1.189e-03 7.559e-04 -4.335e-04
Gypsum 0.00 -4.58 -4.58 2.428e-03 2.454e-03 2.616e-05
Halite 0.00 1.57 1.57 2.244e-01 2.279e-01 3.455e-03
Hexahydrite -0.38 -2.02 -1.63 0.000e+00 0 0.000e+00
Kieserite -1.06 -1.18 -0.12 0.000e+00 0 0.000e+00
@ -3014,8 +3014,8 @@ Polyhalite 0.00 -13.74 -13.74 9.115e-04 1.120e-03 2.086e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.253e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.40
Iterations = 22
Gamma iterations = 5
Iterations = 7
Gamma iterations = 3
Osmotic coefficient = 1.79063
Density of water = 0.99704
Total H = 1.186940e+00
@ -3035,7 +3035,7 @@ Br 4.116e-02
C(4) 7.390e-03
MgCO3 5.657e-03 5.657e-03 -2.247 -2.247 0.000 -17.09
HCO3- 1.144e-03 8.714e-05 -2.942 -4.060 -1.118 46.67
CO3-2 5.865e-04 1.025e-07 -3.232 -6.989 -3.758 14.36
CO3-2 5.865e-04 1.025e-07 -3.232 -6.989 -3.758 14.35
CO2 2.736e-06 1.093e-05 -5.563 -4.961 0.601 29.09
Ca 3.753e-03
Ca+2 3.753e-03 3.829e-02 -2.426 -1.417 1.009 -12.51
@ -3132,7 +3132,7 @@ CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.758e-07
Calcite 0.00 -8.41 -8.41 3.505e-04 3.441e-04 -6.372e-06
Carnallite -2.07 2.26 4.33 0.000e+00 0 0.000e+00
Epsomite -0.26 -2.14 -1.88 0.000e+00 0 0.000e+00
Glauberite 0.00 -5.24 -5.25 7.560e-04 3.135e-04 -4.425e-04
Glauberite 0.00 -5.24 -5.25 7.559e-04 3.135e-04 -4.425e-04
Gypsum 0.00 -4.58 -4.58 2.454e-03 2.512e-03 5.733e-05
Halite 0.00 1.57 1.57 2.279e-01 2.313e-01 3.450e-03
Hexahydrite -0.34 -1.97 -1.63 0.000e+00 0 0.000e+00
@ -3286,11 +3286,11 @@ Calcite 0.00 -8.41 -8.41 3.441e-04 3.370e-04 -7.127e-06
Carnallite -2.04 2.29 4.33 0.000e+00 0 0.000e+00
Epsomite -0.22 -2.10 -1.88 0.000e+00 0 0.000e+00
Glauberite -0.01 -5.25 -5.25 3.135e-04 0 -3.135e-04
Gypsum 0.00 -4.58 -4.58 2.512e-03 2.489e-03 -2.242e-05
Gypsum 0.00 -4.58 -4.58 2.512e-03 2.489e-03 -2.243e-05
Halite 0.00 1.57 1.57 2.313e-01 2.346e-01 3.242e-03
Hexahydrite -0.29 -1.92 -1.63 0.000e+00 0 0.000e+00
Kieserite -0.93 -1.06 -0.12 0.000e+00 0 0.000e+00
Polyhalite 0.00 -13.74 -13.74 1.318e-03 1.492e-03 1.736e-04
Polyhalite -0.00 -13.74 -13.74 1.318e-03 1.492e-03 1.736e-04
-----------------------------Solution composition------------------------------
@ -3310,7 +3310,7 @@ Polyhalite 0.00 -13.74 -13.74 1.318e-03 1.492e-03 1.736e-04
pH = 7.403 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 595557
Density (g/cm3) = 1.26218
Density (g/cm3) = 1.26219
Volume (L) = 0.01108
Activity of water = 0.671
Ionic strength = 1.116e+01
@ -3320,8 +3320,8 @@ Polyhalite 0.00 -13.74 -13.74 1.318e-03 1.492e-03 1.736e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.253e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.53
Iterations = 25
Gamma iterations = 5
Iterations = 8
Gamma iterations = 3
Osmotic coefficient = 1.86224
Density of water = 0.99704
Total H = 1.065313e+00
@ -3396,7 +3396,7 @@ S(6) 7.101e-01
Nesquehonite -0.41 -5.58 -5.17 MgCO3:3H2O
Pentahydrite -0.47 -1.75 -1.28 MgSO4:5H2O
Pirssonite -4.71 -13.95 -9.23 Na2Ca(CO3)2:2H2O
Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O
Portlandite -9.74 -14.93 -5.19 Ca(OH)2
Schoenite -1.64 -5.97 -4.33 K2Mg(SO4)2:6H2O
Sylvite -0.84 0.06 0.90 KCl
@ -3479,8 +3479,8 @@ Polyhalite 0.00 -13.74 -13.74 1.492e-03 1.618e-03 1.263e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.253e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.59
Iterations = 13
Gamma iterations = 13
Iterations = 14
Gamma iterations = 14
Osmotic coefficient = 1.90718
Density of water = 0.99704
Total H = 1.010988e+00
@ -3632,7 +3632,7 @@ Polyhalite 0.00 -13.74 -13.74 1.618e-03 1.729e-03 1.111e-04
Temperature (deg C) = 25.00
Electrical balance (eq) = 2.253e-03
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.66
Iterations = 8
Iterations = 9
Gamma iterations = 3
Osmotic coefficient = 1.96132
Density of water = 0.99704
@ -3728,6 +3728,6 @@ Reading input data for simulation 2.
------------------------------------
------------------------------
End of Run after 0.35 Seconds.
End of Run after 0.34 Seconds.
------------------------------

2
ex20a.out
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@ -451,6 +451,6 @@ Reading input data for simulation 4.
------------------------------------
------------------------------
End of Run after 0.16 Seconds.
End of Run after 0.15 Seconds.
------------------------------

2
ex21.out
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@ -961,6 +961,6 @@ WARNING: No dispersivities were read; disp = 0 assumed.
END
END
-------------------------------
End of Run after 20.93 Seconds.
End of Run after 20.96 Seconds.
-------------------------------

2
ex3.out
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@ -819,6 +819,6 @@ Reading input data for simulation 6.
------------------------------------
------------------------------
End of Run after 0.01 Seconds.
End of Run after 0.02 Seconds.
------------------------------

2
ex8.out
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@ -3880,6 +3880,6 @@ Reading input data for simulation 34.
-------------------------------------
------------------------------
End of Run after 0.05 Seconds.
End of Run after 0.04 Seconds.
------------------------------