From e0ccb498289b532089c6573be65aa217611a141e Mon Sep 17 00:00:00 2001 From: David L Parkhurst Date: Mon, 12 Aug 2013 18:41:20 +0000 Subject: [PATCH] Using latest pitzer.dat. Some files replaced with Linux files git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7917 1feff8c3-07ed-0310-ac33-dd36852eb9cd --- ex12a.out | 2 +- ex13ac.out | 2 +- ex15.out | 2 +- ex15a.out | 2 +- ex15b.out | 2 +- ex17b.out | 68 +++++++++++++++++++++++++++--------------------------- ex20a.out | 2 +- ex21.out | 2 +- ex3.out | 2 +- ex8.out | 2 +- 10 files changed, 43 insertions(+), 43 deletions(-) diff --git a/ex12a.out b/ex12a.out index 6b796cea..f39e2d2f 100644 --- a/ex12a.out +++ b/ex12a.out @@ -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. ------------------------------ diff --git a/ex13ac.out b/ex13ac.out index 1d3539fe..5970c8c7 100644 --- a/ex13ac.out +++ b/ex13ac.out @@ -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. ------------------------------ diff --git a/ex15.out b/ex15.out index 62582934..cf213f63 100644 --- a/ex15.out +++ b/ex15.out @@ -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. ------------------------------- diff --git a/ex15a.out b/ex15a.out index bfedf0bf..f94e197b 100644 --- a/ex15a.out +++ b/ex15a.out @@ -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. ------------------------------- diff --git a/ex15b.out b/ex15b.out index b90409ab..162ec3e5 100644 --- a/ex15b.out +++ b/ex15b.out @@ -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. ------------------------------- diff --git a/ex17b.out b/ex17b.out index 0b6ab49b..9e301166 100644 --- a/ex17b.out +++ b/ex17b.out @@ -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. ------------------------------ diff --git a/ex20a.out b/ex20a.out index a621310d..9a2ec616 100644 --- a/ex20a.out +++ b/ex20a.out @@ -451,6 +451,6 @@ Reading input data for simulation 4. ------------------------------------ ------------------------------ -End of Run after 0.16 Seconds. +End of Run after 0.15 Seconds. ------------------------------ diff --git a/ex21.out b/ex21.out index 0b6a784a..f4daabe4 100644 --- a/ex21.out +++ b/ex21.out @@ -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. ------------------------------- diff --git a/ex3.out b/ex3.out index 9da9981e..e6ff26f1 100644 --- a/ex3.out +++ b/ex3.out @@ -819,6 +819,6 @@ Reading input data for simulation 6. ------------------------------------ ------------------------------ -End of Run after 0.01 Seconds. +End of Run after 0.02 Seconds. ------------------------------ diff --git a/ex8.out b/ex8.out index dc1ca0bc..7c547bda 100644 --- a/ex8.out +++ b/ex8.out @@ -3880,6 +3880,6 @@ Reading input data for simulation 34. ------------------------------------- ------------------------------ -End of Run after 0.05 Seconds. +End of Run after 0.04 Seconds. ------------------------------