From 3c88e50ce057bb039d841a581056324f7d6ebad6 Mon Sep 17 00:00:00 2001 From: David L Parkhurst Date: Tue, 30 Apr 2013 16:16:37 +0000 Subject: [PATCH] source 7663 git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/trunk@7664 1feff8c3-07ed-0310-ac33-dd36852eb9cd --- ex11.out | 2 +- ex12.out | 2 +- ex12a.out | 6 +- ex13ac.out | 6 +- ex13c.out | 6 +- ex15.out | 4 +- ex15a.out | 8 +- ex15b.out | 2 +- ex17.out | 78 ++-- ex17b.out | 1160 +++++++++++++++++++++++++++------------------------- ex20b.out | 4 +- ex21.out | 4 +- ex7.out | 36 +- ex7.sel | 6 +- ex8.out | 2 +- 15 files changed, 676 insertions(+), 650 deletions(-) diff --git a/ex11.out b/ex11.out index 04171cdd..a9a6d652 100644 --- a/ex11.out +++ b/ex11.out @@ -208,6 +208,6 @@ Reading input data for simulation 3. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 40. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 40. ------------------------------ -End of Run after 4.12 Seconds. +End of Run after 4.07 Seconds. ------------------------------ diff --git a/ex12.out b/ex12.out index 964c07cf..73a5f3e3 100644 --- a/ex12.out +++ b/ex12.out @@ -53,6 +53,6 @@ Reading input data for simulation 1. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 60. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 60. ------------------------------ -End of Run after 1.48 Seconds. +End of Run after 1.46 Seconds. ------------------------------ diff --git a/ex12a.out b/ex12a.out index 412943ff..55080ce4 100644 --- a/ex12a.out +++ b/ex12a.out @@ -165,7 +165,7 @@ WARNING: No dispersivities were read; disp = 0 assumed. 7.5000e+00 1.0547e-05 1.2626e-06 -3.9008e-08 -2.6645e-09 8.5000e+00 3.8231e-06 2.9867e-07 -2.2212e-09 -8.8983e-11 ------------------------------ -End of Run after 1.3 Seconds. ------------------------------ +------------------------------ +End of Run after 1.29 Seconds. +------------------------------ diff --git a/ex13ac.out b/ex13ac.out index 5ce6c476..14bc44e9 100644 --- a/ex13ac.out +++ b/ex13ac.out @@ -841,7 +841,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. 30 plot_xy dist, TOT("Cl")*1000, color = Green, symbol = Plus -end END ------------------------------ -End of Run after 0.6 Seconds. ------------------------------ +------------------------------ +End of Run after 0.59 Seconds. +------------------------------ diff --git a/ex13c.out b/ex13c.out index 0740168c..51d7c5bb 100644 --- a/ex13c.out +++ b/ex13c.out @@ -770,7 +770,7 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. 20 GRAPH_Y TOT("Na")*1000 TOT("Cl")*1000 -end END ------------------------------ -End of Run after 0.4 Seconds. ------------------------------ +------------------------------ +End of Run after 0.39 Seconds. +------------------------------ diff --git a/ex15.out b/ex15.out index d3c96080..836fe8a5 100644 --- a/ex15.out +++ b/ex15.out @@ -207,12 +207,12 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. END -WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH. +WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. TRANSPORT Last 55 hours with background infilling solution shifts 110 END ------------------------------- -End of Run after 10.97 Seconds. +End of Run after 10.98 Seconds. ------------------------------- diff --git a/ex15a.out b/ex15a.out index 10237409..02ac835c 100644 --- a/ex15a.out +++ b/ex15a.out @@ -184,12 +184,12 @@ WARNING: Dispersivities were read for 1 cells. Last value is used till cell 10. WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 20. WARNING: Dispersivities were read for 1 cells. Last value is used till cell 20. END -WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH. +WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. TRANSPORT Last 55 hours with background infilling solution shifts 110 END ----------------------------- -End of Run after 11 Seconds. ----------------------------- +------------------------------- +End of Run after 10.96 Seconds. +------------------------------- diff --git a/ex15b.out b/ex15b.out index e03b2859..1eb494b0 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 10.96 Seconds. +End of Run after 10.99 Seconds. ------------------------------- diff --git a/ex17.out b/ex17.out index cc599dd7..895b82c8 100644 --- a/ex17.out +++ b/ex17.out @@ -78,7 +78,7 @@ Initial solution 1. Black Sea water Elements Molality Moles Br 4.401e-04 4.401e-04 - C 8.453e-04 8.453e-04 Equilibrium with CO2(g) + C 8.430e-04 8.430e-04 Equilibrium with CO2(g) Ca 5.841e-03 5.841e-03 Cl 2.930e-01 2.930e-01 K 4.960e-03 4.960e-03 @@ -90,23 +90,23 @@ Initial solution 1. Black Sea water pH = 8.000 pe = 4.000 - Specific Conductance (uS/cm, 25 oC) = 31362 + Specific Conductance (uS/cm, 25 oC) = 31361 Density (g/cm3) = 1.01094 Volume (L) = 1.00889 Activity of water = 0.990 Ionic strength = 3.752e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.684e-04 - Total CO2 (mol/kg) = 8.453e-04 + Total alkalinity (eq/kg) = 8.660e-04 + Total CO2 (mol/kg) = 8.430e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 9 Gamma iterations = 3 Osmotic coefficient = 0.89851 Density of water = 0.99704 Total H = 1.110132e+02 - Total O = 5.556983e+01 + Total O = 5.556982e+01 ----------------------------Distribution of species---------------------------- @@ -114,16 +114,16 @@ Initial solution 1. Black Sea water MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.663e-06 9.977e-07 -5.779 -6.001 -0.222 -2.99 + OH- 1.671e-06 1.002e-06 -5.777 -5.999 -0.222 -3.15 H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 0.00 H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07 Br 4.401e-04 Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 25.36 -C(4) 8.453e-04 - HCO3- 8.044e-04 4.944e-04 -3.095 -3.306 -0.211 25.95 - CO3-2 1.612e-05 2.264e-06 -4.793 -5.645 -0.853 -1.27 - MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09 - CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26 +C(4) 8.430e-04 + HCO3- 8.022e-04 4.931e-04 -3.096 -3.307 -0.211 25.95 + CO3-2 1.608e-05 2.258e-06 -4.794 -5.646 -0.853 -1.27 + MgCO3 1.437e-05 1.437e-05 -4.843 -4.843 0.000 -17.09 + CO2 1.033e-05 1.093e-05 -4.986 -4.961 0.024 29.09 Ca 5.841e-03 Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.97 Cl 2.930e-01 @@ -132,7 +132,7 @@ K 4.960e-03 K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.48 Mg 2.807e-02 Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.69 - MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09 + MgCO3 1.437e-05 1.437e-05 -4.843 -4.843 0.000 -17.09 MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0) Na 2.544e-01 Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -0.79 @@ -149,14 +149,14 @@ S(6) 1.527e-02 Arcanite -5.83 -7.61 -1.78 K2SO4 Bischofite -8.02 -3.57 4.46 MgCl2:6H2O Bloedite -6.62 -8.96 -2.35 Na2Mg(SO4)2:4H2O - Brucite -3.25 -14.13 -10.88 Mg(OH)2 + Brucite -3.24 -14.12 -10.88 Mg(OH)2 Burkeite -14.64 -15.41 -0.77 Na6CO3(SO4)2 Calcite -0.07 -8.48 -8.41 CaCO3 Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000. - Dolomite 0.84 -16.25 -17.08 CaMg(CO3)2 + Dolomite 0.83 -16.25 -17.08 CaMg(CO3)2 Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O - Gaylussite -6.19 -15.62 -9.42 CaNa2(CO3)2:5H2O + Gaylussite -6.20 -15.62 -9.42 CaNa2(CO3)2:5H2O Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2 Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2 Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O @@ -176,13 +176,14 @@ S(6) 1.527e-02 Natron -6.34 -7.16 -0.82 Na2CO3:10H2O Nesquehonite -2.62 -7.78 -5.17 MgCO3:3H2O Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O - Pirssonite -6.37 -15.60 -9.23 Na2Ca(CO3)2:2H2O + Pirssonite -6.37 -15.61 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -9.64 -14.83 -5.19 Ca(OH)2 Schoenite -8.10 -12.43 -4.33 K2Mg(SO4)2:6H2O Sylvite -4.07 -3.17 0.90 KCl Syngenite -5.67 -13.12 -7.45 K2Ca(SO4)2:H2O - Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O + Thenardite -3.80 -4.15 -0.35 Na2SO4 + Trona -10.13 -21.51 -11.38 Na3H(CO3)2:2H2O Initial solution 2. Composition during halite precipitation @@ -192,7 +193,7 @@ Initial solution 2. Composition during halite precipitation Elements Molality Moles Br 3.785e-02 3.785e-02 - C 7.206e-06 7.206e-06 Equilibrium with CO2(g) + C 7.187e-06 7.187e-06 Equilibrium with CO2(g) Cl 6.004e+00 6.004e+00 K 4.578e-01 4.578e-01 Mg 2.354e+00 2.354e+00 @@ -209,8 +210,8 @@ Initial solution 2. Composition during halite precipitation Activity of water = 0.681 Ionic strength = 1.111e+01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 7.758e-06 - Total CO2 (mol/kg) = 7.206e-06 + Total alkalinity (eq/kg) = 7.746e-06 + Total CO2 (mol/kg) = 7.187e-06 Temperature (deg C) = 25.00 Electrical balance (eq) = 4.629e-02 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.29 @@ -228,15 +229,15 @@ Initial solution 2. Composition during halite precipitation Species Molality Activity Molality Activity Gamma cm3/mol H+ 5.602e-07 1.000e-05 -6.252 -5.000 1.252 0.00 - OH- 1.205e-08 6.857e-10 -7.919 -9.164 -1.245 9.31 + OH- 1.211e-08 6.889e-10 -7.917 -9.162 -1.245 11.12 H2O 5.551e+01 6.806e-01 1.744 -0.167 0.000 18.07 Br 3.785e-02 Br- 3.785e-02 4.950e-02 -1.422 -1.305 0.116 27.92 -C(4) 7.206e-06 - HCO3- 4.558e-06 3.398e-07 -5.341 -6.469 -1.128 47.51 - CO2 2.575e-06 1.096e-05 -5.589 -4.960 0.629 30.26 - MgCO3 6.713e-08 6.713e-08 -7.173 -7.173 0.000 -17.09 - CO3-2 5.877e-09 1.556e-12 -8.231 -11.808 -3.577 14.84 +C(4) 7.187e-06 + HCO3- 4.546e-06 3.389e-07 -5.342 -6.470 -1.128 47.51 + CO2 2.568e-06 1.093e-05 -5.590 -4.961 0.629 29.09 + MgCO3 6.694e-08 6.694e-08 -7.174 -7.174 0.000 -17.09 + CO3-2 5.861e-09 1.552e-12 -8.232 -11.809 -3.577 14.84 Cl 6.004e+00 Cl- 6.004e+00 4.512e+00 0.778 0.654 -0.124 20.71 K 4.578e-01 @@ -244,7 +245,7 @@ K 4.578e-01 Mg 2.354e+00 Mg+2 2.354e+00 5.091e+01 0.372 1.707 1.335 -15.59 MgOH+ 6.271e-06 5.379e-06 -5.203 -5.269 -0.067 (0) - MgCO3 6.713e-08 6.713e-08 -7.173 -7.173 0.000 -17.09 + MgCO3 6.694e-08 6.694e-08 -7.174 -7.174 0.000 -17.09 Na 2.720e+00 Na+ 2.720e+00 8.671e+00 0.435 0.938 0.503 2.74 S(6) 8.986e-01 @@ -281,6 +282,7 @@ S(6) 8.986e-01 Pentahydrite -0.49 -1.77 -1.28 MgSO4:5H2O Schoenite -0.90 -5.23 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.57 0.33 0.90 KCl + Thenardite -0.42 -0.77 -0.35 Na2SO4 Trona -14.75 -26.14 -11.38 Na3H(CO3)2:2H2O @@ -294,23 +296,23 @@ Solution 1: Black Sea water Input Delta Input+Delta pH 8.000e+00 + 0.000e+00 = 8.000e+00 - Alkalinity 8.684e-04 + 0.000e+00 = 8.684e-04 + Alkalinity 8.660e-04 + 0.000e+00 = 8.660e-04 Br 4.401e-04 + 0.000e+00 = 4.401e-04 - C(4) 8.453e-04 + 0.000e+00 = 8.453e-04 + C(4) 8.430e-04 + 0.000e+00 = 8.430e-04 Ca 5.841e-03 + 0.000e+00 = 5.841e-03 Cl 2.930e-01 + 8.006e-04 = 2.938e-01 K 4.960e-03 + 1.034e-04 = 5.063e-03 Mg 2.807e-02 + -7.018e-04 = 2.737e-02 Na 2.544e-01 + 0.000e+00 = 2.544e-01 - S(6) 1.527e-02 + 7.486e-05 = 1.535e-02 + S(6) 1.527e-02 + 7.603e-05 = 1.535e-02 Solution 2: Composition during halite precipitation Input Delta Input+Delta pH 5.000e+00 + 0.000e+00 = 5.000e+00 - Alkalinity 7.758e-06 + -1.940e-07 = 7.564e-06 + Alkalinity 7.746e-06 + -1.936e-07 = 7.552e-06 Br 3.785e-02 + 9.440e-04 = 3.880e-02 - C(4) 7.206e-06 + 1.802e-07 = 7.387e-06 + C(4) 7.187e-06 + 1.797e-07 = 7.367e-06 Ca 0.000e+00 + 0.000e+00 = 0.000e+00 Cl 6.004e+00 + 1.501e-01 = 6.154e+00 K 4.578e-01 + -1.144e-02 = 4.464e-01 @@ -324,15 +326,15 @@ Solution fractions: Minimum Maximum Phase mole transfers: Minimum Maximum H2O(g) -4.837e+03 -4.817e+03 -4.817e+03 H2O - Calcite -3.827e-02 -3.923e-02 -3.716e-02 CaCO3 - CO2(g) -3.624e-02 -3.906e-02 -3.328e-02 CO2 - Gypsum -4.767e-01 -4.905e-01 -4.609e-01 CaSO4:2H2O + Calcite -3.817e-02 -3.912e-02 -3.706e-02 CaCO3 + CO2(g) -3.614e-02 -3.895e-02 -3.319e-02 CO2 + Gypsum -4.768e-01 -4.906e-01 -4.611e-01 CaSO4:2H2O Halite -1.975e+01 -2.033e+01 -1.901e+01 NaCl Redox mole transfers: -Sum of residuals (epsilons in documentation): 1.923e+02 -Sum of delta/uncertainty limit: 9.820e+00 +Sum of residuals (epsilons in documentation): 1.926e+02 +Sum of delta/uncertainty limit: 9.823e+00 Maximum fractional error in element concentration: 2.500e-02 Model contains minimum number of phases. diff --git a/ex17b.out b/ex17b.out index 992ed4e2..b8e50b88 100644 --- a/ex17b.out +++ b/ex17b.out @@ -80,7 +80,7 @@ Initial solution 1. Black Sea water Elements Molality Moles Br 4.401e-04 4.401e-04 - C 8.453e-04 8.453e-04 Equilibrium with CO2(g) + C 8.430e-04 8.430e-04 Equilibrium with CO2(g) Ca 5.841e-03 5.841e-03 Cl 2.930e-01 2.930e-01 K 4.960e-03 4.960e-03 @@ -92,23 +92,23 @@ Initial solution 1. Black Sea water pH = 8.000 pe = 4.000 - Specific Conductance (uS/cm, 25 oC) = 31362 + Specific Conductance (uS/cm, 25 oC) = 31361 Density (g/cm3) = 1.01094 Volume (L) = 1.00889 Activity of water = 0.990 Ionic strength = 3.752e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.684e-04 - Total CO2 (mol/kg) = 8.453e-04 + Total alkalinity (eq/kg) = 8.660e-04 + Total CO2 (mol/kg) = 8.430e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 9 Gamma iterations = 3 Osmotic coefficient = 0.89851 Density of water = 0.99704 Total H = 1.110132e+02 - Total O = 5.556983e+01 + Total O = 5.556982e+01 ----------------------------Distribution of species---------------------------- @@ -116,16 +116,16 @@ Initial solution 1. Black Sea water MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.663e-06 9.977e-07 -5.779 -6.001 -0.222 -2.99 + OH- 1.671e-06 1.002e-06 -5.777 -5.999 -0.222 -3.15 H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 0.00 H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07 Br 4.401e-04 Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 25.36 -C(4) 8.453e-04 - HCO3- 8.044e-04 4.944e-04 -3.095 -3.306 -0.211 25.95 - CO3-2 1.612e-05 2.264e-06 -4.793 -5.645 -0.853 -1.27 - MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09 - CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26 +C(4) 8.430e-04 + HCO3- 8.022e-04 4.931e-04 -3.096 -3.307 -0.211 25.95 + CO3-2 1.608e-05 2.258e-06 -4.794 -5.646 -0.853 -1.27 + MgCO3 1.437e-05 1.437e-05 -4.843 -4.843 0.000 -17.09 + CO2 1.033e-05 1.093e-05 -4.986 -4.961 0.024 29.09 Ca 5.841e-03 Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.97 Cl 2.930e-01 @@ -134,7 +134,7 @@ K 4.960e-03 K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.48 Mg 2.807e-02 Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.69 - MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09 + MgCO3 1.437e-05 1.437e-05 -4.843 -4.843 0.000 -17.09 MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0) Na 2.544e-01 Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -0.79 @@ -151,14 +151,14 @@ S(6) 1.527e-02 Arcanite -5.83 -7.61 -1.78 K2SO4 Bischofite -8.02 -3.57 4.46 MgCl2:6H2O Bloedite -6.62 -8.96 -2.35 Na2Mg(SO4)2:4H2O - Brucite -3.25 -14.13 -10.88 Mg(OH)2 + Brucite -3.24 -14.12 -10.88 Mg(OH)2 Burkeite -14.64 -15.41 -0.77 Na6CO3(SO4)2 Calcite -0.07 -8.48 -8.41 CaCO3 Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000. - Dolomite 0.84 -16.25 -17.08 CaMg(CO3)2 + Dolomite 0.83 -16.25 -17.08 CaMg(CO3)2 Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O - Gaylussite -6.19 -15.62 -9.42 CaNa2(CO3)2:5H2O + Gaylussite -6.20 -15.62 -9.42 CaNa2(CO3)2:5H2O Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2 Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2 Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O @@ -178,13 +178,14 @@ S(6) 1.527e-02 Natron -6.34 -7.16 -0.82 Na2CO3:10H2O Nesquehonite -2.62 -7.78 -5.17 MgCO3:3H2O Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O - Pirssonite -6.37 -15.60 -9.23 Na2Ca(CO3)2:2H2O + Pirssonite -6.37 -15.61 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -9.64 -14.83 -5.19 Ca(OH)2 Schoenite -8.10 -12.43 -4.33 K2Mg(SO4)2:6H2O Sylvite -4.07 -3.17 0.90 KCl Syngenite -5.67 -13.12 -7.45 K2Ca(SO4)2:H2O - Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O + Thenardite -3.80 -4.15 -0.35 Na2SO4 + Trona -10.13 -21.51 -11.38 Na3H(CO3)2:2H2O ----------------------------------------- @@ -234,7 +235,7 @@ Polyhalite -9.68 -23.43 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 4.401e-04 4.401e-04 - C 8.453e-04 8.453e-04 + C 8.430e-04 8.430e-04 Ca 5.841e-03 5.841e-03 Cl 2.930e-01 2.930e-01 K 4.960e-03 4.960e-03 @@ -246,23 +247,23 @@ Polyhalite -9.68 -23.43 -13.74 0.000e+00 0 0.000e+00 pH = 8.000 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 31362 + Specific Conductance (uS/cm, 25 oC) = 31361 Density (g/cm3) = 1.01094 Volume (L) = 1.00889 Activity of water = 0.990 Ionic strength = 3.752e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 8.684e-04 - Total CO2 (mol/kg) = 8.453e-04 + Total alkalinity (eq/kg) = 8.660e-04 + Total CO2 (mol/kg) = 8.430e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 1 Gamma iterations = 1 Osmotic coefficient = 0.89851 Density of water = 0.99704 Total H = 1.110132e+02 - Total O = 5.556983e+01 + Total O = 5.556982e+01 ----------------------------Distribution of species---------------------------- @@ -270,16 +271,16 @@ Polyhalite -9.68 -23.43 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.663e-06 9.977e-07 -5.779 -6.001 -0.222 -2.99 + OH- 1.671e-06 1.002e-06 -5.777 -5.999 -0.222 -3.15 H+ 1.290e-08 1.000e-08 -7.889 -8.000 -0.111 0.00 H2O 5.551e+01 9.903e-01 1.744 -0.004 0.000 18.07 Br 4.401e-04 Br- 4.401e-04 3.004e-04 -3.356 -3.522 -0.166 25.36 -C(4) 8.453e-04 - HCO3- 8.044e-04 4.944e-04 -3.095 -3.306 -0.211 25.95 - CO3-2 1.612e-05 2.264e-06 -4.793 -5.645 -0.853 -1.27 - MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09 - CO2 1.036e-05 1.096e-05 -4.985 -4.960 0.024 30.26 +C(4) 8.430e-04 + HCO3- 8.022e-04 4.931e-04 -3.096 -3.307 -0.211 25.95 + CO3-2 1.608e-05 2.258e-06 -4.794 -5.646 -0.853 -1.27 + MgCO3 1.437e-05 1.437e-05 -4.843 -4.843 0.000 -17.09 + CO2 1.033e-05 1.093e-05 -4.986 -4.961 0.024 29.09 Ca 5.841e-03 Ca+2 5.841e-03 1.473e-03 -2.233 -2.832 -0.598 -16.97 Cl 2.930e-01 @@ -288,7 +289,7 @@ K 4.960e-03 K+ 4.960e-03 3.418e-03 -2.305 -2.466 -0.162 9.48 Mg 2.807e-02 Mg+2 2.805e-02 7.511e-03 -1.552 -2.124 -0.572 -20.69 - MgCO3 1.441e-05 1.441e-05 -4.841 -4.841 0.000 -17.09 + MgCO3 1.437e-05 1.437e-05 -4.843 -4.843 0.000 -17.09 MgOH+ 1.244e-06 1.155e-06 -5.905 -5.938 -0.032 (0) Na 2.544e-01 Na+ 2.544e-01 1.836e-01 -0.595 -0.736 -0.142 -0.79 @@ -305,14 +306,14 @@ S(6) 1.527e-02 Arcanite -5.83 -7.61 -1.78 K2SO4 Bischofite -8.02 -3.57 4.46 MgCl2:6H2O Bloedite -6.62 -8.96 -2.35 Na2Mg(SO4)2:4H2O - Brucite -3.25 -14.13 -10.88 Mg(OH)2 + Brucite -3.24 -14.12 -10.88 Mg(OH)2 Burkeite -14.64 -15.41 -0.77 Na6CO3(SO4)2 Calcite -0.07 -8.48 -8.41 CaCO3 Carnallite -11.07 -6.74 4.33 KMgCl3:6H2O CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000. - Dolomite 0.84 -16.25 -17.08 CaMg(CO3)2 + Dolomite 0.83 -16.25 -17.08 CaMg(CO3)2 Epsomite -2.95 -4.83 -1.88 MgSO4:7H2O - Gaylussite -6.19 -15.62 -9.42 CaNa2(CO3)2:5H2O + Gaylussite -6.20 -15.62 -9.42 CaNa2(CO3)2:5H2O Glaserite -9.68 -13.48 -3.80 NaK3(SO4)2 Glauberite -4.41 -9.65 -5.25 Na2Ca(SO4)2 Gypsum -0.93 -5.51 -4.58 CaSO4:2H2O @@ -332,13 +333,14 @@ S(6) 1.527e-02 Natron -6.34 -7.16 -0.82 Na2CO3:10H2O Nesquehonite -2.62 -7.78 -5.17 MgCO3:3H2O Pentahydrite -3.53 -4.82 -1.28 MgSO4:5H2O - Pirssonite -6.37 -15.60 -9.23 Na2Ca(CO3)2:2H2O + Pirssonite -6.37 -15.61 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -9.68 -23.43 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -9.64 -14.83 -5.19 Ca(OH)2 Schoenite -8.10 -12.43 -4.33 K2Mg(SO4)2:6H2O Sylvite -4.07 -3.17 0.90 KCl Syngenite -5.67 -13.12 -7.45 K2Ca(SO4)2:H2O - Trona -10.12 -21.51 -11.38 Na3H(CO3)2:2H2O + Thenardite -3.80 -4.15 -0.35 Na2SO4 + Trona -10.13 -21.51 -11.38 Na3H(CO3)2:2H2O Reaction step 2. @@ -368,8 +370,8 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.78 -5.01 -4.22 0.000e+00 0 0.000e+00 Bischofite -6.82 -2.36 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.904e-04 -Calcite 0.00 -8.41 -8.41 0.000e+00 3.020e-04 3.020e-04 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.895e-04 +Calcite 0.00 -8.41 -8.41 0.000e+00 3.010e-04 3.010e-04 Carnallite -9.04 -4.71 4.33 0.000e+00 0 0.000e+00 Epsomite -2.45 -4.34 -1.88 0.000e+00 0 0.000e+00 Glauberite -2.91 -8.15 -5.25 0.000e+00 0 0.000e+00 @@ -384,8 +386,8 @@ Polyhalite -7.21 -20.95 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 1.252e-03 4.401e-04 - C 7.196e-04 2.529e-04 - Ca 1.576e-02 5.539e-03 + C 7.186e-04 2.525e-04 + Ca 1.576e-02 5.540e-03 Cl 8.339e-01 2.930e-01 K 1.411e-02 4.960e-03 Mg 7.987e-02 2.807e-02 @@ -394,7 +396,7 @@ Polyhalite -7.21 -20.95 -13.74 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- - pH = 7.844 Charge balance + pH = 7.845 Charge balance pe = 4.000 Adjusted to redox equilibrium Specific Conductance (uS/cm, 25 oC) = 70310 Density (g/cm3) = 1.03532 @@ -402,10 +404,10 @@ Polyhalite -7.21 -20.95 -13.74 0.000e+00 0 0.000e+00 Activity of water = 0.972 Ionic strength = 1.065e+00 Mass of water (kg) = 3.514e-01 - Total alkalinity (eq/kg) = 7.522e-04 - Total CO2 (mol/kg) = 7.196e-04 + Total alkalinity (eq/kg) = 7.512e-04 + Total CO2 (mol/kg) = 7.186e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 14 Gamma iterations = 3 @@ -420,16 +422,16 @@ Polyhalite -7.21 -20.95 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.457e-06 6.842e-07 -5.836 -6.165 -0.328 -1.97 - H+ 1.634e-08 1.432e-08 -7.787 -7.844 -0.058 0.00 + OH- 1.466e-06 6.883e-07 -5.834 -6.162 -0.328 -2.00 + H+ 1.632e-08 1.430e-08 -7.787 -7.845 -0.058 0.00 H2O 5.551e+01 9.722e-01 1.744 -0.012 0.000 18.07 Br 1.252e-03 Br- 1.252e-03 7.911e-04 -2.902 -3.102 -0.200 25.75 -C(4) 7.196e-04 - HCO3- 6.720e-04 3.391e-04 -3.173 -3.470 -0.297 27.57 - CO3-2 1.927e-05 1.085e-06 -4.715 -5.965 -1.250 0.69 - MgCO3 1.899e-05 1.899e-05 -4.722 -4.722 0.000 -17.09 - CO2 9.348e-06 1.096e-05 -5.029 -4.960 0.069 30.26 +C(4) 7.186e-04 + HCO3- 6.710e-04 3.386e-04 -3.173 -3.470 -0.297 27.57 + CO3-2 1.927e-05 1.084e-06 -4.715 -5.965 -1.250 0.69 + MgCO3 1.898e-05 1.898e-05 -4.722 -4.722 0.000 -17.09 + CO2 9.322e-06 1.093e-05 -5.030 -4.961 0.069 29.09 Ca 1.576e-02 Ca+2 1.576e-02 3.619e-03 -1.802 -2.441 -0.639 -16.43 Cl 8.339e-01 @@ -438,13 +440,13 @@ K 1.411e-02 K+ 1.411e-02 8.942e-03 -1.850 -2.049 -0.198 9.88 Mg 7.987e-02 Mg+2 7.985e-02 2.066e-02 -1.098 -1.685 -0.587 -20.14 - MgCO3 1.899e-05 1.899e-05 -4.722 -4.722 0.000 -17.09 - MgOH+ 2.209e-06 2.178e-06 -5.656 -5.662 -0.006 (0) + MgCO3 1.898e-05 1.898e-05 -4.722 -4.722 0.000 -17.09 + MgOH+ 2.212e-06 2.181e-06 -5.655 -5.661 -0.006 (0) Na 7.238e-01 Na+ 7.238e-01 5.131e-01 -0.140 -0.290 -0.149 -0.35 S(6) 4.345e-02 SO4-2 4.345e-02 2.722e-03 -1.362 -2.565 -1.203 19.51 - HSO4- 6.080e-09 3.712e-09 -8.216 -8.430 -0.214 41.13 + HSO4- 6.072e-09 3.707e-09 -8.217 -8.431 -0.214 41.13 ------------------------------Saturation indices------------------------------- @@ -477,7 +479,7 @@ S(6) 4.345e-02 Leonite -6.98 -10.96 -3.98 K2Mg(SO4)2:4H2O Magnesite 0.18 -7.65 -7.83 MgCO3 Mirabilite -2.05 -3.27 -1.21 Na2SO4:10H2O - Misenite -70.60 -81.41 -10.81 K8H6(SO4)7 + Misenite -70.61 -81.41 -10.81 K8H6(SO4)7 Nahcolite -3.36 -14.10 -10.74 NaHCO3 Natron -5.84 -6.67 -0.82 Na2CO3:10H2O Nesquehonite -2.52 -7.69 -5.17 MgCO3:3H2O @@ -488,6 +490,7 @@ S(6) 4.345e-02 Schoenite -6.66 -10.99 -4.33 K2Mg(SO4)2:6H2O Sylvite -3.25 -2.35 0.90 KCl Syngenite -4.23 -11.68 -7.45 K2Ca(SO4)2:H2O + Thenardite -2.79 -3.14 -0.35 Na2SO4 Trona -9.28 -20.67 -11.38 Na3H(CO3)2:2H2O @@ -518,8 +521,8 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.66 -4.89 -4.22 0.000e+00 0 0.000e+00 Bischofite -6.53 -2.07 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.246e-05 -Calcite 0.00 -8.41 -8.41 3.020e-04 3.365e-04 3.451e-05 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.241e-05 +Calcite 0.00 -8.41 -8.41 3.010e-04 3.355e-04 3.447e-05 Carnallite -8.57 -4.24 4.33 0.000e+00 0 0.000e+00 Epsomite -2.35 -4.23 -1.88 0.000e+00 0 0.000e+00 Glauberite -2.57 -7.81 -5.25 0.000e+00 0 0.000e+00 @@ -527,15 +530,15 @@ Gypsum -0.34 -4.92 -4.58 0.000e+00 0 0.000e+00 Halite -1.96 -0.39 1.57 0.000e+00 0 0.000e+00 Hexahydrite -2.58 -4.21 -1.63 0.000e+00 0 0.000e+00 Kieserite -4.01 -4.13 -0.12 0.000e+00 0 0.000e+00 -Polyhalite -6.65 -20.39 -13.74 0.000e+00 0 0.000e+00 +Polyhalite -6.64 -20.39 -13.74 0.000e+00 0 0.000e+00 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 1.575e-03 4.401e-04 - C 6.655e-04 1.859e-04 - Ca 1.970e-02 5.505e-03 + C 6.646e-04 1.857e-04 + Ca 1.971e-02 5.506e-03 Cl 1.049e+00 2.930e-01 K 1.775e-02 4.960e-03 Mg 1.005e-01 2.807e-02 @@ -546,16 +549,16 @@ Polyhalite -6.65 -20.39 -13.74 0.000e+00 0 0.000e+00 pH = 7.790 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 82662 + Specific Conductance (uS/cm, 25 oC) = 82663 Density (g/cm3) = 1.04470 Volume (L) = 0.28640 Activity of water = 0.965 Ionic strength = 1.339e+00 Mass of water (kg) = 2.794e-01 - Total alkalinity (eq/kg) = 6.991e-04 - Total CO2 (mol/kg) = 6.655e-04 + Total alkalinity (eq/kg) = 6.982e-04 + Total CO2 (mol/kg) = 6.646e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 7 Gamma iterations = 3 @@ -570,31 +573,31 @@ Polyhalite -6.65 -20.39 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.364e-06 5.990e-07 -5.865 -6.223 -0.358 -1.60 - H+ 1.728e-08 1.623e-08 -7.762 -7.790 -0.027 0.00 + OH- 1.372e-06 6.025e-07 -5.863 -6.220 -0.358 -1.59 + H+ 1.726e-08 1.621e-08 -7.763 -7.790 -0.027 0.00 H2O 5.551e+01 9.647e-01 1.744 -0.016 0.000 18.07 Br 1.575e-03 Br- 1.575e-03 9.876e-04 -2.803 -3.005 -0.203 25.87 -C(4) 6.655e-04 - HCO3- 6.179e-04 2.968e-04 -3.209 -3.528 -0.318 28.17 - MgCO3 1.952e-05 1.952e-05 -4.709 -4.709 0.000 -17.09 - CO3-2 1.914e-05 8.375e-07 -4.718 -6.077 -1.359 1.31 - CO2 8.974e-06 1.096e-05 -5.047 -4.960 0.087 30.26 -Ca 1.970e-02 - Ca+2 1.970e-02 4.686e-03 -1.705 -2.329 -0.624 -16.27 +C(4) 6.646e-04 + HCO3- 6.170e-04 2.964e-04 -3.210 -3.528 -0.318 28.17 + MgCO3 1.952e-05 1.952e-05 -4.710 -4.710 0.000 -17.09 + CO3-2 1.914e-05 8.373e-07 -4.718 -6.077 -1.359 1.31 + CO2 8.949e-06 1.093e-05 -5.048 -4.961 0.087 29.09 +Ca 1.971e-02 + Ca+2 1.971e-02 4.687e-03 -1.705 -2.329 -0.624 -16.27 Cl 1.049e+00 Cl- 1.049e+00 6.161e-01 0.021 -0.210 -0.231 19.08 K 1.775e-02 K+ 1.775e-02 1.112e-02 -1.751 -1.954 -0.203 10.02 Mg 1.005e-01 Mg+2 1.005e-01 2.751e-02 -0.998 -1.561 -0.563 -19.97 - MgCO3 1.952e-05 1.952e-05 -4.709 -4.709 0.000 -17.09 - MgOH+ 2.578e-06 2.539e-06 -5.589 -5.595 -0.007 (0) + MgCO3 1.952e-05 1.952e-05 -4.710 -4.710 0.000 -17.09 + MgOH+ 2.581e-06 2.542e-06 -5.588 -5.595 -0.007 (0) Na 9.105e-01 Na+ 9.105e-01 6.539e-01 -0.041 -0.184 -0.144 -0.22 S(6) 5.466e-02 SO4-2 5.466e-02 2.769e-03 -1.262 -2.558 -1.295 20.17 - HSO4- 7.203e-09 4.280e-09 -8.143 -8.369 -0.226 41.22 + HSO4- 7.194e-09 4.275e-09 -8.143 -8.369 -0.226 41.22 ------------------------------Saturation indices------------------------------- @@ -605,7 +608,7 @@ S(6) 5.466e-02 Arcanite -4.69 -6.47 -1.78 K2SO4 Bischofite -6.53 -2.07 4.46 MgCl2:6H2O Bloedite -4.76 -7.11 -2.35 Na2Mg(SO4)2:4H2O - Brucite -3.13 -14.01 -10.88 Mg(OH)2 + Brucite -3.12 -14.00 -10.88 Mg(OH)2 Burkeite -11.53 -12.30 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -8.57 -4.24 4.33 KMgCl3:6H2O @@ -633,12 +636,13 @@ S(6) 5.466e-02 Nesquehonite -2.52 -7.68 -5.17 MgCO3:3H2O Pentahydrite -2.91 -4.20 -1.28 MgSO4:5H2O Pirssonite -5.65 -14.88 -9.23 Na2Ca(CO3)2:2H2O - Polyhalite -6.65 -20.39 -13.74 K2MgCa2(SO4)4:2H2O + Polyhalite -6.64 -20.39 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -9.58 -14.77 -5.19 Ca(OH)2 Schoenite -6.35 -10.68 -4.33 K2Mg(SO4)2:6H2O Sylvite -3.06 -2.16 0.90 KCl Syngenite -3.92 -11.37 -7.45 K2Ca(SO4)2:H2O - Trona -9.14 -20.53 -11.38 Na3H(CO3)2:2H2O + Thenardite -2.58 -2.93 -0.35 Na2SO4 + Trona -9.15 -20.53 -11.38 Na3H(CO3)2:2H2O Reaction step 4. @@ -668,8 +672,8 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.49 -4.72 -4.22 0.000e+00 0 0.000e+00 Bischofite -6.14 -1.68 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.099e-05 -Calcite 0.00 -8.41 -8.41 3.365e-04 3.696e-04 3.312e-05 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.094e-05 +Calcite 0.00 -8.41 -8.41 3.355e-04 3.686e-04 3.308e-05 Carnallite -7.93 -3.60 4.33 0.000e+00 0 0.000e+00 Epsomite -2.20 -4.08 -1.88 0.000e+00 0 0.000e+00 Glauberite -2.11 -7.36 -5.25 0.000e+00 0 0.000e+00 @@ -684,8 +688,8 @@ Polyhalite -5.88 -19.62 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 2.123e-03 4.401e-04 - C 5.876e-04 1.218e-04 - Ca 2.639e-02 5.472e-03 + C 5.868e-04 1.216e-04 + Ca 2.640e-02 5.473e-03 Cl 1.414e+00 2.930e-01 K 2.393e-02 4.960e-03 Mg 1.354e-01 2.807e-02 @@ -694,18 +698,18 @@ Polyhalite -5.88 -19.62 -13.74 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- - pH = 7.707 Charge balance + pH = 7.708 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 102616 + Specific Conductance (uS/cm, 25 oC) = 102617 Density (g/cm3) = 1.06022 Volume (L) = 0.21423 Activity of water = 0.952 Ionic strength = 1.805e+00 Mass of water (kg) = 2.073e-01 - Total alkalinity (eq/kg) = 6.226e-04 - Total CO2 (mol/kg) = 5.876e-04 + Total alkalinity (eq/kg) = 6.218e-04 + Total CO2 (mol/kg) = 5.868e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 9 Gamma iterations = 3 @@ -720,18 +724,18 @@ Polyhalite -5.88 -19.62 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.227e-06 4.888e-07 -5.911 -6.311 -0.400 -1.00 - H+ 1.834e-08 1.961e-08 -7.737 -7.707 0.029 0.00 + OH- 1.234e-06 4.917e-07 -5.909 -6.308 -0.400 -0.90 + H+ 1.832e-08 1.959e-08 -7.737 -7.708 0.029 0.00 H2O 5.551e+01 9.516e-01 1.744 -0.022 0.000 18.07 Br 2.123e-03 Br- 2.123e-03 1.331e-03 -2.673 -2.876 -0.203 26.05 -C(4) 5.876e-04 - HCO3- 5.403e-04 2.422e-04 -3.267 -3.616 -0.348 29.17 +C(4) 5.868e-04 + HCO3- 5.395e-04 2.419e-04 -3.268 -3.616 -0.348 29.17 MgCO3 2.035e-05 2.035e-05 -4.691 -4.691 0.000 -17.09 - CO3-2 1.854e-05 5.656e-07 -4.732 -6.248 -1.516 2.27 - CO2 8.374e-06 1.096e-05 -5.077 -4.960 0.117 30.26 -Ca 2.639e-02 - Ca+2 2.639e-02 6.939e-03 -1.578 -2.159 -0.580 -16.03 + CO3-2 1.853e-05 5.655e-07 -4.732 -6.248 -1.516 2.27 + CO2 8.352e-06 1.093e-05 -5.078 -4.961 0.117 29.09 +Ca 2.640e-02 + Ca+2 2.640e-02 6.940e-03 -1.578 -2.159 -0.580 -16.03 Cl 1.414e+00 Cl- 1.414e+00 8.132e-01 0.150 -0.090 -0.240 19.23 K 2.393e-02 @@ -739,12 +743,12 @@ K 2.393e-02 Mg 1.354e-01 Mg+2 1.354e-01 4.247e-02 -0.868 -1.372 -0.504 -19.72 MgCO3 2.035e-05 2.035e-05 -4.691 -4.691 0.000 -17.09 - MgOH+ 3.310e-06 3.199e-06 -5.480 -5.495 -0.015 (0) + MgOH+ 3.314e-06 3.203e-06 -5.480 -5.494 -0.015 (0) Na 1.227e+00 Na+ 1.227e+00 9.120e-01 0.089 -0.040 -0.129 -0.00 S(6) 7.366e-02 - SO4-2 7.366e-02 2.760e-03 -1.133 -2.559 -1.426 21.15 - HSO4- 9.000e-09 5.156e-09 -8.046 -8.288 -0.242 41.36 + SO4-2 7.366e-02 2.759e-03 -1.133 -2.559 -1.426 21.15 + HSO4- 8.988e-09 5.149e-09 -8.046 -8.288 -0.242 41.36 ------------------------------Saturation indices------------------------------- @@ -770,7 +774,7 @@ S(6) 7.366e-02 Halite -1.70 -0.13 1.57 NaCl Hexahydrite -2.43 -4.06 -1.63 MgSO4:6H2O Kainite -5.72 -5.91 -0.19 KMgClSO4:3H2O - Kalicinite -5.72 -15.78 -10.06 KHCO3 + Kalicinite -5.73 -15.78 -10.06 KHCO3 Kieserite -3.83 -3.95 -0.12 MgSO4:H2O Labile_S -4.37 -10.04 -5.67 Na4Ca(SO4)3:2H2O Leonhardite -3.13 -4.02 -0.89 MgSO4:4H2O @@ -778,7 +782,7 @@ S(6) 7.366e-02 Magnesite 0.21 -7.62 -7.83 MgCO3 Mirabilite -1.64 -2.85 -1.21 Na2SO4:10H2O Misenite -67.98 -78.78 -10.81 K8H6(SO4)7 - Nahcolite -3.25 -13.99 -10.74 NaHCO3 + Nahcolite -3.25 -14.00 -10.74 NaHCO3 Natron -5.72 -6.54 -0.82 Na2CO3:10H2O Nesquehonite -2.52 -7.68 -5.17 MgCO3:3H2O Pentahydrite -2.75 -4.04 -1.28 MgSO4:5H2O @@ -788,6 +792,7 @@ S(6) 7.366e-02 Schoenite -5.95 -10.28 -4.33 K2Mg(SO4)2:6H2O Sylvite -2.82 -1.92 0.90 KCl Syngenite -3.51 -10.95 -7.45 K2Ca(SO4)2:H2O + Thenardite -2.29 -2.64 -0.35 Na2SO4 Trona -8.98 -20.37 -11.38 Na3H(CO3)2:2H2O @@ -818,12 +823,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.29 -4.51 -4.22 0.000e+00 0 0.000e+00 Bischofite -5.51 -1.05 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.634e-05 -Calcite 0.00 -8.41 -8.41 3.696e-04 3.974e-04 2.773e-05 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 2.630e-05 +Calcite 0.00 -8.41 -8.41 3.686e-04 3.962e-04 2.769e-05 Carnallite -6.93 -2.60 4.33 0.000e+00 0 0.000e+00 Epsomite -1.99 -3.87 -1.88 0.000e+00 0 0.000e+00 Glauberite -1.49 -6.74 -5.25 0.000e+00 0 0.000e+00 -Gypsum 0.00 -4.58 -4.58 0.000e+00 7.537e-04 7.537e-04 +Gypsum 0.00 -4.58 -4.58 0.000e+00 7.546e-04 7.546e-04 Halite -1.29 0.28 1.57 0.000e+00 0 0.000e+00 Hexahydrite -2.20 -3.84 -1.63 0.000e+00 0 0.000e+00 Kieserite -3.54 -3.66 -0.12 0.000e+00 0 0.000e+00 @@ -834,7 +839,7 @@ Polyhalite -4.85 -18.59 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 3.255e-03 4.401e-04 - C 5.010e-04 6.774e-05 + C 5.004e-04 6.766e-05 Ca 3.469e-02 4.690e-03 Cl 2.167e+00 2.930e-01 K 3.668e-02 4.960e-03 @@ -852,17 +857,17 @@ Polyhalite -4.85 -18.59 -13.74 0.000e+00 0 0.000e+00 Activity of water = 0.923 Ionic strength = 2.744e+00 Mass of water (kg) = 1.352e-01 - Total alkalinity (eq/kg) = 5.444e-04 - Total CO2 (mol/kg) = 5.010e-04 + Total alkalinity (eq/kg) = 5.438e-04 + Total CO2 (mol/kg) = 5.004e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 11 Gamma iterations = 4 Osmotic coefficient = 1.00525 Density of water = 0.99704 - Total H = 1.501023e+01 - Total O = 7.563354e+00 + Total H = 1.501022e+01 + Total O = 7.563347e+00 ----------------------------Distribution of species---------------------------- @@ -870,16 +875,16 @@ Polyhalite -4.85 -18.59 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.053e-06 3.598e-07 -5.978 -6.444 -0.466 0.14 - H+ 1.788e-08 2.584e-08 -7.748 -7.588 0.160 0.00 + OH- 1.059e-06 3.619e-07 -5.975 -6.441 -0.466 0.41 + H+ 1.786e-08 2.581e-08 -7.748 -7.588 0.160 0.00 H2O 5.551e+01 9.228e-01 1.744 -0.035 0.000 18.07 Br 3.255e-03 Br- 3.255e-03 2.101e-03 -2.487 -2.677 -0.190 26.34 -C(4) 5.010e-04 - HCO3- 4.499e-04 1.783e-04 -3.347 -3.749 -0.402 31.12 +C(4) 5.004e-04 + HCO3- 4.492e-04 1.780e-04 -3.348 -3.749 -0.402 31.12 MgCO3 2.549e-05 2.549e-05 -4.594 -4.594 0.000 -17.09 CO3-2 1.836e-05 3.159e-07 -4.736 -6.500 -1.764 3.96 - CO2 7.285e-06 1.096e-05 -5.138 -4.960 0.177 30.26 + CO2 7.266e-06 1.093e-05 -5.139 -4.961 0.177 29.09 Ca 3.469e-02 Ca+2 3.469e-02 1.242e-02 -1.460 -1.906 -0.446 -15.60 Cl 2.167e+00 @@ -889,12 +894,12 @@ K 3.668e-02 Mg 2.076e-01 Mg+2 2.076e-01 9.521e-02 -0.683 -1.021 -0.338 -19.25 MgCO3 2.549e-05 2.549e-05 -4.594 -4.594 0.000 -17.09 - MgOH+ 5.809e-06 5.278e-06 -5.236 -5.278 -0.042 (0) + MgOH+ 5.817e-06 5.285e-06 -5.235 -5.277 -0.042 (0) Na 1.881e+00 Na+ 1.881e+00 1.550e+00 0.274 0.190 -0.084 0.37 S(6) 1.074e-01 SO4-2 1.074e-01 2.484e-03 -0.969 -2.605 -1.636 22.78 - HSO4- 1.130e-08 6.115e-09 -7.947 -8.214 -0.267 41.57 + HSO4- 1.129e-08 6.106e-09 -7.947 -8.214 -0.267 41.57 ------------------------------Saturation indices------------------------------- @@ -905,7 +910,7 @@ S(6) 1.074e-01 Arcanite -4.10 -5.88 -1.78 K2SO4 Bischofite -5.51 -1.05 4.46 MgCl2:6H2O Bloedite -3.64 -5.99 -2.35 Na2Mg(SO4)2:4H2O - Brucite -3.03 -13.91 -10.88 Mg(OH)2 + Brucite -3.02 -13.90 -10.88 Mg(OH)2 Burkeite -9.80 -10.57 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -6.93 -2.60 4.33 KMgCl3:6H2O @@ -927,7 +932,7 @@ S(6) 1.074e-01 Leonite -5.66 -9.64 -3.98 K2Mg(SO4)2:4H2O Magnesite 0.31 -7.52 -7.83 MgCO3 Mirabilite -1.36 -2.57 -1.21 Na2SO4:10H2O - Misenite -66.04 -76.84 -10.81 K8H6(SO4)7 + Misenite -66.04 -76.85 -10.81 K8H6(SO4)7 Nahcolite -3.16 -13.90 -10.74 NaHCO3 Natron -5.64 -6.47 -0.82 Na2CO3:10H2O Nesquehonite -2.46 -7.63 -5.17 MgCO3:3H2O @@ -938,6 +943,7 @@ S(6) 1.074e-01 Schoenite -5.38 -9.71 -4.33 K2Mg(SO4)2:6H2O Sylvite -2.45 -1.55 0.90 KCl Syngenite -2.97 -10.42 -7.45 K2Ca(SO4)2:H2O + Thenardite -1.87 -2.22 -0.35 Na2SO4 Trona -8.70 -20.09 -11.38 Na3H(CO3)2:2H2O @@ -968,12 +974,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.27 -4.50 -4.22 0.000e+00 0 0.000e+00 Bischofite -5.27 -0.82 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.552e-06 -Calcite 0.00 -8.41 -8.41 3.974e-04 4.015e-04 4.116e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.546e-06 +Calcite 0.00 -8.41 -8.41 3.962e-04 4.004e-04 4.110e-06 Carnallite -6.56 -2.23 4.33 0.000e+00 0 0.000e+00 Epsomite -1.92 -3.81 -1.88 0.000e+00 0 0.000e+00 Glauberite -1.34 -6.59 -5.25 0.000e+00 0 0.000e+00 -Gypsum 0.00 -4.58 -4.58 7.537e-04 1.574e-03 8.205e-04 +Gypsum 0.00 -4.58 -4.58 7.546e-04 1.575e-03 8.205e-04 Halite -1.14 0.43 1.57 0.000e+00 0 0.000e+00 Hexahydrite -2.13 -3.76 -1.63 0.000e+00 0 0.000e+00 Kieserite -3.43 -3.56 -0.12 0.000e+00 0 0.000e+00 @@ -984,8 +990,8 @@ Polyhalite -4.63 -18.37 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 3.756e-03 4.401e-04 - C 5.042e-04 5.907e-05 - Ca 3.299e-02 3.865e-03 + C 5.036e-04 5.900e-05 + Ca 3.299e-02 3.866e-03 Cl 2.501e+00 2.930e-01 K 4.233e-02 4.960e-03 Mg 2.396e-01 2.807e-02 @@ -1002,17 +1008,17 @@ Polyhalite -4.63 -18.37 -13.74 0.000e+00 0 0.000e+00 Activity of water = 0.909 Ionic strength = 3.138e+00 Mass of water (kg) = 1.172e-01 - Total alkalinity (eq/kg) = 5.580e-04 - Total CO2 (mol/kg) = 5.042e-04 + Total alkalinity (eq/kg) = 5.574e-04 + Total CO2 (mol/kg) = 5.036e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 8 Gamma iterations = 3 Osmotic coefficient = 1.03297 Density of water = 0.99704 Total H = 1.300694e+01 - Total O = 6.558410e+00 + Total O = 6.558403e+00 ----------------------------Distribution of species---------------------------- @@ -1020,16 +1026,16 @@ Polyhalite -4.63 -18.37 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.038e-06 3.370e-07 -5.984 -6.472 -0.488 0.61 - H+ 1.632e-08 2.719e-08 -7.787 -7.566 0.222 0.00 + OH- 1.044e-06 3.390e-07 -5.981 -6.470 -0.488 0.95 + H+ 1.630e-08 2.715e-08 -7.788 -7.566 0.222 0.00 H2O 5.551e+01 9.093e-01 1.744 -0.041 0.000 18.07 Br 3.756e-03 Br- 3.756e-03 2.474e-03 -2.425 -2.607 -0.181 26.45 -C(4) 5.042e-04 - HCO3- 4.455e-04 1.670e-04 -3.351 -3.777 -0.426 31.93 +C(4) 5.036e-04 + HCO3- 4.449e-04 1.668e-04 -3.352 -3.778 -0.426 31.93 MgCO3 3.187e-05 3.187e-05 -4.497 -4.497 0.000 -17.09 CO3-2 1.995e-05 2.813e-07 -4.700 -6.551 -1.851 4.61 - CO2 6.870e-06 1.096e-05 -5.163 -4.960 0.203 30.26 + CO2 6.852e-06 1.093e-05 -5.164 -4.961 0.203 29.09 Ca 3.299e-02 Ca+2 3.299e-02 1.395e-02 -1.482 -1.855 -0.374 -15.43 Cl 2.501e+00 @@ -1039,12 +1045,12 @@ K 4.233e-02 Mg 2.396e-01 Mg+2 2.395e-01 1.337e-01 -0.621 -0.874 -0.253 -19.06 MgCO3 3.187e-05 3.187e-05 -4.497 -4.497 0.000 -17.09 - MgOH+ 7.847e-06 6.943e-06 -5.105 -5.158 -0.053 (0) + MgOH+ 7.858e-06 6.952e-06 -5.105 -5.158 -0.053 (0) Na 2.171e+00 Na+ 2.171e+00 1.889e+00 0.337 0.276 -0.060 0.51 S(6) 1.169e-01 SO4-2 1.169e-01 2.277e-03 -0.932 -2.643 -1.710 23.38 - HSO4- 1.113e-08 5.898e-09 -7.953 -8.229 -0.276 41.65 + HSO4- 1.112e-08 5.890e-09 -7.954 -8.230 -0.276 41.65 ------------------------------Saturation indices------------------------------- @@ -1055,7 +1061,7 @@ S(6) 1.169e-01 Arcanite -4.00 -5.78 -1.78 K2SO4 Bischofite -5.27 -0.82 4.46 MgCl2:6H2O Bloedite -3.42 -5.77 -2.35 Na2Mg(SO4)2:4H2O - Brucite -2.94 -13.82 -10.88 Mg(OH)2 + Brucite -2.93 -13.81 -10.88 Mg(OH)2 Burkeite -9.41 -10.18 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -6.56 -2.23 4.33 KMgCl3:6H2O @@ -1084,10 +1090,11 @@ S(6) 1.169e-01 Pentahydrite -2.44 -3.72 -1.28 MgSO4:5H2O Pirssonite -5.25 -14.49 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -4.63 -18.37 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.61 -14.80 -5.19 Ca(OH)2 + Portlandite -9.60 -14.79 -5.19 Ca(OH)2 Schoenite -5.21 -9.54 -4.33 K2Mg(SO4)2:6H2O Sylvite -2.31 -1.41 0.90 KCl Syngenite -2.87 -10.32 -7.45 K2Ca(SO4)2:H2O + Thenardite -1.74 -2.09 -0.35 Na2SO4 Trona -8.54 -19.92 -11.38 Na3H(CO3)2:2H2O @@ -1118,12 +1125,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.25 -4.48 -4.22 0.000e+00 0 0.000e+00 Bischofite -4.98 -0.52 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.536e-06 -Calcite 0.00 -8.41 -8.41 4.015e-04 4.053e-04 3.781e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.529e-06 +Calcite 0.00 -8.41 -8.41 4.004e-04 4.041e-04 3.775e-06 Carnallite -6.11 -1.78 4.33 0.000e+00 0 0.000e+00 Epsomite -1.84 -3.72 -1.88 0.000e+00 0 0.000e+00 Glauberite -1.16 -6.40 -5.25 0.000e+00 0 0.000e+00 -Gypsum 0.00 -4.58 -4.58 1.574e-03 2.447e-03 8.727e-04 +Gypsum 0.00 -4.58 -4.58 1.575e-03 2.448e-03 8.727e-04 Halite -0.96 0.61 1.57 0.000e+00 0 0.000e+00 Hexahydrite -2.04 -3.67 -1.63 0.000e+00 0 0.000e+00 Kieserite -3.30 -3.42 -0.12 0.000e+00 0 0.000e+00 @@ -1134,7 +1141,7 @@ Polyhalite -4.34 -18.08 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 4.440e-03 4.401e-04 - C 5.121e-04 5.076e-05 + C 5.115e-04 5.069e-05 Ca 3.016e-02 2.989e-03 Cl 2.957e+00 2.930e-01 K 5.004e-02 4.960e-03 @@ -1146,23 +1153,23 @@ Polyhalite -4.34 -18.08 -13.74 0.000e+00 0 0.000e+00 pH = 7.537 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 218831 + Specific Conductance (uS/cm, 25 oC) = 218832 Density (g/cm3) = 1.11845 Volume (L) = 0.10590 Activity of water = 0.890 Ionic strength = 3.674e+00 Mass of water (kg) = 9.912e-02 - Total alkalinity (eq/kg) = 5.833e-04 - Total CO2 (mol/kg) = 5.121e-04 + Total alkalinity (eq/kg) = 5.827e-04 + Total CO2 (mol/kg) = 5.115e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 8 Gamma iterations = 3 Osmotic coefficient = 1.07237 Density of water = 0.99704 Total H = 1.100345e+01 - Total O = 5.553153e+00 + Total O = 5.553146e+00 ----------------------------Distribution of species---------------------------- @@ -1170,31 +1177,31 @@ Polyhalite -4.34 -18.08 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.014e-06 3.087e-07 -5.994 -6.510 -0.517 1.23 - H+ 1.429e-08 2.905e-08 -7.845 -7.537 0.308 0.00 + OH- 1.020e-06 3.106e-07 -5.991 -6.508 -0.517 1.67 + H+ 1.427e-08 2.901e-08 -7.846 -7.537 0.308 0.00 H2O 5.551e+01 8.902e-01 1.744 -0.051 0.000 18.07 Br 4.440e-03 Br- 4.440e-03 3.019e-03 -2.353 -2.520 -0.168 26.59 -C(4) 5.121e-04 - HCO3- 4.409e-04 1.530e-04 -3.356 -3.815 -0.460 33.01 +C(4) 5.115e-04 + HCO3- 4.403e-04 1.528e-04 -3.356 -3.816 -0.460 33.01 MgCO3 4.296e-05 4.296e-05 -4.367 -4.367 0.000 -17.09 CO3-2 2.185e-05 2.411e-07 -4.661 -6.618 -1.957 5.44 - CO2 6.345e-06 1.096e-05 -5.198 -4.960 0.237 30.26 + CO2 6.328e-06 1.093e-05 -5.199 -4.961 0.237 29.09 Ca 3.016e-02 - Ca+2 3.016e-02 1.627e-02 -1.521 -1.789 -0.268 -15.20 + Ca+2 3.016e-02 1.628e-02 -1.521 -1.788 -0.268 -15.20 Cl 2.957e+00 Cl- 2.957e+00 1.693e+00 0.471 0.229 -0.242 19.69 K 5.004e-02 K+ 5.004e-02 3.292e-02 -1.301 -1.483 -0.182 11.10 Mg 2.832e-01 - Mg+2 2.831e-01 2.102e-01 -0.548 -0.677 -0.129 -18.81 + Mg+2 2.831e-01 2.103e-01 -0.548 -0.677 -0.129 -18.81 MgCO3 4.296e-05 4.296e-05 -4.367 -4.367 0.000 -17.09 - MgOH+ 1.176e-05 1.000e-05 -4.930 -5.000 -0.070 (0) + MgOH+ 1.178e-05 1.001e-05 -4.929 -4.999 -0.070 (0) Na 2.566e+00 Na+ 2.566e+00 2.421e+00 0.409 0.384 -0.025 0.70 S(6) 1.294e-01 SO4-2 1.294e-01 2.037e-03 -0.888 -2.691 -1.803 24.12 - HSO4- 1.094e-08 5.638e-09 -7.961 -8.249 -0.288 41.74 + HSO4- 1.092e-08 5.630e-09 -7.962 -8.249 -0.288 41.74 ------------------------------Saturation indices------------------------------- @@ -1205,7 +1212,7 @@ S(6) 1.294e-01 Arcanite -3.88 -5.66 -1.78 K2SO4 Bischofite -4.98 -0.52 4.46 MgCl2:6H2O Bloedite -3.15 -5.49 -2.35 Na2Mg(SO4)2:4H2O - Brucite -2.82 -13.70 -10.88 Mg(OH)2 + Brucite -2.81 -13.69 -10.88 Mg(OH)2 Burkeite -8.92 -9.70 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -6.11 -1.78 4.33 KMgCl3:6H2O @@ -1225,19 +1232,20 @@ S(6) 1.294e-01 Labile_S -2.75 -8.43 -5.67 Na4Ca(SO4)3:2H2O Leonhardite -2.68 -3.57 -0.89 MgSO4:4H2O Leonite -5.25 -9.23 -3.98 K2Mg(SO4)2:4H2O - Magnesite 0.54 -7.29 -7.83 MgCO3 + Magnesite 0.54 -7.30 -7.83 MgCO3 Mirabilite -1.21 -2.43 -1.21 Na2SO4:10H2O - Misenite -65.11 -75.92 -10.81 K8H6(SO4)7 + Misenite -65.12 -75.92 -10.81 K8H6(SO4)7 Nahcolite -3.03 -13.77 -10.74 NaHCO3 Natron -5.53 -6.35 -0.82 Na2CO3:10H2O Nesquehonite -2.28 -7.45 -5.17 MgCO3:3H2O Pentahydrite -2.34 -3.62 -1.28 MgSO4:5H2O Pirssonite -5.12 -14.36 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -4.34 -18.08 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.62 -14.81 -5.19 Ca(OH)2 + Portlandite -9.61 -14.80 -5.19 Ca(OH)2 Schoenite -5.00 -9.33 -4.33 K2Mg(SO4)2:6H2O Sylvite -2.15 -1.25 0.90 KCl Syngenite -2.74 -10.19 -7.45 K2Ca(SO4)2:H2O + Thenardite -1.57 -1.92 -0.35 Na2SO4 Trona -8.34 -19.72 -11.38 Na3H(CO3)2:2H2O @@ -1268,12 +1276,12 @@ 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 -4.60 -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 4.501e-06 -Calcite 0.00 -8.41 -8.41 4.053e-04 4.082e-04 2.944e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.496e-06 +Calcite 0.00 -8.41 -8.41 4.041e-04 4.071e-04 2.939e-06 Carnallite -5.52 -1.19 4.33 0.000e+00 0 0.000e+00 Epsomite -1.73 -3.61 -1.88 0.000e+00 0 0.000e+00 Glauberite -0.91 -6.15 -5.25 0.000e+00 0 0.000e+00 -Gypsum 0.00 -4.58 -4.58 2.447e-03 3.361e-03 9.141e-04 +Gypsum 0.00 -4.58 -4.58 2.448e-03 3.362e-03 9.142e-04 Halite -0.72 0.85 1.57 0.000e+00 0 0.000e+00 Hexahydrite -1.91 -3.54 -1.63 0.000e+00 0 0.000e+00 Kieserite -3.10 -3.22 -0.12 0.000e+00 0 0.000e+00 @@ -1284,7 +1292,7 @@ Polyhalite -3.95 -17.69 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 5.429e-03 4.401e-04 - C 5.343e-04 4.331e-05 + C 5.336e-04 4.326e-05 Ca 2.556e-02 2.072e-03 Cl 3.615e+00 2.930e-01 K 6.118e-02 4.960e-03 @@ -1296,23 +1304,23 @@ Polyhalite -3.95 -17.69 -13.74 0.000e+00 0 0.000e+00 pH = 7.498 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 286245 + Specific Conductance (uS/cm, 25 oC) = 286246 Density (g/cm3) = 1.14064 Volume (L) = 0.08786 Activity of water = 0.861 Ionic strength = 4.447e+00 Mass of water (kg) = 8.107e-02 - Total alkalinity (eq/kg) = 6.405e-04 - Total CO2 (mol/kg) = 5.343e-04 + Total alkalinity (eq/kg) = 6.399e-04 + Total CO2 (mol/kg) = 5.336e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.35 Iterations = 9 Gamma iterations = 4 - Osmotic coefficient = 1.13202 + Osmotic coefficient = 1.13203 Density of water = 0.99704 - Total H = 8.999797e+00 - Total O = 4.547651e+00 + Total H = 8.999791e+00 + Total O = 4.547643e+00 ----------------------------Distribution of species---------------------------- @@ -1320,16 +1328,16 @@ Polyhalite -3.95 -17.69 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 9.779e-07 2.728e-07 -6.010 -6.564 -0.554 2.11 - H+ 1.163e-08 3.180e-08 -7.935 -7.498 0.437 0.00 + OH- 9.837e-07 2.744e-07 -6.007 -6.562 -0.554 2.70 + H+ 1.161e-08 3.175e-08 -7.935 -7.498 0.437 0.00 H2O 5.551e+01 8.610e-01 1.744 -0.065 0.000 18.07 Br 5.429e-03 Br- 5.429e-03 3.891e-03 -2.265 -2.410 -0.145 26.77 -C(4) 5.343e-04 - HCO3- 4.386e-04 1.352e-04 -3.358 -3.869 -0.511 34.56 +C(4) 5.336e-04 + HCO3- 4.380e-04 1.350e-04 -3.359 -3.870 -0.511 34.56 MgCO3 6.590e-05 6.590e-05 -4.181 -4.181 0.000 -17.09 CO3-2 2.411e-05 1.947e-07 -4.618 -6.711 -2.093 6.59 - CO2 5.658e-06 1.096e-05 -5.247 -4.960 0.287 30.26 + CO2 5.643e-06 1.093e-05 -5.249 -4.961 0.287 29.09 Ca 2.556e-02 Ca+2 2.556e-02 2.016e-02 -1.592 -1.696 -0.103 -14.89 Cl 3.615e+00 @@ -1339,12 +1347,12 @@ K 6.118e-02 Mg 3.462e-01 Mg+2 3.462e-01 3.995e-01 -0.461 -0.399 0.062 -18.46 MgCO3 6.590e-05 6.590e-05 -4.181 -4.181 0.000 -17.09 - MgOH+ 2.096e-05 1.679e-05 -4.679 -4.775 -0.096 (0) + MgOH+ 2.099e-05 1.681e-05 -4.678 -4.774 -0.096 (0) Na 3.138e+00 Na+ 3.138e+00 3.366e+00 0.497 0.527 0.031 0.95 S(6) 1.469e-01 SO4-2 1.469e-01 1.758e-03 -0.833 -2.755 -1.922 25.12 - HSO4- 1.073e-08 5.326e-09 -7.970 -8.274 -0.304 41.85 + HSO4- 1.071e-08 5.318e-09 -7.970 -8.274 -0.304 41.85 ------------------------------Saturation indices------------------------------- @@ -1355,7 +1363,7 @@ S(6) 1.469e-01 Arcanite -3.73 -5.51 -1.78 K2SO4 Bischofite -4.60 -0.14 4.46 MgCl2:6H2O Bloedite -2.77 -5.11 -2.35 Na2Mg(SO4)2:4H2O - Brucite -2.65 -13.53 -10.88 Mg(OH)2 + Brucite -2.64 -13.52 -10.88 Mg(OH)2 Burkeite -8.29 -9.06 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -5.52 -1.19 4.33 KMgCl3:6H2O @@ -1377,7 +1385,7 @@ S(6) 1.469e-01 Leonite -4.94 -8.92 -3.98 K2Mg(SO4)2:4H2O Magnesite 0.72 -7.11 -7.83 MgCO3 Mirabilite -1.14 -2.35 -1.21 Na2SO4:10H2O - Misenite -64.47 -75.27 -10.81 K8H6(SO4)7 + Misenite -64.47 -75.28 -10.81 K8H6(SO4)7 Nahcolite -2.94 -13.68 -10.74 NaHCO3 Natron -5.48 -6.31 -0.82 Na2CO3:10H2O Nesquehonite -2.14 -7.30 -5.17 MgCO3:3H2O @@ -1388,6 +1396,7 @@ S(6) 1.469e-01 Schoenite -4.72 -9.05 -4.33 K2Mg(SO4)2:6H2O Sylvite -1.95 -1.05 0.90 KCl Syngenite -2.57 -10.02 -7.45 K2Ca(SO4)2:H2O + Thenardite -1.35 -1.70 -0.35 Na2SO4 Trona -8.08 -19.47 -11.38 Na3H(CO3)2:2H2O @@ -1418,12 +1427,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.17 -4.40 -4.22 0.000e+00 0 0.000e+00 Bischofite -4.07 0.39 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.598e-06 -Calcite -0.00 -8.41 -8.41 4.082e-04 4.086e-04 3.617e-07 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.593e-06 +Calcite 0.00 -8.41 -8.41 4.071e-04 4.074e-04 3.560e-07 Carnallite -4.72 -0.39 4.33 0.000e+00 0 0.000e+00 Epsomite -1.56 -3.44 -1.88 0.000e+00 0 0.000e+00 Glauberite -0.53 -5.78 -5.25 0.000e+00 0 0.000e+00 -Gypsum 0.00 -4.58 -4.58 3.361e-03 4.268e-03 9.065e-04 +Gypsum 0.00 -4.58 -4.58 3.362e-03 4.269e-03 9.066e-04 Halite -0.39 1.18 1.57 0.000e+00 0 0.000e+00 Hexahydrite -1.72 -3.35 -1.63 0.000e+00 0 0.000e+00 Kieserite -2.78 -2.90 -0.12 0.000e+00 0 0.000e+00 @@ -1434,7 +1443,7 @@ Polyhalite -3.34 -17.09 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 6.984e-03 4.401e-04 - C 6.086e-04 3.835e-05 + C 6.079e-04 3.831e-05 Ca 1.849e-02 1.165e-03 Cl 4.650e+00 2.930e-01 K 7.870e-02 4.960e-03 @@ -1446,23 +1455,23 @@ Polyhalite -3.34 -17.09 -13.74 0.000e+00 0 0.000e+00 pH = 7.441 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 360816 + Specific Conductance (uS/cm, 25 oC) = 360817 Density (g/cm3) = 1.17346 Volume (L) = 0.06986 Activity of water = 0.812 Ionic strength = 5.663e+00 Mass of water (kg) = 6.302e-02 - Total alkalinity (eq/kg) = 8.125e-04 - Total CO2 (mol/kg) = 6.086e-04 + Total alkalinity (eq/kg) = 8.119e-04 + Total CO2 (mol/kg) = 6.079e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.36 Iterations = 11 Gamma iterations = 4 Osmotic coefficient = 1.23104 Density of water = 0.99704 - Total H = 6.996171e+00 - Total O = 3.542201e+00 + Total H = 6.996164e+00 + Total O = 3.542194e+00 ----------------------------Distribution of species---------------------------- @@ -1470,31 +1479,31 @@ Polyhalite -3.34 -17.09 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 9.202e-07 2.256e-07 -6.036 -6.647 -0.611 3.47 - H+ 8.191e-09 3.624e-08 -8.087 -7.441 0.646 0.00 + OH- 9.257e-07 2.270e-07 -6.034 -6.644 -0.611 4.28 + H+ 8.180e-09 3.620e-08 -8.087 -7.441 0.646 0.00 H2O 5.551e+01 8.116e-01 1.744 -0.091 0.000 18.07 Br 6.984e-03 Br- 6.984e-03 5.501e-03 -2.156 -2.260 -0.104 27.02 -C(4) 6.086e-04 - HCO3- 4.476e-04 1.118e-04 -3.349 -3.952 -0.602 36.97 +C(4) 6.079e-04 + HCO3- 4.470e-04 1.117e-04 -3.350 -3.952 -0.602 36.97 MgCO3 1.296e-04 1.296e-04 -3.887 -3.887 0.000 -17.09 - CO3-2 2.663e-05 1.413e-07 -4.575 -6.850 -2.275 8.28 - CO2 4.728e-06 1.096e-05 -5.325 -4.960 0.365 30.26 + CO3-2 2.662e-05 1.412e-07 -4.575 -6.850 -2.275 8.28 + CO2 4.715e-06 1.093e-05 -5.326 -4.961 0.365 29.09 Ca 1.849e-02 - Ca+2 1.849e-02 2.778e-02 -1.733 -1.556 0.177 -14.41 + Ca+2 1.849e-02 2.779e-02 -1.733 -1.556 0.177 -14.41 Cl 4.650e+00 Cl- 4.650e+00 2.806e+00 0.667 0.448 -0.219 20.04 K 7.870e-02 - K+ 7.870e-02 5.905e-02 -1.104 -1.229 -0.125 11.98 + K+ 7.870e-02 5.906e-02 -1.104 -1.229 -0.125 11.98 Mg 4.454e-01 Mg+2 4.452e-01 1.083e+00 -0.351 0.035 0.386 -17.92 MgCO3 1.296e-04 1.296e-04 -3.887 -3.887 0.000 -17.09 - MgOH+ 5.153e-05 3.764e-05 -4.288 -4.424 -0.136 (0) + MgOH+ 5.159e-05 3.769e-05 -4.287 -4.424 -0.136 (0) Na 4.036e+00 Na+ 4.036e+00 5.415e+00 0.606 0.734 0.128 1.32 S(6) 1.746e-01 - SO4-2 1.746e-01 1.436e-03 -0.758 -2.843 -2.085 26.50 - HSO4- 1.061e-08 4.957e-09 -7.974 -8.305 -0.330 42.00 + SO4-2 1.746e-01 1.435e-03 -0.758 -2.843 -2.085 26.50 + HSO4- 1.059e-08 4.950e-09 -7.975 -8.305 -0.330 42.00 ------------------------------Saturation indices------------------------------- @@ -1505,9 +1514,9 @@ S(6) 1.746e-01 Arcanite -3.52 -5.30 -1.78 K2SO4 Bischofite -4.07 0.39 4.46 MgCl2:6H2O Bloedite -2.20 -4.55 -2.35 Na2Mg(SO4)2:4H2O - Brucite -2.38 -13.26 -10.88 Mg(OH)2 + Brucite -2.37 -13.25 -10.88 Mg(OH)2 Burkeite -7.36 -8.13 -0.77 Na6CO3(SO4)2 - Calcite -0.00 -8.41 -8.41 CaCO3 + Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -4.72 -0.39 4.33 KMgCl3:6H2O CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000. Dolomite 1.86 -15.22 -17.08 CaMg(CO3)2 @@ -1534,10 +1543,11 @@ S(6) 1.746e-01 Pentahydrite -1.98 -3.26 -1.28 MgSO4:5H2O Pirssonite -4.74 -13.97 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -3.34 -17.09 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.66 -14.85 -5.19 Ca(OH)2 + Portlandite -9.65 -14.84 -5.19 Ca(OH)2 Schoenite -4.32 -8.65 -4.33 K2Mg(SO4)2:6H2O Sylvite -1.68 -0.78 0.90 KCl Syngenite -2.34 -9.79 -7.45 K2Ca(SO4)2:H2O + Thenardite -1.03 -1.38 -0.35 Na2SO4 Trona -7.74 -19.12 -11.38 Na3H(CO3)2:2H2O @@ -1568,12 +1578,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.09 -4.32 -4.22 0.000e+00 0 0.000e+00 Bischofite -3.42 1.03 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 5.362e-06 -Calcite 0.00 -8.41 -8.41 4.086e-04 4.004e-04 -8.136e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 5.361e-06 +Calcite 0.00 -8.41 -8.41 4.074e-04 3.993e-04 -8.141e-06 Carnallite -3.74 0.59 4.33 0.000e+00 0 0.000e+00 Epsomite -1.31 -3.19 -1.88 0.000e+00 0 0.000e+00 Glauberite -0.02 -5.27 -5.25 0.000e+00 0 0.000e+00 -Gypsum 0.00 -4.58 -4.58 4.268e-03 4.966e-03 6.990e-04 +Gypsum 0.00 -4.58 -4.58 4.269e-03 4.968e-03 6.990e-04 Halite 0.00 1.57 1.57 0.000e+00 2.327e-02 2.327e-02 Hexahydrite -1.42 -3.06 -1.63 0.000e+00 0 0.000e+00 Kieserite -2.28 -2.40 -0.12 0.000e+00 0 0.000e+00 @@ -1584,8 +1594,8 @@ Polyhalite -2.40 -16.14 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 9.785e-03 4.401e-04 - C 9.143e-04 4.113e-05 - Ca 1.054e-02 4.743e-04 + C 9.135e-04 4.109e-05 + Ca 1.055e-02 4.743e-04 Cl 5.998e+00 2.698e-01 K 1.103e-01 4.960e-03 Mg 6.241e-01 2.807e-02 @@ -1603,16 +1613,16 @@ Polyhalite -2.40 -16.14 -13.74 0.000e+00 0 0.000e+00 Ionic strength = 7.354e+00 Mass of water (kg) = 4.498e-02 Total alkalinity (eq/kg) = 1.500e-03 - Total CO2 (mol/kg) = 9.143e-04 + Total CO2 (mol/kg) = 9.135e-04 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.39 Iterations = 15 Gamma iterations = 5 Osmotic coefficient = 1.37578 Density of water = 0.99704 - Total H = 4.993375e+00 - Total O = 2.538021e+00 + Total H = 4.993368e+00 + Total O = 2.538013e+00 ----------------------------Distribution of species---------------------------- @@ -1620,18 +1630,18 @@ Polyhalite -2.40 -16.14 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 9.013e-07 1.806e-07 -6.045 -6.743 -0.698 5.32 - H+ 4.812e-09 4.131e-08 -8.318 -7.384 0.934 0.00 + OH- 9.066e-07 1.817e-07 -6.043 -6.741 -0.698 6.44 + H+ 4.805e-09 4.126e-08 -8.318 -7.384 0.934 0.00 H2O 5.551e+01 7.405e-01 1.744 -0.130 0.000 18.07 Br 9.785e-03 Br- 9.785e-03 8.930e-03 -2.009 -2.049 -0.040 27.34 -C(4) 9.143e-04 - HCO3- 5.083e-04 8.949e-05 -3.294 -4.048 -0.754 40.27 +C(4) 9.135e-04 + HCO3- 5.076e-04 8.937e-05 -3.294 -4.049 -0.754 40.27 MgCO3 3.704e-04 3.704e-04 -3.431 -3.431 0.000 -17.09 - CO3-2 3.187e-05 9.918e-08 -4.497 -7.004 -2.507 10.45 - CO2 3.709e-06 1.096e-05 -5.431 -4.960 0.471 30.26 -Ca 1.054e-02 - Ca+2 1.054e-02 3.957e-02 -1.977 -1.403 0.574 -13.75 + CO3-2 3.186e-05 9.917e-08 -4.497 -7.004 -2.507 10.45 + CO2 3.699e-06 1.093e-05 -5.432 -4.961 0.471 29.09 +Ca 1.055e-02 + Ca+2 1.055e-02 3.957e-02 -1.977 -1.403 0.574 -13.76 Cl 5.998e+00 Cl- 5.998e+00 3.852e+00 0.778 0.586 -0.192 20.28 K 1.103e-01 @@ -1639,12 +1649,12 @@ K 1.103e-01 Mg 6.241e-01 Mg+2 6.235e-01 4.407e+00 -0.205 0.644 0.849 -17.19 MgCO3 3.704e-04 3.704e-04 -3.431 -3.431 0.000 -17.09 - MgOH+ 1.864e-04 1.226e-04 -3.730 -3.911 -0.182 (0) + MgOH+ 1.866e-04 1.228e-04 -3.729 -3.911 -0.182 (0) Na 5.138e+00 Na+ 5.138e+00 9.646e+00 0.711 0.984 0.274 1.79 S(6) 2.291e-01 SO4-2 2.291e-01 1.211e-03 -0.640 -2.917 -2.277 28.20 - HSO4- 1.093e-08 4.766e-09 -7.961 -8.322 -0.360 42.17 + HSO4- 1.091e-08 4.759e-09 -7.962 -8.322 -0.360 42.17 ------------------------------Saturation indices------------------------------- @@ -1672,23 +1682,24 @@ S(6) 2.291e-01 Kainite -2.91 -3.10 -0.19 KMgClSO4:3H2O Kalicinite -5.35 -15.41 -10.06 KHCO3 Kieserite -2.28 -2.40 -0.12 MgSO4:H2O - Labile_S -0.80 -6.48 -5.67 Na4Ca(SO4)3:2H2O + Labile_S -0.81 -6.48 -5.67 Na4Ca(SO4)3:2H2O Leonhardite -1.91 -2.79 -0.89 MgSO4:4H2O Leonite -3.78 -7.76 -3.98 K2Mg(SO4)2:4H2O Magnesite 1.47 -6.36 -7.83 MgCO3 Mirabilite -1.04 -2.25 -1.21 Na2SO4:10H2O - Misenite -62.11 -72.92 -10.81 K8H6(SO4)7 + Misenite -62.12 -72.92 -10.81 K8H6(SO4)7 Nahcolite -2.66 -13.40 -10.74 NaHCO3 Natron -5.51 -6.34 -0.82 Na2CO3:10H2O Nesquehonite -1.58 -6.75 -5.17 MgCO3:3H2O Pentahydrite -1.64 -2.93 -1.28 MgSO4:5H2O Pirssonite -4.47 -13.70 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -2.40 -16.14 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.70 -14.89 -5.19 Ca(OH)2 + Portlandite -9.69 -14.88 -5.19 Ca(OH)2 Schoenite -3.69 -8.02 -4.33 K2Mg(SO4)2:6H2O Sylvite -1.34 -0.44 0.90 KCl Syngenite -1.97 -9.42 -7.45 K2Ca(SO4)2:H2O - Trona -7.31 -18.70 -11.38 Na3H(CO3)2:2H2O + Thenardite -0.60 -0.95 -0.35 Na2SO4 + Trona -7.32 -18.70 -11.38 Na3H(CO3)2:2H2O Reaction step 11. @@ -1718,12 +1729,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.08 -4.31 -4.22 0.000e+00 0 0.000e+00 Bischofite -3.11 1.34 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.270e-06 -Calcite -0.00 -8.41 -8.41 4.004e-04 3.970e-04 -3.400e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.266e-06 +Calcite 0.00 -8.41 -8.41 3.993e-04 3.959e-04 -3.407e-06 Carnallite -3.17 1.16 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 2.034e-03 2.034e-03 -Gypsum 0.00 -4.58 -4.58 4.966e-03 3.182e-03 -1.784e-03 +Glauberite 0.00 -5.24 -5.25 0.000e+00 2.033e-03 2.033e-03 +Gypsum 0.00 -4.58 -4.58 4.968e-03 3.184e-03 -1.783e-03 Halite 0.00 1.57 1.57 2.327e-02 1.303e-01 1.071e-01 Hexahydrite -1.10 -2.73 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.93 -2.05 -0.12 0.000e+00 0 0.000e+00 @@ -1734,13 +1745,13 @@ Polyhalite -1.50 -15.25 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 1.628e-02 4.401e-04 - C 1.489e-03 4.026e-05 + C 1.489e-03 4.023e-05 Ca 8.447e-03 2.283e-04 Cl 6.020e+00 1.627e-01 K 1.835e-01 4.960e-03 Mg 1.039e+00 2.807e-02 Na 4.438e+00 1.200e-01 - S 2.968e-01 8.022e-03 + S 2.968e-01 8.021e-03 ----------------------------Description of solution---------------------------- @@ -1755,14 +1766,14 @@ Polyhalite -1.50 -15.25 -13.74 0.000e+00 0 0.000e+00 Total alkalinity (eq/kg) = 2.748e-03 Total CO2 (mol/kg) = 1.489e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.62 Iterations = 12 Gamma iterations = 4 Osmotic coefficient = 1.45089 Density of water = 0.99704 - Total H = 3.000512e+00 - Total O = 1.532459e+00 + Total H = 3.000501e+00 + Total O = 1.532453e+00 ----------------------------Distribution of species---------------------------- @@ -1770,31 +1781,31 @@ Polyhalite -1.50 -15.25 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.275e-06 1.848e-07 -5.895 -6.733 -0.839 6.03 - H+ 4.083e-09 3.983e-08 -8.389 -7.400 0.989 0.00 + OH- 1.282e-06 1.859e-07 -5.892 -6.731 -0.839 7.27 + H+ 4.077e-09 3.978e-08 -8.390 -7.400 0.989 0.00 H2O 5.551e+01 7.307e-01 1.744 -0.136 0.000 18.07 Br 1.628e-02 Br- 1.628e-02 1.609e-02 -1.788 -1.794 -0.005 27.45 C(4) 1.489e-03 MgCO3 8.205e-04 8.205e-04 -3.086 -3.086 0.000 -17.09 - HCO3- 5.998e-04 9.159e-05 -3.222 -4.038 -0.816 41.55 + HCO3- 5.990e-04 9.147e-05 -3.223 -4.039 -0.816 41.55 CO3-2 6.550e-05 1.053e-07 -4.184 -6.978 -2.794 11.26 - CO2 3.528e-06 1.096e-05 -5.453 -4.960 0.492 30.26 + CO2 3.518e-06 1.093e-05 -5.454 -4.961 0.492 29.09 Ca 8.447e-03 Ca+2 8.447e-03 3.727e-02 -2.073 -1.429 0.645 -13.50 Cl 6.020e+00 Cl- 6.020e+00 3.970e+00 0.780 0.599 -0.181 20.37 K 1.835e-01 - K+ 1.835e-01 1.655e-01 -0.736 -0.781 -0.045 13.00 + K+ 1.835e-01 1.656e-01 -0.736 -0.781 -0.045 13.00 Mg 1.039e+00 Mg+2 1.037e+00 9.196e+00 0.016 0.964 0.948 -16.90 MgCO3 8.205e-04 8.205e-04 -3.086 -3.086 0.000 -17.09 - MgOH+ 3.749e-04 2.619e-04 -3.426 -3.582 -0.156 (0) + MgOH+ 3.754e-04 2.622e-04 -3.425 -3.581 -0.156 (0) Na 4.438e+00 Na+ 4.438e+00 9.358e+00 0.647 0.971 0.324 1.97 S(6) 2.968e-01 SO4-2 2.968e-01 1.320e-03 -0.528 -2.879 -2.352 28.81 - HSO4- 9.651e-09 5.009e-09 -8.015 -8.300 -0.285 42.23 + HSO4- 9.638e-09 5.002e-09 -8.016 -8.301 -0.285 42.23 ------------------------------Saturation indices------------------------------- @@ -1807,14 +1818,14 @@ S(6) 2.968e-01 Bloedite -1.05 -3.40 -2.35 Na2Mg(SO4)2:4H2O Brucite -1.62 -12.50 -10.88 Mg(OH)2 Burkeite -6.14 -6.91 -0.77 Na6CO3(SO4)2 - Calcite -0.00 -8.41 -8.41 CaCO3 + Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -3.17 1.16 4.33 KMgCl3:6H2O CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000. Dolomite 2.66 -14.42 -17.08 CaMg(CO3)2 Epsomite -0.99 -2.87 -1.88 MgSO4:7H2O Gaylussite -4.70 -14.12 -9.42 CaNa2(CO3)2:5H2O Glaserite -3.33 -7.13 -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) -1.64 -0.14 1.50 H2O Halite 0.00 1.57 1.57 NaCl @@ -1827,17 +1838,18 @@ S(6) 2.968e-01 Leonite -2.92 -6.90 -3.98 K2Mg(SO4)2:4H2O Magnesite 1.82 -6.01 -7.83 MgCO3 Mirabilite -1.09 -2.30 -1.21 Na2SO4:10H2O - Misenite -60.00 -70.80 -10.81 K8H6(SO4)7 + Misenite -60.00 -70.81 -10.81 K8H6(SO4)7 Nahcolite -2.66 -13.41 -10.74 NaHCO3 Natron -5.57 -6.40 -0.82 Na2CO3:10H2O Nesquehonite -1.26 -6.42 -5.17 MgCO3:3H2O Pentahydrite -1.31 -2.60 -1.28 MgSO4:5H2O Pirssonite -4.48 -13.71 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -1.50 -15.25 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.71 -14.90 -5.19 Ca(OH)2 + Portlandite -9.70 -14.89 -5.19 Ca(OH)2 Schoenite -2.85 -7.17 -4.33 K2Mg(SO4)2:6H2O Sylvite -1.08 -0.18 0.90 KCl Syngenite -1.44 -8.89 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.59 -0.94 -0.35 Na2SO4 Trona -7.33 -18.71 -11.38 Na3H(CO3)2:2H2O @@ -1868,12 +1880,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.08 -4.30 -4.22 0.000e+00 0 0.000e+00 Bischofite -2.98 1.47 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.288e-06 -Calcite 0.00 -8.41 -8.41 3.970e-04 3.941e-04 -2.972e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.287e-06 +Calcite 0.00 -8.41 -8.41 3.959e-04 3.929e-04 -2.974e-06 Carnallite -2.94 1.39 4.33 0.000e+00 0 0.000e+00 Epsomite -0.87 -2.75 -1.88 0.000e+00 0 0.000e+00 -Glauberite -0.00 -5.25 -5.25 2.034e-03 2.551e-03 5.174e-04 -Gypsum 0.00 -4.58 -4.58 3.182e-03 2.724e-03 -4.587e-04 +Glauberite -0.00 -5.25 -5.25 2.033e-03 2.550e-03 5.174e-04 +Gypsum 0.00 -4.58 -4.58 3.184e-03 2.726e-03 -4.587e-04 Halite 0.00 1.57 1.57 1.303e-01 1.569e-01 2.656e-02 Hexahydrite -0.98 -2.61 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.79 -1.91 -0.12 0.000e+00 0 0.000e+00 @@ -1884,7 +1896,7 @@ Polyhalite -1.16 -14.91 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 1.953e-02 4.401e-04 - C 1.861e-03 4.194e-05 + C 1.860e-03 4.192e-05 Ca 7.656e-03 1.726e-04 Cl 6.040e+00 1.362e-01 K 2.200e-01 4.960e-03 @@ -1894,25 +1906,25 @@ Polyhalite -1.16 -14.91 -13.74 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- - pH = 7.402 Charge balance + pH = 7.403 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 495832 + Specific Conductance (uS/cm, 25 oC) = 495833 Density (g/cm3) = 1.22557 Volume (L) = 0.02579 Activity of water = 0.725 Ionic strength = 8.353e+00 Mass of water (kg) = 2.254e-02 Total alkalinity (eq/kg) = 3.559e-03 - Total CO2 (mol/kg) = 1.861e-03 + Total CO2 (mol/kg) = 1.860e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.74 Iterations = 9 Gamma iterations = 3 Osmotic coefficient = 1.49143 Density of water = 0.99704 - Total H = 2.502346e+00 - Total O = 1.281079e+00 + Total H = 2.502335e+00 + Total O = 1.281073e+00 ----------------------------Distribution of species---------------------------- @@ -1920,16 +1932,16 @@ Polyhalite -1.16 -14.91 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.493e-06 1.845e-07 -5.826 -6.734 -0.908 6.39 - H+ 3.776e-09 3.960e-08 -8.423 -7.402 1.021 0.00 + OH- 1.502e-06 1.856e-07 -5.823 -6.731 -0.908 7.69 + H+ 3.771e-09 3.955e-08 -8.424 -7.403 1.021 0.00 H2O 5.551e+01 7.251e-01 1.744 -0.140 0.000 18.07 Br 1.953e-02 Br- 1.953e-02 2.005e-02 -1.709 -1.698 0.011 27.51 -C(4) 1.861e-03 +C(4) 1.860e-03 MgCO3 1.120e-03 1.120e-03 -2.951 -2.951 0.000 -17.09 - HCO3- 6.470e-04 9.142e-05 -3.189 -4.039 -0.850 42.20 + HCO3- 6.461e-04 9.129e-05 -3.190 -4.040 -0.850 42.20 CO3-2 9.058e-05 1.057e-07 -4.043 -6.976 -2.933 11.66 - CO2 3.434e-06 1.096e-05 -5.464 -4.960 0.504 30.26 + CO2 3.425e-06 1.093e-05 -5.465 -4.961 0.504 29.09 Ca 7.656e-03 Ca+2 7.656e-03 3.713e-02 -2.116 -1.430 0.686 -13.38 Cl 6.040e+00 @@ -1939,12 +1951,12 @@ K 2.200e-01 Mg 1.245e+00 Mg+2 1.244e+00 1.250e+01 0.095 1.097 1.002 -16.76 MgCO3 1.120e-03 1.120e-03 -2.951 -2.951 0.000 -17.09 - MgOH+ 4.900e-04 3.553e-04 -3.310 -3.449 -0.140 (0) + MgOH+ 4.906e-04 3.558e-04 -3.309 -3.449 -0.140 (0) Na 4.098e+00 Na+ 4.098e+00 9.198e+00 0.613 0.964 0.351 2.06 S(6) 3.303e-01 SO4-2 3.303e-01 1.346e-03 -0.481 -2.871 -2.390 29.11 - HSO4- 8.990e-09 5.077e-09 -8.046 -8.294 -0.248 42.25 + HSO4- 8.978e-09 5.070e-09 -8.047 -8.295 -0.248 42.25 ------------------------------Saturation indices------------------------------- @@ -1977,17 +1989,18 @@ S(6) 3.303e-01 Leonite -2.60 -6.58 -3.98 K2Mg(SO4)2:4H2O Magnesite 1.95 -5.88 -7.83 MgCO3 Mirabilite -1.13 -2.34 -1.21 Na2SO4:10H2O - Misenite -59.22 -70.03 -10.81 K8H6(SO4)7 - Nahcolite -2.67 -13.41 -10.74 NaHCO3 + Misenite -59.23 -70.03 -10.81 K8H6(SO4)7 + Nahcolite -2.67 -13.42 -10.74 NaHCO3 Natron -5.62 -6.44 -0.82 Na2CO3:10H2O Nesquehonite -1.13 -6.30 -5.17 MgCO3:3H2O Pentahydrite -1.19 -2.47 -1.28 MgSO4:5H2O Pirssonite -4.50 -13.73 -9.23 Na2Ca(CO3)2:2H2O Polyhalite -1.16 -14.91 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.71 -14.90 -5.19 Ca(OH)2 + Portlandite -9.70 -14.89 -5.19 Ca(OH)2 Schoenite -2.53 -6.86 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.98 -0.08 0.90 KCl Syngenite -1.24 -8.69 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.59 -0.94 -0.35 Na2SO4 Trona -7.36 -18.74 -11.38 Na3H(CO3)2:2H2O @@ -2019,11 +2032,11 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.07 -4.29 -4.22 0.000e+00 0 0.000e+00 Bischofite -2.81 1.65 4.46 0.000e+00 0 0.000e+00 CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.506e-06 -Calcite 0.00 -8.41 -8.41 3.941e-04 3.876e-04 -6.469e-06 +Calcite 0.00 -8.41 -8.41 3.929e-04 3.864e-04 -6.471e-06 Carnallite -2.64 1.69 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 -5.25 -5.25 2.551e-03 2.909e-03 3.576e-04 -Gypsum 0.00 -4.58 -4.58 2.724e-03 2.427e-03 -2.966e-04 +Glauberite 0.00 -5.24 -5.25 2.550e-03 2.908e-03 3.576e-04 +Gypsum 0.00 -4.58 -4.58 2.726e-03 2.429e-03 -2.966e-04 Halite 0.00 1.57 1.57 1.569e-01 1.834e-01 2.651e-02 Hexahydrite -0.81 -2.45 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.60 -1.72 -0.12 0.000e+00 0 0.000e+00 @@ -2034,7 +2047,7 @@ Polyhalite -0.71 -14.45 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 2.439e-02 4.401e-04 - C 2.599e-03 4.690e-05 + C 2.598e-03 4.688e-05 Ca 6.539e-03 1.180e-04 Cl 6.075e+00 1.096e-01 K 2.748e-01 4.960e-03 @@ -2044,25 +2057,25 @@ Polyhalite -0.71 -14.45 -13.74 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- - pH = 7.406 Charge balance + pH = 7.407 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 515133 + Specific Conductance (uS/cm, 25 oC) = 515135 Density (g/cm3) = 1.23219 Volume (L) = 0.02068 Activity of water = 0.716 Ionic strength = 8.890e+00 Mass of water (kg) = 1.805e-02 Total alkalinity (eq/kg) = 5.162e-03 - Total CO2 (mol/kg) = 2.599e-03 + Total CO2 (mol/kg) = 2.598e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.90 Iterations = 10 Gamma iterations = 4 - Osmotic coefficient = 1.55543 + Osmotic coefficient = 1.55542 Density of water = 0.99704 - Total H = 2.003533e+00 - Total O = 1.030014e+00 + Total H = 2.003522e+00 + Total O = 1.030008e+00 ----------------------------Distribution of species---------------------------- @@ -2070,18 +2083,18 @@ Polyhalite -0.71 -14.45 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 1.883e-06 1.836e-07 -5.725 -6.736 -1.011 6.97 - H+ 3.323e-09 3.927e-08 -8.479 -7.406 1.073 0.00 + OH- 1.894e-06 1.847e-07 -5.723 -6.733 -1.011 8.37 + H+ 3.318e-09 3.921e-08 -8.479 -7.407 1.073 0.00 H2O 5.551e+01 7.157e-01 1.744 -0.145 0.000 18.07 Br 2.439e-02 Br- 2.439e-02 2.652e-02 -1.613 -1.576 0.036 27.59 -C(4) 2.599e-03 +C(4) 2.598e-03 MgCO3 1.718e-03 1.718e-03 -2.765 -2.765 0.000 -17.09 - HCO3- 7.320e-04 9.100e-05 -3.135 -4.041 -0.905 43.25 - CO3-2 1.452e-04 1.061e-07 -3.838 -6.974 -3.136 12.31 - CO2 3.281e-06 1.096e-05 -5.484 -4.960 0.524 30.26 + HCO3- 7.310e-04 9.088e-05 -3.136 -4.042 -0.905 43.25 + CO3-2 1.451e-04 1.061e-07 -3.838 -6.974 -3.136 12.31 + CO2 3.272e-06 1.093e-05 -5.485 -4.961 0.524 29.09 Ca 6.539e-03 - Ca+2 6.539e-03 3.698e-02 -2.185 -1.432 0.753 -13.17 + Ca+2 6.539e-03 3.698e-02 -2.184 -1.432 0.752 -13.17 Cl 6.075e+00 Cl- 6.075e+00 4.154e+00 0.784 0.618 -0.165 20.47 K 2.748e-01 @@ -2089,12 +2102,12 @@ K 2.748e-01 Mg 1.555e+00 Mg+2 1.553e+00 1.911e+01 0.191 1.281 1.090 -16.53 MgCO3 1.718e-03 1.718e-03 -2.765 -2.765 0.000 -17.09 - MgOH+ 7.008e-04 5.407e-04 -3.154 -3.267 -0.113 (0) + MgOH+ 7.017e-04 5.415e-04 -3.154 -3.266 -0.113 (0) Na 3.609e+00 - Na+ 3.609e+00 8.943e+00 0.557 0.951 0.394 2.20 + Na+ 3.609e+00 8.943e+00 0.557 0.952 0.394 2.20 S(6) 3.893e-01 SO4-2 3.893e-01 1.387e-03 -0.410 -2.858 -2.448 29.58 - HSO4- 8.131e-09 5.188e-09 -8.090 -8.285 -0.195 42.29 + HSO4- 8.120e-09 5.181e-09 -8.090 -8.286 -0.195 42.29 ------------------------------Saturation indices------------------------------- @@ -2114,7 +2127,7 @@ S(6) 3.893e-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 -5.25 -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) -1.65 -0.15 1.50 H2O Halite 0.00 1.57 1.57 NaCl @@ -2127,7 +2140,7 @@ S(6) 3.893e-01 Leonite -2.18 -6.16 -3.98 K2Mg(SO4)2:4H2O Magnesite 2.14 -5.69 -7.83 MgCO3 Mirabilite -1.19 -2.41 -1.21 Na2SO4:10H2O - Misenite -58.22 -69.03 -10.81 K8H6(SO4)7 + Misenite -58.23 -69.03 -10.81 K8H6(SO4)7 Nahcolite -2.69 -13.43 -10.74 NaHCO3 Natron -5.70 -6.52 -0.82 Na2CO3:10H2O Nesquehonite -0.96 -6.13 -5.17 MgCO3:3H2O @@ -2138,6 +2151,7 @@ S(6) 3.893e-01 Schoenite -2.12 -6.45 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.85 0.05 0.90 KCl Syngenite -0.99 -8.44 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.61 -0.96 -0.35 Na2SO4 Trona -7.41 -18.79 -11.38 Na3H(CO3)2:2H2O @@ -2168,13 +2182,13 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.05 -4.28 -4.22 0.000e+00 0 0.000e+00 Bischofite -2.64 1.82 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.362e-06 -Calcite 0.00 -8.41 -8.41 3.876e-04 3.777e-04 -9.938e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 1.363e-06 +Calcite 0.00 -8.41 -8.41 3.864e-04 3.765e-04 -9.939e-06 Carnallite -2.35 1.98 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 2.909e-03 2.946e-03 3.731e-05 -Gypsum 0.00 -4.58 -4.58 2.427e-03 2.437e-03 9.592e-06 -Halite 0.00 1.57 1.57 1.834e-01 2.020e-01 1.864e-02 +Glauberite 0.00 -5.24 -5.25 2.908e-03 2.945e-03 3.733e-05 +Gypsum 0.00 -4.58 -4.58 2.429e-03 2.439e-03 9.577e-06 +Halite 0.00 1.57 1.57 1.834e-01 2.021e-01 1.864e-02 Hexahydrite -0.66 -2.29 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.41 -1.53 -0.12 0.000e+00 0 0.000e+00 Polyhalite -0.27 -14.01 -13.74 0.000e+00 0 0.000e+00 @@ -2184,35 +2198,35 @@ Polyhalite -0.27 -14.01 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 2.959e-02 4.401e-04 - C 3.729e-03 5.548e-05 + C 3.728e-03 5.546e-05 Ca 5.448e-03 8.105e-05 Cl 6.117e+00 9.100e-02 K 3.334e-01 4.960e-03 Mg 1.887e+00 2.807e-02 Na 3.121e+00 4.643e-02 - S 4.667e-01 6.943e-03 + S 4.667e-01 6.942e-03 ----------------------------Description of solution---------------------------- pH = 7.410 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 539390 + Specific Conductance (uS/cm, 25 oC) = 539391 Density (g/cm3) = 1.24050 Volume (L) = 0.01709 Activity of water = 0.704 Ionic strength = 9.513e+00 Mass of water (kg) = 1.488e-02 Total alkalinity (eq/kg) = 7.598e-03 - Total CO2 (mol/kg) = 3.729e-03 + Total CO2 (mol/kg) = 3.728e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.06 Iterations = 10 Gamma iterations = 4 Osmotic coefficient = 1.62789 Density of water = 0.99704 - Total H = 1.651494e+00 - Total O = 8.536850e-01 + Total H = 1.651483e+00 + Total O = 8.536789e-01 ----------------------------Distribution of species---------------------------- @@ -2220,16 +2234,16 @@ Polyhalite -0.27 -14.01 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 2.395e-06 1.822e-07 -5.621 -6.739 -1.119 7.63 - H+ 2.854e-09 3.893e-08 -8.545 -7.410 1.135 0.00 + OH- 2.410e-06 1.833e-07 -5.618 -6.737 -1.119 9.15 + H+ 2.850e-09 3.888e-08 -8.545 -7.410 1.135 0.00 H2O 5.551e+01 7.041e-01 1.744 -0.152 0.000 18.07 Br 2.959e-02 Br- 2.959e-02 3.424e-02 -1.529 -1.465 0.063 27.69 -C(4) 3.729e-03 +C(4) 3.728e-03 MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 -17.09 - HCO3- 8.487e-04 9.030e-05 -3.071 -4.044 -0.973 44.45 + HCO3- 8.475e-04 9.018e-05 -3.072 -4.045 -0.973 44.45 CO3-2 2.356e-04 1.062e-07 -3.628 -6.974 -3.346 13.04 - CO2 3.098e-06 1.096e-05 -5.509 -4.960 0.549 30.26 + CO2 3.090e-06 1.093e-05 -5.510 -4.961 0.549 29.09 Ca 5.448e-03 Ca+2 5.448e-03 3.695e-02 -2.264 -1.432 0.831 -12.94 Cl 6.117e+00 @@ -2239,12 +2253,12 @@ K 3.334e-01 Mg 1.887e+00 Mg+2 1.883e+00 2.935e+01 0.275 1.468 1.193 -16.26 MgCO3 2.642e-03 2.642e-03 -2.578 -2.578 0.000 -17.09 - MgOH+ 9.920e-04 8.242e-04 -3.003 -3.084 -0.080 (0) + MgOH+ 9.933e-04 8.253e-04 -3.003 -3.083 -0.080 (0) Na 3.121e+00 Na+ 3.121e+00 8.652e+00 0.494 0.937 0.443 2.36 S(6) 4.667e-01 SO4-2 4.667e-01 1.434e-03 -0.331 -2.843 -2.512 30.10 - HSO4- 7.368e-09 5.319e-09 -8.133 -8.274 -0.142 42.34 + HSO4- 7.358e-09 5.311e-09 -8.133 -8.275 -0.142 42.34 ------------------------------Saturation indices------------------------------- @@ -2264,7 +2278,7 @@ S(6) 4.667e-01 Epsomite -0.56 -2.44 -1.88 MgSO4:7H2O Gaylussite -4.85 -14.27 -9.42 CaNa2(CO3)2:5H2O Glaserite -2.35 -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 @@ -2277,8 +2291,8 @@ S(6) 4.667e-01 Leonite -1.78 -5.76 -3.98 K2Mg(SO4)2:4H2O Magnesite 2.33 -5.51 -7.83 MgCO3 Mirabilite -1.28 -2.49 -1.21 Na2SO4:10H2O - Misenite -57.29 -68.10 -10.81 K8H6(SO4)7 - Nahcolite -2.70 -13.45 -10.74 NaHCO3 + Misenite -57.30 -68.10 -10.81 K8H6(SO4)7 + Nahcolite -2.71 -13.45 -10.74 NaHCO3 Natron -5.80 -6.62 -0.82 Na2CO3:10H2O Nesquehonite -0.80 -5.96 -5.17 MgCO3:3H2O Pentahydrite -0.85 -2.14 -1.28 MgSO4:5H2O @@ -2288,6 +2302,7 @@ S(6) 4.667e-01 Schoenite -1.74 -6.07 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.73 0.17 0.90 KCl Syngenite -0.76 -8.21 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.62 -0.97 -0.35 Na2SO4 Trona -7.47 -18.85 -11.38 Na3H(CO3)2:2H2O @@ -2318,13 +2333,13 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.05 -4.27 -4.22 0.000e+00 0 0.000e+00 Bischofite -2.57 1.88 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.772e-07 -Calcite 0.00 -8.41 -8.41 3.777e-04 3.731e-04 -4.596e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.777e-07 +Calcite 0.00 -8.41 -8.41 3.765e-04 3.719e-04 -4.596e-06 Carnallite -2.24 2.09 4.33 0.000e+00 0 0.000e+00 Epsomite -0.51 -2.39 -1.88 0.000e+00 0 0.000e+00 -Glauberite 0.00 -5.25 -5.25 2.946e-03 2.894e-03 -5.167e-05 -Gypsum 0.00 -4.58 -4.58 2.437e-03 2.503e-03 6.638e-05 -Halite 0.00 1.57 1.57 2.020e-01 2.073e-01 5.297e-03 +Glauberite 0.00 -5.25 -5.25 2.945e-03 2.893e-03 -5.167e-05 +Gypsum 0.00 -4.58 -4.58 2.439e-03 2.505e-03 6.638e-05 +Halite 0.00 1.57 1.57 2.021e-01 2.073e-01 5.297e-03 Hexahydrite -0.60 -2.23 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.34 -1.46 -0.12 0.000e+00 0 0.000e+00 Polyhalite -0.11 -13.86 -13.74 0.000e+00 0 0.000e+00 @@ -2334,35 +2349,35 @@ Polyhalite -0.11 -13.86 -13.74 0.000e+00 0 0.000e+00 Elements Molality Moles Br 3.150e-02 4.401e-04 - C 4.265e-03 5.960e-05 + C 4.264e-03 5.958e-05 Ca 5.077e-03 7.094e-05 Cl 6.133e+00 8.570e-02 K 3.550e-01 4.960e-03 Mg 2.009e+00 2.807e-02 Na 2.951e+00 4.123e-02 - S 4.995e-01 6.980e-03 + S 4.995e-01 6.979e-03 ----------------------------Description of solution---------------------------- - pH = 7.411 Charge balance + pH = 7.412 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 548763 + Specific Conductance (uS/cm, 25 oC) = 548764 Density (g/cm3) = 1.24393 Volume (L) = 0.01608 Activity of water = 0.699 Ionic strength = 9.755e+00 Mass of water (kg) = 1.397e-02 Total alkalinity (eq/kg) = 8.747e-03 - Total CO2 (mol/kg) = 4.265e-03 + Total CO2 (mol/kg) = 4.264e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.11 Iterations = 8 Gamma iterations = 3 - Osmotic coefficient = 1.65552 + Osmotic coefficient = 1.65551 Density of water = 0.99704 - Total H = 1.551229e+00 - Total O = 8.037129e-01 + Total H = 1.551218e+00 + Total O = 8.037068e-01 ----------------------------Distribution of species---------------------------- @@ -2370,31 +2385,31 @@ Polyhalite -0.11 -13.86 -13.74 0.000e+00 0 0.000e+00 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 2.612e-06 1.816e-07 -5.583 -6.741 -1.158 7.88 - H+ 2.687e-09 3.882e-08 -8.571 -7.411 1.160 0.00 + OH- 2.627e-06 1.826e-07 -5.580 -6.738 -1.158 9.44 + H+ 2.683e-09 3.876e-08 -8.571 -7.412 1.160 0.00 H2O 5.551e+01 6.995e-01 1.744 -0.155 0.000 18.07 Br 3.150e-02 Br- 3.150e-02 3.730e-02 -1.502 -1.428 0.073 27.73 -C(4) 4.265e-03 +C(4) 4.264e-03 MgCO3 3.082e-03 3.082e-03 -2.511 -2.511 0.000 -17.09 - HCO3- 9.004e-04 8.997e-05 -3.046 -4.046 -1.000 44.90 + HCO3- 8.991e-04 8.984e-05 -3.046 -4.047 -1.000 44.90 CO3-2 2.800e-04 1.061e-07 -3.553 -6.974 -3.421 13.31 - CO2 3.026e-06 1.096e-05 -5.519 -4.960 0.559 30.26 + CO2 3.018e-06 1.093e-05 -5.520 -4.961 0.559 29.09 Ca 5.077e-03 Ca+2 5.077e-03 3.698e-02 -2.294 -1.432 0.862 -12.85 Cl 6.133e+00 - Cl- 6.133e+00 4.350e+00 0.788 0.639 -0.149 20.57 + Cl- 6.133e+00 4.350e+00 0.788 0.638 -0.149 20.57 K 3.550e-01 K+ 3.550e-01 3.701e-01 -0.450 -0.432 0.018 13.75 Mg 2.009e+00 Mg+2 2.005e+00 3.427e+01 0.302 1.535 1.233 -16.16 MgCO3 3.082e-03 3.082e-03 -2.511 -2.511 0.000 -17.09 - MgOH+ 1.121e-03 9.586e-04 -2.951 -3.018 -0.068 (0) + MgOH+ 1.122e-03 9.599e-04 -2.950 -3.018 -0.068 (0) Na 2.951e+00 Na+ 2.951e+00 8.541e+00 0.470 0.931 0.462 2.41 S(6) 4.995e-01 SO4-2 4.995e-01 1.452e-03 -0.301 -2.838 -2.536 30.29 - HSO4- 7.123e-09 5.370e-09 -8.147 -8.270 -0.123 42.35 + HSO4- 7.113e-09 5.363e-09 -8.148 -8.271 -0.123 42.35 ------------------------------Saturation indices------------------------------- @@ -2405,7 +2420,7 @@ S(6) 4.995e-01 Arcanite -1.93 -3.70 -1.78 K2SO4 Bischofite -2.57 1.88 4.46 MgCl2:6H2O Bloedite -0.55 -2.90 -2.35 Na2Mg(SO4)2:4H2O - Brucite -1.07 -11.95 -10.88 Mg(OH)2 + Brucite -1.06 -11.94 -10.88 Mg(OH)2 Burkeite -6.29 -7.06 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -2.24 2.09 4.33 KMgCl3:6H2O @@ -2438,6 +2453,7 @@ S(6) 4.995e-01 Schoenite -1.61 -5.94 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.69 0.21 0.90 KCl Syngenite -0.68 -8.13 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.62 -0.97 -0.35 Na2SO4 Trona -7.49 -18.88 -11.38 Na3H(CO3)2:2H2O @@ -2468,12 +2484,12 @@ 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 1.94 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.715e-07 -Calcite 0.00 -8.41 -8.41 3.731e-04 3.681e-04 -4.964e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.721e-07 +Calcite 0.00 -8.41 -8.41 3.719e-04 3.669e-04 -4.965e-06 Carnallite -2.16 2.17 4.33 0.000e+00 0 0.000e+00 Epsomite -0.46 -2.34 -1.88 0.000e+00 0 0.000e+00 -Glauberite -0.00 -5.25 -5.25 2.894e-03 2.592e-03 -3.023e-04 -Gypsum 0.00 -4.58 -4.58 2.503e-03 2.540e-03 3.668e-05 +Glauberite 0.00 -5.25 -5.25 2.893e-03 2.591e-03 -3.022e-04 +Gypsum 0.00 -4.58 -4.58 2.505e-03 2.542e-03 3.670e-05 Halite 0.00 1.57 1.57 2.073e-01 2.128e-01 5.477e-03 Hexahydrite -0.54 -2.18 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.26 -1.39 -0.12 0.000e+00 0 0.000e+00 @@ -2484,35 +2500,35 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 1.399e-04 1.399e-04 Elements Molality Moles Br 3.368e-02 4.401e-04 - C 4.905e-03 6.409e-05 + C 4.904e-03 6.407e-05 Ca 4.714e-03 6.159e-05 - Cl 6.140e+00 8.023e-02 + Cl 6.140e+00 8.022e-02 K 3.582e-01 4.680e-03 Mg 2.138e+00 2.793e-02 Na 2.783e+00 3.636e-02 - S 5.348e-01 6.988e-03 + S 5.348e-01 6.987e-03 ----------------------------Description of solution---------------------------- pH = 7.412 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 557669 + Specific Conductance (uS/cm, 25 oC) = 557671 Density (g/cm3) = 1.24730 Volume (L) = 0.01505 Activity of water = 0.695 Ionic strength = 1.000e+01 Mass of water (kg) = 1.307e-02 Total alkalinity (eq/kg) = 1.011e-02 - Total CO2 (mol/kg) = 4.905e-03 + Total CO2 (mol/kg) = 4.904e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.17 + Electrical balance (eq) = 2.253e-03 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.18 Iterations = 8 Gamma iterations = 3 - Osmotic coefficient = 1.68640 + Osmotic coefficient = 1.68639 Density of water = 0.99704 - Total H = 1.450522e+00 - Total O = 7.534058e-01 + Total H = 1.450511e+00 + Total O = 7.533999e-01 ----------------------------Distribution of species---------------------------- @@ -2520,16 +2536,16 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 1.399e-04 1.399e-04 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 2.865e-06 1.805e-07 -5.543 -6.743 -1.201 8.14 - H+ 2.528e-09 3.877e-08 -8.597 -7.412 1.186 0.00 + OH- 2.882e-06 1.816e-07 -5.540 -6.741 -1.201 9.75 + H+ 2.524e-09 3.871e-08 -8.598 -7.412 1.186 0.00 H2O 5.551e+01 6.946e-01 1.744 -0.158 0.000 18.07 Br 3.368e-02 Br- 3.368e-02 4.084e-02 -1.473 -1.389 0.084 27.76 -C(4) 4.905e-03 - MgCO3 3.608e-03 3.608e-03 -2.443 -2.443 0.000 -17.09 - HCO3- 9.581e-04 8.946e-05 -3.019 -4.048 -1.030 45.38 +C(4) 4.904e-03 + MgCO3 3.607e-03 3.607e-03 -2.443 -2.443 0.000 -17.09 + HCO3- 9.568e-04 8.934e-05 -3.019 -4.049 -1.030 45.38 CO3-2 3.365e-04 1.057e-07 -3.473 -6.976 -3.503 13.59 - CO2 2.951e-06 1.096e-05 -5.530 -4.960 0.570 30.26 + CO2 2.943e-06 1.093e-05 -5.531 -4.961 0.570 29.09 Ca 4.714e-03 Ca+2 4.714e-03 3.714e-02 -2.327 -1.430 0.896 -12.76 Cl 6.140e+00 @@ -2538,13 +2554,13 @@ K 3.582e-01 K+ 3.582e-01 3.815e-01 -0.446 -0.418 0.027 13.86 Mg 2.138e+00 Mg+2 2.133e+00 4.029e+01 0.329 1.605 1.276 -16.06 - MgCO3 3.608e-03 3.608e-03 -2.443 -2.443 0.000 -17.09 - MgOH+ 1.265e-03 1.121e-03 -2.898 -2.951 -0.053 (0) + MgCO3 3.607e-03 3.607e-03 -2.443 -2.443 0.000 -17.09 + MgOH+ 1.267e-03 1.122e-03 -2.897 -2.950 -0.053 (0) Na 2.783e+00 Na+ 2.783e+00 8.442e+00 0.444 0.926 0.482 2.48 S(6) 5.348e-01 SO4-2 5.348e-01 1.466e-03 -0.272 -2.834 -2.562 30.49 - HSO4- 6.859e-09 5.414e-09 -8.164 -8.266 -0.103 42.37 + HSO4- 6.850e-09 5.407e-09 -8.164 -8.267 -0.103 42.37 ------------------------------Saturation indices------------------------------- @@ -2564,7 +2580,7 @@ S(6) 5.348e-01 Epsomite -0.46 -2.34 -1.88 MgSO4:7H2O Gaylussite -4.90 -14.32 -9.42 CaNa2(CO3)2:5H2O Glaserite -2.19 -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 @@ -2577,17 +2593,18 @@ S(6) 5.348e-01 Leonite -1.55 -5.53 -3.98 K2Mg(SO4)2:4H2O Magnesite 2.46 -5.37 -7.83 MgCO3 Mirabilite -1.35 -2.56 -1.21 Na2SO4:10H2O - Misenite -56.85 -67.65 -10.81 K8H6(SO4)7 + Misenite -56.85 -67.66 -10.81 K8H6(SO4)7 Nahcolite -2.72 -13.46 -10.74 NaHCO3 Natron -5.88 -6.71 -0.82 Na2CO3:10H2O Nesquehonite -0.68 -5.85 -5.17 MgCO3:3H2O Pentahydrite -0.73 -2.02 -1.28 MgSO4:5H2O Pirssonite -4.61 -13.85 -9.23 Na2Ca(CO3)2:2H2O Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.73 -14.92 -5.19 Ca(OH)2 + Portlandite -9.72 -14.91 -5.19 Ca(OH)2 Schoenite -1.52 -5.85 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.67 0.23 0.90 KCl Syngenite -0.65 -8.09 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.63 -0.98 -0.35 Na2SO4 Trona -7.52 -18.90 -11.38 Na3H(CO3)2:2H2O @@ -2618,12 +2635,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.03 -4.26 -4.22 0.000e+00 0 0.000e+00 Bischofite -2.45 2.00 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.995e-07 -Calcite 0.00 -8.41 -8.41 3.681e-04 3.636e-04 -4.483e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.998e-07 +Calcite 0.00 -8.41 -8.41 3.669e-04 3.625e-04 -4.483e-06 Carnallite -2.14 2.19 4.33 0.000e+00 0 0.000e+00 Epsomite -0.40 -2.29 -1.88 0.000e+00 0 0.000e+00 -Glauberite 0.00 -5.25 -5.25 2.592e-03 1.882e-03 -7.103e-04 -Gypsum 0.00 -4.58 -4.58 2.540e-03 2.479e-03 -6.092e-05 +Glauberite 0.00 -5.25 -5.25 2.591e-03 1.881e-03 -7.103e-04 +Gypsum 0.00 -4.58 -4.58 2.542e-03 2.481e-03 -6.093e-05 Halite 0.00 1.57 1.57 2.128e-01 2.186e-01 5.797e-03 Hexahydrite -0.49 -2.12 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.20 -1.32 -0.12 0.000e+00 0 0.000e+00 @@ -2634,35 +2651,35 @@ Polyhalite 0.00 -13.74 -13.74 1.399e-04 5.319e-04 3.920e-04 Elements Molality Moles Br 3.621e-02 4.401e-04 - C 5.610e-03 6.818e-05 - Ca 4.391e-03 5.337e-05 + C 5.608e-03 6.815e-05 + Ca 4.392e-03 5.337e-05 Cl 6.124e+00 7.443e-02 K 3.206e-01 3.896e-03 Mg 2.266e+00 2.754e-02 Na 2.632e+00 3.198e-02 - S 5.679e-01 6.901e-03 + S 5.678e-01 6.901e-03 ----------------------------Description of solution---------------------------- pH = 7.411 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 563614 + Specific Conductance (uS/cm, 25 oC) = 563616 Density (g/cm3) = 1.24996 Volume (L) = 0.01400 Activity of water = 0.690 Ionic strength = 1.022e+01 Mass of water (kg) = 1.215e-02 Total alkalinity (eq/kg) = 1.161e-02 - Total CO2 (mol/kg) = 5.610e-03 + Total CO2 (mol/kg) = 5.608e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.25 Iterations = 9 Gamma iterations = 3 Osmotic coefficient = 1.72044 Density of water = 0.99704 - Total H = 1.349198e+00 - Total O = 7.024111e-01 + Total H = 1.349187e+00 + Total O = 7.024051e-01 ----------------------------Distribution of species---------------------------- @@ -2670,18 +2687,18 @@ Polyhalite 0.00 -13.74 -13.74 1.399e-04 5.319e-04 3.920e-04 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 3.154e-06 1.790e-07 -5.501 -6.747 -1.246 8.37 - H+ 2.400e-09 3.886e-08 -8.620 -7.411 1.209 0.00 + OH- 3.173e-06 1.801e-07 -5.499 -6.745 -1.246 10.02 + H+ 2.397e-09 3.881e-08 -8.620 -7.411 1.209 0.00 H2O 5.551e+01 6.904e-01 1.744 -0.161 0.000 18.07 Br 3.621e-02 Br- 3.621e-02 4.482e-02 -1.441 -1.349 0.093 27.80 -C(4) 5.610e-03 +C(4) 5.608e-03 MgCO3 4.184e-03 4.184e-03 -2.378 -2.378 0.000 -17.09 - HCO3- 1.015e-03 8.871e-05 -2.993 -4.052 -1.059 45.80 + HCO3- 1.014e-03 8.859e-05 -2.994 -4.053 -1.059 45.80 CO3-2 4.072e-04 1.045e-07 -3.390 -6.981 -3.591 13.84 - CO2 2.883e-06 1.096e-05 -5.540 -4.960 0.580 30.26 -Ca 4.391e-03 - Ca+2 4.391e-03 3.754e-02 -2.357 -1.425 0.932 -12.68 + CO2 2.875e-06 1.093e-05 -5.541 -4.961 0.580 29.09 +Ca 4.392e-03 + Ca+2 4.392e-03 3.754e-02 -2.357 -1.425 0.932 -12.68 Cl 6.124e+00 Cl- 6.124e+00 4.431e+00 0.787 0.646 -0.141 20.62 K 3.206e-01 @@ -2689,12 +2706,12 @@ K 3.206e-01 Mg 2.266e+00 Mg+2 2.260e+00 4.724e+01 0.354 1.674 1.320 -15.97 MgCO3 4.184e-03 4.184e-03 -2.378 -2.378 0.000 -17.09 - MgOH+ 1.410e-03 1.303e-03 -2.851 -2.885 -0.034 (0) + MgOH+ 1.412e-03 1.305e-03 -2.850 -2.884 -0.034 (0) Na 2.632e+00 - Na+ 2.632e+00 8.385e+00 0.420 0.923 0.503 2.53 -S(6) 5.679e-01 - SO4-2 5.679e-01 1.468e-03 -0.246 -2.833 -2.588 30.67 - HSO4- 6.567e-09 5.434e-09 -8.183 -8.265 -0.082 42.38 + Na+ 2.632e+00 8.385e+00 0.420 0.924 0.503 2.53 +S(6) 5.678e-01 + SO4-2 5.678e-01 1.468e-03 -0.246 -2.833 -2.588 30.67 + HSO4- 6.558e-09 5.427e-09 -8.183 -8.265 -0.082 42.38 ------------------------------Saturation indices------------------------------- @@ -2705,7 +2722,7 @@ S(6) 5.679e-01 Arcanite -1.97 -3.75 -1.78 K2SO4 Bischofite -2.45 2.00 4.46 MgCl2:6H2O Bloedite -0.44 -2.79 -2.35 Na2Mg(SO4)2:4H2O - Brucite -0.94 -11.82 -10.88 Mg(OH)2 + Brucite -0.93 -11.81 -10.88 Mg(OH)2 Burkeite -6.33 -7.11 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -2.14 2.19 4.33 KMgCl3:6H2O @@ -2734,10 +2751,11 @@ S(6) 5.679e-01 Pentahydrite -0.68 -1.96 -1.28 MgSO4:5H2O Pirssonite -4.63 -13.86 -9.23 Na2Ca(CO3)2:2H2O Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.73 -14.92 -5.19 Ca(OH)2 + Portlandite -9.72 -14.91 -5.19 Ca(OH)2 Schoenite -1.54 -5.87 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.71 0.19 0.90 KCl Syngenite -0.72 -8.17 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.64 -0.99 -0.35 Na2SO4 Trona -7.54 -18.92 -11.38 Na3H(CO3)2:2H2O @@ -2768,51 +2786,51 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.03 -4.25 -4.22 0.000e+00 0 0.000e+00 Bischofite -2.38 2.07 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.689e-07 -Calcite 0.00 -8.41 -8.41 3.636e-04 3.573e-04 -6.271e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.693e-07 +Calcite 0.00 -8.41 -8.41 3.625e-04 3.562e-04 -6.271e-06 Carnallite -2.11 2.22 4.33 0.000e+00 0 0.000e+00 Epsomite -0.35 -2.23 -1.88 0.000e+00 0 0.000e+00 -Glauberite 0.00 -5.25 -5.25 1.882e-03 1.168e-03 -7.140e-04 -Gypsum 0.00 -4.58 -4.58 2.479e-03 2.468e-03 -1.114e-05 +Glauberite 0.00 -5.25 -5.25 1.881e-03 1.167e-03 -7.140e-04 +Gypsum 0.00 -4.58 -4.58 2.481e-03 2.470e-03 -1.115e-05 Halite 0.00 1.57 1.57 2.186e-01 2.244e-01 5.779e-03 Hexahydrite -0.43 -2.06 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.12 -1.24 -0.12 0.000e+00 0 0.000e+00 -Polyhalite -0.00 -13.74 -13.74 5.319e-04 9.017e-04 3.697e-04 +Polyhalite 0.00 -13.74 -13.74 5.319e-04 9.016e-04 3.697e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 3.916e-02 4.401e-04 - C 6.582e-03 7.398e-05 + C 6.580e-03 7.396e-05 Ca 4.028e-03 4.527e-05 Cl 6.108e+00 6.865e-02 - K 2.808e-01 3.157e-03 + K 2.809e-01 3.157e-03 Mg 2.417e+00 2.717e-02 Na 2.459e+00 2.763e-02 S 6.105e-01 6.861e-03 ----------------------------Description of solution---------------------------- - pH = 7.409 Charge balance + pH = 7.410 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 571695 + Specific Conductance (uS/cm, 25 oC) = 571696 Density (g/cm3) = 1.25344 Volume (L) = 0.01295 Activity of water = 0.685 Ionic strength = 1.050e+01 Mass of water (kg) = 1.124e-02 Total alkalinity (eq/kg) = 1.367e-02 - Total CO2 (mol/kg) = 6.582e-03 + Total CO2 (mol/kg) = 6.580e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.34 Iterations = 9 Gamma iterations = 3 Osmotic coefficient = 1.76136 Density of water = 0.99704 - Total H = 1.247764e+00 - Total O = 6.515522e-01 + Total H = 1.247753e+00 + Total O = 6.515462e-01 ----------------------------Distribution of species---------------------------- @@ -2820,31 +2838,31 @@ Polyhalite -0.00 -13.74 -13.74 5.319e-04 9.017e-04 3.697e-04 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 3.526e-06 1.771e-07 -5.453 -6.752 -1.299 8.66 - H+ 2.251e-09 3.896e-08 -8.648 -7.409 1.238 0.00 + OH- 3.547e-06 1.782e-07 -5.450 -6.749 -1.299 10.36 + H+ 2.248e-09 3.891e-08 -8.648 -7.410 1.238 0.00 H2O 5.551e+01 6.851e-01 1.744 -0.164 0.000 18.07 Br 3.916e-02 - Br- 3.916e-02 4.965e-02 -1.407 -1.304 0.103 27.84 -C(4) 6.582e-03 - MgCO3 4.981e-03 4.981e-03 -2.303 -2.303 0.000 -17.09 - HCO3- 1.091e-03 8.778e-05 -2.962 -4.057 -1.094 46.32 + Br- 3.916e-02 4.966e-02 -1.407 -1.304 0.103 27.84 +C(4) 6.580e-03 + MgCO3 4.980e-03 4.980e-03 -2.303 -2.303 0.000 -17.09 + HCO3- 1.089e-03 8.766e-05 -2.963 -4.057 -1.094 46.32 CO3-2 5.074e-04 1.031e-07 -3.295 -6.987 -3.692 14.15 - CO2 2.798e-06 1.096e-05 -5.553 -4.960 0.593 30.26 + CO2 2.791e-06 1.093e-05 -5.554 -4.961 0.593 29.09 Ca 4.028e-03 Ca+2 4.028e-03 3.805e-02 -2.395 -1.420 0.975 -12.58 Cl 6.108e+00 Cl- 6.108e+00 4.471e+00 0.786 0.650 -0.136 20.64 -K 2.808e-01 - K+ 2.808e-01 3.152e-01 -0.552 -0.501 0.050 14.07 +K 2.809e-01 + K+ 2.809e-01 3.153e-01 -0.552 -0.501 0.050 14.07 Mg 2.417e+00 Mg+2 2.411e+00 5.698e+01 0.382 1.756 1.374 -15.85 - MgCO3 4.981e-03 4.981e-03 -2.303 -2.303 0.000 -17.09 - MgOH+ 1.601e-03 1.555e-03 -2.796 -2.808 -0.013 (0) + MgCO3 4.980e-03 4.980e-03 -2.303 -2.303 0.000 -17.09 + MgOH+ 1.603e-03 1.557e-03 -2.795 -2.808 -0.013 (0) Na 2.459e+00 - Na+ 2.459e+00 8.310e+00 0.391 0.920 0.529 2.60 + Na+ 2.459e+00 8.311e+00 0.391 0.920 0.529 2.60 S(6) 6.105e-01 SO4-2 6.105e-01 1.471e-03 -0.214 -2.832 -2.618 30.88 - HSO4- 6.253e-09 5.462e-09 -8.204 -8.263 -0.059 42.40 + HSO4- 6.245e-09 5.454e-09 -8.204 -8.263 -0.059 42.40 ------------------------------Saturation indices------------------------------- @@ -2855,7 +2873,7 @@ S(6) 6.105e-01 Arcanite -2.06 -3.83 -1.78 K2SO4 Bischofite -2.38 2.07 4.46 MgCl2:6H2O Bloedite -0.38 -2.73 -2.35 Na2Mg(SO4)2:4H2O - Brucite -0.87 -11.75 -10.88 Mg(OH)2 + Brucite -0.86 -11.74 -10.88 Mg(OH)2 Burkeite -6.36 -7.13 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -2.11 2.22 4.33 KMgCl3:6H2O @@ -2877,17 +2895,18 @@ S(6) 6.105e-01 Leonite -1.59 -5.57 -3.98 K2Mg(SO4)2:4H2O Magnesite 2.60 -5.23 -7.83 MgCO3 Mirabilite -1.42 -2.64 -1.21 Na2SO4:10H2O - Misenite -57.49 -68.29 -10.81 K8H6(SO4)7 + Misenite -57.49 -68.30 -10.81 K8H6(SO4)7 Nahcolite -2.73 -13.48 -10.74 NaHCO3 Natron -5.96 -6.79 -0.82 Na2CO3:10H2O Nesquehonite -0.56 -5.72 -5.17 MgCO3:3H2O Pentahydrite -0.61 -1.90 -1.28 MgSO4:5H2O Pirssonite -4.65 -13.88 -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 -9.73 -14.92 -5.19 Ca(OH)2 Schoenite -1.57 -5.90 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.75 0.15 0.90 KCl Syngenite -0.80 -8.25 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.64 -0.99 -0.35 Na2SO4 Trona -7.57 -18.95 -11.38 Na3H(CO3)2:2H2O @@ -2918,23 +2937,23 @@ 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 -2.34 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 3.265e-07 -Calcite 0.00 -8.41 -8.41 3.573e-04 3.523e-04 -5.004e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.270e-07 +Calcite 0.00 -8.41 -8.41 3.562e-04 3.512e-04 -5.003e-06 Carnallite -2.09 2.24 4.33 0.000e+00 0 0.000e+00 Epsomite -0.31 -2.19 -1.88 0.000e+00 0 0.000e+00 -Glauberite -0.00 -5.25 -5.25 1.168e-03 7.331e-04 -4.345e-04 -Gypsum 0.00 -4.58 -4.58 2.468e-03 2.493e-03 2.524e-05 +Glauberite 0.00 -5.25 -5.25 1.167e-03 7.322e-04 -4.345e-04 +Gypsum 0.00 -4.58 -4.58 2.470e-03 2.495e-03 2.523e-05 Halite 0.00 1.57 1.57 2.244e-01 2.279e-01 3.459e-03 Hexahydrite -0.39 -2.02 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.06 -1.19 -0.12 0.000e+00 0 0.000e+00 -Polyhalite -0.00 -13.74 -13.74 9.017e-04 1.111e-03 2.095e-04 +Polyhalite 0.00 -13.74 -13.74 9.016e-04 1.111e-03 2.095e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 4.117e-02 4.401e-04 - C 7.357e-03 7.865e-05 + C 7.355e-03 7.863e-05 Ca 3.788e-03 4.050e-05 Cl 6.098e+00 6.519e-02 K 2.561e-01 2.738e-03 @@ -2944,25 +2963,25 @@ Polyhalite -0.00 -13.74 -13.74 9.017e-04 1.111e-03 2.095e-04 ----------------------------Description of solution---------------------------- - pH = 7.408 Charge balance + pH = 7.409 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 577971 + Specific Conductance (uS/cm, 25 oC) = 577972 Density (g/cm3) = 1.25606 Volume (L) = 0.01233 Activity of water = 0.681 Ionic strength = 1.069e+01 Mass of water (kg) = 1.069e-02 Total alkalinity (eq/kg) = 1.531e-02 - Total CO2 (mol/kg) = 7.357e-03 + Total CO2 (mol/kg) = 7.355e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.40 Iterations = 7 Gamma iterations = 3 - Osmotic coefficient = 1.79008 + Osmotic coefficient = 1.79007 Density of water = 0.99704 - Total H = 1.186825e+00 - Total O = 6.211198e-01 + Total H = 1.186814e+00 + Total O = 6.211137e-01 ----------------------------Distribution of species---------------------------- @@ -2970,16 +2989,16 @@ Polyhalite -0.00 -13.74 -13.74 9.017e-04 1.111e-03 2.095e-04 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 3.802e-06 1.758e-07 -5.420 -6.755 -1.335 8.86 - H+ 2.149e-09 3.904e-08 -8.668 -7.408 1.259 0.00 + OH- 3.825e-06 1.768e-07 -5.417 -6.752 -1.335 10.60 + H+ 2.146e-09 3.899e-08 -8.668 -7.409 1.259 0.00 H2O 5.551e+01 6.811e-01 1.744 -0.167 0.000 18.07 Br 4.117e-02 Br- 4.117e-02 5.310e-02 -1.385 -1.275 0.111 27.86 -C(4) 7.357e-03 +C(4) 7.355e-03 MgCO3 5.616e-03 5.616e-03 -2.251 -2.251 0.000 -17.09 - HCO3- 1.149e-03 8.711e-05 -2.940 -4.060 -1.120 46.70 + HCO3- 1.148e-03 8.699e-05 -2.940 -4.061 -1.120 46.70 CO3-2 5.890e-04 1.022e-07 -3.230 -6.991 -3.761 14.37 - CO2 2.738e-06 1.096e-05 -5.563 -4.960 0.602 30.26 + CO2 2.730e-06 1.093e-05 -5.564 -4.961 0.602 29.09 Ca 3.788e-03 Ca+2 3.788e-03 3.841e-02 -2.422 -1.416 1.006 -12.50 Cl 6.098e+00 @@ -2989,12 +3008,12 @@ K 2.561e-01 Mg 2.522e+00 Mg+2 2.514e+00 6.487e+01 0.400 1.812 1.412 -15.77 MgCO3 5.616e-03 5.616e-03 -2.251 -2.251 0.000 -17.09 - MgOH+ 1.746e-03 1.757e-03 -2.758 -2.755 0.003 (0) + MgOH+ 1.748e-03 1.759e-03 -2.757 -2.755 0.003 (0) Na 2.343e+00 Na+ 2.343e+00 8.255e+00 0.370 0.917 0.547 2.64 S(6) 6.423e-01 SO4-2 6.423e-01 1.474e-03 -0.192 -2.831 -2.639 31.03 - HSO4- 6.056e-09 5.483e-09 -8.218 -8.261 -0.043 42.41 + HSO4- 6.047e-09 5.475e-09 -8.218 -8.262 -0.043 42.41 ------------------------------Saturation indices------------------------------- @@ -3005,7 +3024,7 @@ S(6) 6.423e-01 Arcanite -2.12 -3.90 -1.78 K2SO4 Bischofite -2.34 2.12 4.46 MgCl2:6H2O Bloedite -0.34 -2.68 -2.35 Na2Mg(SO4)2:4H2O - Brucite -0.82 -11.70 -10.88 Mg(OH)2 + Brucite -0.81 -11.69 -10.88 Mg(OH)2 Burkeite -6.38 -7.15 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -2.09 2.24 4.33 KMgCl3:6H2O @@ -3014,7 +3033,7 @@ S(6) 6.423e-01 Epsomite -0.31 -2.19 -1.88 MgSO4:7H2O Gaylussite -4.98 -14.40 -9.42 CaNa2(CO3)2:5H2O Glaserite -2.54 -6.34 -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) -1.67 -0.17 1.50 H2O Halite 0.00 1.57 1.57 NaCl @@ -3027,17 +3046,18 @@ S(6) 6.423e-01 Leonite -1.60 -5.58 -3.98 K2Mg(SO4)2:4H2O Magnesite 2.66 -5.18 -7.83 MgCO3 Mirabilite -1.45 -2.67 -1.21 Na2SO4:10H2O - Misenite -57.73 -68.53 -10.81 K8H6(SO4)7 + Misenite -57.73 -68.54 -10.81 K8H6(SO4)7 Nahcolite -2.74 -13.48 -10.74 NaHCO3 Natron -6.00 -6.82 -0.82 Na2CO3:10H2O Nesquehonite -0.51 -5.68 -5.17 MgCO3:3H2O Pentahydrite -0.57 -1.85 -1.28 MgSO4:5H2O Pirssonite -4.66 -13.90 -9.23 Na2Ca(CO3)2:2H2O - Polyhalite -0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.74 -14.93 -5.19 Ca(OH)2 + Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O + Portlandite -9.73 -14.92 -5.19 Ca(OH)2 Schoenite -1.59 -5.92 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.78 0.12 0.90 KCl Syngenite -0.86 -8.31 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.65 -1.00 -0.35 Na2SO4 Trona -7.59 -18.97 -11.38 Na3H(CO3)2:2H2O @@ -3068,12 +3088,12 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.02 -4.24 -4.22 0.000e+00 0 0.000e+00 Bischofite -2.28 2.17 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.712e-07 -Calcite 0.00 -8.41 -8.41 3.523e-04 3.460e-04 -6.314e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 3.718e-07 +Calcite 0.00 -8.41 -8.41 3.512e-04 3.449e-04 -6.314e-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 -5.25 -5.25 7.331e-04 2.896e-04 -4.435e-04 -Gypsum 0.00 -4.58 -4.58 2.493e-03 2.549e-03 5.643e-05 +Glauberite -0.00 -5.25 -5.25 7.322e-04 2.887e-04 -4.435e-04 +Gypsum 0.00 -4.58 -4.58 2.495e-03 2.551e-03 5.642e-05 Halite 0.00 1.57 1.57 2.279e-01 2.313e-01 3.455e-03 Hexahydrite -0.34 -1.97 -1.63 0.000e+00 0 0.000e+00 Kieserite -1.00 -1.12 -0.12 0.000e+00 0 0.000e+00 @@ -3084,35 +3104,35 @@ Polyhalite 0.00 -13.74 -13.74 1.111e-03 1.310e-03 1.990e-04 Elements Molality Moles Br 4.340e-02 4.401e-04 - C 8.342e-03 8.460e-05 - Ca 3.531e-03 3.580e-05 - Cl 6.088e+00 6.174e-02 - K 2.307e-01 2.339e-03 + C 8.340e-03 8.457e-05 + Ca 3.531e-03 3.581e-05 + Cl 6.088e+00 6.173e-02 + K 2.307e-01 2.340e-03 Mg 2.639e+00 2.676e-02 Na 2.216e+00 2.248e-02 - S 6.806e-01 6.902e-03 + S 6.805e-01 6.901e-03 ----------------------------Description of solution---------------------------- pH = 7.408 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 585693 + Specific Conductance (uS/cm, 25 oC) = 585694 Density (g/cm3) = 1.25922 Volume (L) = 0.01170 Activity of water = 0.676 Ionic strength = 1.092e+01 Mass of water (kg) = 1.014e-02 Total alkalinity (eq/kg) = 1.738e-02 - Total CO2 (mol/kg) = 8.342e-03 + Total CO2 (mol/kg) = 8.340e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.46 Iterations = 8 Gamma iterations = 3 - Osmotic coefficient = 1.82263 + Osmotic coefficient = 1.82262 Density of water = 0.99704 - Total H = 1.125803e+00 - Total O = 5.907647e-01 + Total H = 1.125792e+00 + Total O = 5.907587e-01 ----------------------------Distribution of species---------------------------- @@ -3120,31 +3140,31 @@ Polyhalite 0.00 -13.74 -13.74 1.111e-03 1.310e-03 1.990e-04 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 4.132e-06 1.742e-07 -5.384 -6.759 -1.375 9.10 - H+ 2.037e-09 3.913e-08 -8.691 -7.408 1.284 0.00 + OH- 4.156e-06 1.752e-07 -5.381 -6.756 -1.375 10.88 + H+ 2.034e-09 3.907e-08 -8.692 -7.408 1.284 0.00 H2O 5.551e+01 6.765e-01 1.744 -0.170 0.000 18.07 Br 4.340e-02 Br- 4.340e-02 5.706e-02 -1.363 -1.244 0.119 27.90 -C(4) 8.342e-03 +C(4) 8.340e-03 MgCO3 6.424e-03 6.424e-03 -2.192 -2.192 0.000 -17.09 - HCO3- 1.222e-03 8.633e-05 -2.913 -4.064 -1.151 47.13 + HCO3- 1.220e-03 8.621e-05 -2.914 -4.064 -1.151 47.13 CO3-2 6.939e-04 1.010e-07 -3.159 -6.996 -3.837 14.63 - CO2 2.668e-06 1.096e-05 -5.574 -4.960 0.614 30.26 + CO2 2.661e-06 1.093e-05 -5.575 -4.961 0.614 29.09 Ca 3.531e-03 Ca+2 3.531e-03 3.885e-02 -2.452 -1.411 1.041 -12.42 Cl 6.088e+00 Cl- 6.088e+00 4.537e+00 0.784 0.657 -0.128 20.69 K 2.307e-01 - K+ 2.307e-01 2.701e-01 -0.637 -0.569 0.068 14.25 + K+ 2.307e-01 2.701e-01 -0.637 -0.568 0.068 14.25 Mg 2.639e+00 - Mg+2 2.630e+00 7.504e+01 0.420 1.875 1.455 -15.67 + Mg+2 2.630e+00 7.503e+01 0.420 1.875 1.455 -15.67 MgCO3 6.424e-03 6.424e-03 -2.192 -2.192 0.000 -17.09 - MgOH+ 1.923e-03 2.014e-03 -2.716 -2.696 0.020 (0) + MgOH+ 1.926e-03 2.017e-03 -2.715 -2.695 0.020 (0) Na 2.216e+00 Na+ 2.216e+00 8.188e+00 0.346 0.913 0.568 2.70 -S(6) 6.806e-01 - SO4-2 6.806e-01 1.478e-03 -0.167 -2.830 -2.663 31.21 - HSO4- 5.851e-09 5.509e-09 -8.233 -8.259 -0.026 42.42 +S(6) 6.805e-01 + SO4-2 6.805e-01 1.478e-03 -0.167 -2.830 -2.663 31.21 + HSO4- 5.843e-09 5.501e-09 -8.233 -8.260 -0.026 42.42 ------------------------------Saturation indices------------------------------- @@ -3184,11 +3204,12 @@ S(6) 6.806e-01 Pentahydrite -0.52 -1.80 -1.28 MgSO4:5H2O Pirssonite -4.68 -13.91 -9.23 Na2Ca(CO3)2:2H2O Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.74 -14.93 -5.19 Ca(OH)2 + Portlandite -9.73 -14.92 -5.19 Ca(OH)2 Schoenite -1.61 -5.94 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.81 0.09 0.90 KCl Syngenite -0.93 -8.38 -7.45 K2Ca(SO4)2:H2O - Trona -7.61 -19.00 -11.38 Na3H(CO3)2:2H2O + Thenardite -0.65 -1.00 -0.35 Na2SO4 + Trona -7.62 -19.00 -11.38 Na3H(CO3)2:2H2O Reaction step 21. @@ -3218,51 +3239,51 @@ Phase SI log IAP log K(T, P) Initial Final Delta Anhydrite -0.01 -4.23 -4.22 0.000e+00 0 0.000e+00 Bischofite -2.22 2.23 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.575e-07 -Calcite 0.00 -8.41 -8.41 3.460e-04 3.391e-04 -6.885e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 4.582e-07 +Calcite -0.00 -8.41 -8.41 3.449e-04 3.380e-04 -6.878e-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 -5.26 -5.25 2.896e-04 0 -2.896e-04 -Gypsum 0.00 -4.58 -4.58 2.549e-03 2.505e-03 -4.397e-05 -Halite 0.00 1.57 1.57 2.313e-01 2.345e-01 3.211e-03 +Glauberite -0.01 -5.26 -5.25 2.887e-04 0 -2.887e-04 +Gypsum 0.00 -4.58 -4.58 2.551e-03 2.507e-03 -4.474e-05 +Halite 0.00 1.57 1.57 2.313e-01 2.345e-01 3.210e-03 Hexahydrite -0.29 -1.93 -1.63 0.000e+00 0 0.000e+00 Kieserite -0.94 -1.06 -0.12 0.000e+00 0 0.000e+00 -Polyhalite 0.00 -13.74 -13.74 1.310e-03 1.483e-03 1.723e-04 +Polyhalite 0.00 -13.74 -13.74 1.310e-03 1.482e-03 1.722e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 4.587e-02 4.401e-04 - C 9.486e-03 9.102e-05 - Ca 3.296e-03 3.162e-05 + C 9.483e-03 9.099e-05 + Ca 3.296e-03 3.163e-05 Cl 6.099e+00 5.853e-02 K 2.079e-01 1.995e-03 Mg 2.771e+00 2.659e-02 Na 2.068e+00 1.984e-02 - S 7.123e-01 6.835e-03 + S 7.122e-01 6.834e-03 ----------------------------Description of solution---------------------------- - pH = 7.401 Charge balance + pH = 7.402 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 595226 + Specific Conductance (uS/cm, 25 oC) = 595227 Density (g/cm3) = 1.26243 Volume (L) = 0.01108 Activity of water = 0.671 Ionic strength = 1.117e+01 Mass of water (kg) = 9.596e-03 Total alkalinity (eq/kg) = 1.981e-02 - Total CO2 (mol/kg) = 9.486e-03 + Total CO2 (mol/kg) = 9.483e-03 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.52 + Electrical balance (eq) = 2.253e-03 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.53 Iterations = 8 Gamma iterations = 3 Osmotic coefficient = 1.86189 Density of water = 0.99704 - Total H = 1.065289e+00 - Total O = 5.602634e-01 + Total H = 1.065282e+00 + Total O = 5.602560e-01 ----------------------------Distribution of species---------------------------- @@ -3270,31 +3291,31 @@ Polyhalite 0.00 -13.74 -13.74 1.310e-03 1.483e-03 1.723e-04 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 4.488e-06 1.703e-07 -5.348 -6.769 -1.421 9.36 - H+ 1.927e-09 3.968e-08 -8.715 -7.401 1.314 0.00 + OH- 4.515e-06 1.713e-07 -5.345 -6.766 -1.421 11.19 + H+ 1.925e-09 3.963e-08 -8.716 -7.402 1.314 0.00 H2O 5.551e+01 6.707e-01 1.744 -0.173 0.000 18.07 Br 4.587e-02 Br- 4.587e-02 6.158e-02 -1.339 -1.211 0.128 27.93 -C(4) 9.486e-03 - MgCO3 7.371e-03 7.371e-03 -2.132 -2.132 0.000 -17.09 - HCO3- 1.295e-03 8.439e-05 -2.888 -4.074 -1.186 47.60 - CO3-2 8.171e-04 9.739e-08 -3.088 -7.011 -3.924 14.90 - CO2 2.597e-06 1.096e-05 -5.585 -4.960 0.625 30.26 +C(4) 9.483e-03 + MgCO3 7.370e-03 7.370e-03 -2.133 -2.133 0.000 -17.09 + HCO3- 1.293e-03 8.427e-05 -2.888 -4.074 -1.186 47.60 + CO3-2 8.171e-04 9.738e-08 -3.088 -7.012 -3.924 14.90 + CO2 2.590e-06 1.093e-05 -5.587 -4.961 0.625 29.09 Ca 3.296e-03 - Ca+2 3.296e-03 4.029e-02 -2.482 -1.395 1.087 -12.33 + Ca+2 3.296e-03 4.030e-02 -2.482 -1.395 1.087 -12.33 Cl 6.099e+00 Cl- 6.099e+00 4.594e+00 0.785 0.662 -0.123 20.71 K 2.079e-01 - K+ 2.079e-01 2.502e-01 -0.682 -0.602 0.081 14.36 + K+ 2.079e-01 2.503e-01 -0.682 -0.602 0.081 14.36 Mg 2.771e+00 Mg+2 2.761e+00 8.931e+01 0.441 1.951 1.510 -15.57 - MgCO3 7.371e-03 7.371e-03 -2.132 -2.132 0.000 -17.09 - MgOH+ 2.131e-03 2.344e-03 -2.671 -2.630 0.041 (0) + MgCO3 7.370e-03 7.370e-03 -2.133 -2.133 0.000 -17.09 + MgOH+ 2.134e-03 2.347e-03 -2.671 -2.630 0.041 (0) Na 2.068e+00 Na+ 2.068e+00 8.088e+00 0.316 0.908 0.592 2.76 -S(6) 7.123e-01 - SO4-2 7.123e-01 1.450e-03 -0.147 -2.839 -2.691 31.40 - HSO4- 5.567e-09 5.479e-09 -8.254 -8.261 -0.007 42.44 +S(6) 7.122e-01 + SO4-2 7.122e-01 1.449e-03 -0.147 -2.839 -2.691 31.40 + HSO4- 5.559e-09 5.471e-09 -8.255 -8.262 -0.007 42.44 ------------------------------Saturation indices------------------------------- @@ -3305,9 +3326,9 @@ S(6) 7.123e-01 Arcanite -2.27 -4.04 -1.78 K2SO4 Bischofite -2.22 2.23 4.46 MgCl2:6H2O Bloedite -0.26 -2.60 -2.35 Na2Mg(SO4)2:4H2O - Brucite -0.71 -11.59 -10.88 Mg(OH)2 + Brucite -0.70 -11.58 -10.88 Mg(OH)2 Burkeite -6.47 -7.24 -0.77 Na6CO3(SO4)2 - Calcite 0.00 -8.41 -8.41 CaCO3 + Calcite -0.00 -8.41 -8.41 CaCO3 Carnallite -2.04 2.29 4.33 KMgCl3:6H2O CO2(g) -3.50 -4.96 -1.46 CO2 Pressure 0.0 atm, phi 1.000. Dolomite 3.62 -13.47 -17.08 CaMg(CO3)2 @@ -3320,24 +3341,25 @@ S(6) 7.123e-01 Halite 0.00 1.57 1.57 NaCl Hexahydrite -0.29 -1.93 -1.63 MgSO4:6H2O Kainite -1.15 -1.35 -0.19 KMgClSO4:3H2O - Kalicinite -4.96 -15.01 -10.06 KHCO3 + Kalicinite -4.96 -15.02 -10.06 KHCO3 Kieserite -0.94 -1.06 -0.12 MgSO4:H2O Labile_S -0.95 -6.63 -5.67 Na4Ca(SO4)3:2H2O Leonhardite -0.69 -1.58 -0.89 MgSO4:4H2O Leonite -1.64 -5.62 -3.98 K2Mg(SO4)2:4H2O Magnesite 2.77 -5.06 -7.83 MgCO3 Mirabilite -1.54 -2.76 -1.21 Na2SO4:10H2O - Misenite -58.29 -69.09 -10.81 K8H6(SO4)7 + Misenite -58.29 -69.10 -10.81 K8H6(SO4)7 Nahcolite -2.76 -13.51 -10.74 NaHCO3 Natron -6.11 -6.93 -0.82 Na2CO3:10H2O Nesquehonite -0.41 -5.58 -5.17 MgCO3:3H2O Pentahydrite -0.47 -1.76 -1.28 MgSO4:5H2O - Pirssonite -4.71 -13.95 -9.23 Na2Ca(CO3)2:2H2O + Pirssonite -4.72 -13.95 -9.23 Na2Ca(CO3)2:2H2O 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 Syngenite -1.00 -8.45 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.67 -1.02 -0.35 Na2SO4 Trona -7.66 -19.05 -11.38 Na3H(CO3)2:2H2O @@ -3372,53 +3394,53 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Anhydrite 0.00 -4.22 -4.22 0.000e+00 1.713e-03 1.713e-03 +Anhydrite 0.00 -4.22 -4.22 0.000e+00 1.710e-03 1.710e-03 Bischofite -2.15 2.31 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 5.226e-07 -Calcite 0.00 -8.41 -8.41 3.391e-04 3.334e-04 -5.702e-06 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 5.231e-07 +Calcite 0.00 -8.41 -8.41 3.380e-04 3.323e-04 -5.702e-06 Carnallite -1.98 2.35 4.33 0.000e+00 0 0.000e+00 Epsomite -0.19 -2.07 -1.88 0.000e+00 0 0.000e+00 Glauberite -0.04 -5.29 -5.25 0.000e+00 0 0.000e+00 -Gypsum 0.00 -4.58 -4.58 2.505e-03 5.543e-04 -1.951e-03 +Gypsum 0.00 -4.58 -4.58 2.507e-03 5.579e-04 -1.949e-03 Halite 0.00 1.57 1.57 2.345e-01 2.370e-01 2.431e-03 Hexahydrite -0.26 -1.90 -1.63 0.000e+00 0 0.000e+00 Kieserite -0.88 -1.01 -0.12 0.000e+00 0 0.000e+00 -Polyhalite 0.00 -13.74 -13.74 1.483e-03 1.606e-03 1.235e-04 +Polyhalite 0.00 -13.74 -13.74 1.482e-03 1.606e-03 1.236e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles Br 4.825e-02 4.401e-04 - C 1.055e-02 9.620e-05 - Ca 3.133e-03 2.857e-05 + C 1.054e-02 9.617e-05 + Ca 3.133e-03 2.858e-05 Cl 6.150e+00 5.609e-02 K 1.916e-01 1.748e-03 Mg 2.901e+00 2.646e-02 Na 1.909e+00 1.741e-02 - S 7.214e-01 6.580e-03 + S 7.213e-01 6.579e-03 ----------------------------Description of solution---------------------------- - pH = 7.387 Charge balance + pH = 7.388 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 605485 + Specific Conductance (uS/cm, 25 oC) = 605488 Density (g/cm3) = 1.26481 Volume (L) = 0.01053 Activity of water = 0.664 Ionic strength = 1.138e+01 Mass of water (kg) = 9.121e-03 Total alkalinity (eq/kg) = 2.209e-02 - Total CO2 (mol/kg) = 1.055e-02 + Total CO2 (mol/kg) = 1.054e-02 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.59 Iterations = 12 Gamma iterations = 12 - Osmotic coefficient = 1.90536 + Osmotic coefficient = 1.90537 Density of water = 0.99704 - Total H = 1.012599e+00 - Total O = 5.329111e-01 + Total H = 1.012583e+00 + Total O = 5.328990e-01 ----------------------------Distribution of species---------------------------- @@ -3426,31 +3448,31 @@ Polyhalite 0.00 -13.74 -13.74 1.483e-03 1.606e-03 1.235e-04 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 4.792e-06 1.631e-07 -5.319 -6.787 -1.468 9.59 - H+ 1.844e-09 4.101e-08 -8.734 -7.387 1.347 0.00 + OH- 4.820e-06 1.641e-07 -5.317 -6.785 -1.468 11.45 + H+ 1.841e-09 4.096e-08 -8.735 -7.388 1.347 0.00 H2O 5.551e+01 6.640e-01 1.744 -0.178 0.000 18.07 Br 4.825e-02 Br- 4.825e-02 6.605e-02 -1.316 -1.180 0.136 27.96 -C(4) 1.055e-02 - MgCO3 8.269e-03 8.269e-03 -2.083 -2.083 0.000 -17.09 - HCO3- 1.345e-03 8.084e-05 -2.871 -4.092 -1.221 48.01 - CO3-2 9.309e-04 9.026e-08 -3.031 -7.044 -4.013 15.14 - CO2 2.543e-06 1.096e-05 -5.595 -4.960 0.635 30.26 +C(4) 1.054e-02 + MgCO3 8.268e-03 8.268e-03 -2.083 -2.083 0.000 -17.09 + HCO3- 1.343e-03 8.073e-05 -2.872 -4.093 -1.221 48.01 + CO3-2 9.308e-04 9.025e-08 -3.031 -7.045 -4.013 15.14 + CO2 2.536e-06 1.093e-05 -5.596 -4.961 0.635 29.09 Ca 3.133e-03 - Ca+2 3.133e-03 4.348e-02 -2.504 -1.362 1.142 -12.25 + Ca+2 3.133e-03 4.349e-02 -2.504 -1.362 1.142 -12.25 Cl 6.150e+00 Cl- 6.150e+00 4.675e+00 0.789 0.670 -0.119 20.73 K 1.916e-01 K+ 1.916e-01 2.382e-01 -0.718 -0.623 0.095 14.45 Mg 2.901e+00 Mg+2 2.891e+00 1.081e+02 0.461 2.034 1.573 -15.48 - MgCO3 8.269e-03 8.269e-03 -2.083 -2.083 0.000 -17.09 - MgOH+ 2.339e-03 2.718e-03 -2.631 -2.566 0.065 (0) + MgCO3 8.268e-03 8.268e-03 -2.083 -2.083 0.000 -17.09 + MgOH+ 2.342e-03 2.721e-03 -2.630 -2.565 0.065 (0) Na 1.909e+00 Na+ 1.909e+00 7.948e+00 0.281 0.900 0.619 2.81 -S(6) 7.214e-01 - SO4-2 7.214e-01 1.370e-03 -0.142 -2.863 -2.721 31.56 - HSO4- 5.196e-09 5.354e-09 -8.284 -8.271 0.013 42.45 +S(6) 7.213e-01 + SO4-2 7.213e-01 1.370e-03 -0.142 -2.863 -2.721 31.56 + HSO4- 5.189e-09 5.346e-09 -8.285 -8.272 0.013 42.45 ------------------------------Saturation indices------------------------------- @@ -3476,24 +3498,25 @@ S(6) 7.214e-01 Halite 0.00 1.57 1.57 NaCl Hexahydrite -0.26 -1.90 -1.63 MgSO4:6H2O Kainite -1.12 -1.32 -0.19 KMgClSO4:3H2O - Kalicinite -5.00 -15.05 -10.06 KHCO3 + Kalicinite -5.00 -15.06 -10.06 KHCO3 Kieserite -0.88 -1.01 -0.12 MgSO4:H2O Labile_S -1.03 -6.71 -5.67 Na4Ca(SO4)3:2H2O Leonhardite -0.65 -1.54 -0.89 MgSO4:4H2O Leonite -1.67 -5.65 -3.98 K2Mg(SO4)2:4H2O Magnesite 2.82 -5.01 -7.83 MgCO3 Mirabilite -1.63 -2.84 -1.21 Na2SO4:10H2O - Misenite -58.54 -69.35 -10.81 K8H6(SO4)7 + Misenite -58.55 -69.35 -10.81 K8H6(SO4)7 Nahcolite -2.79 -13.53 -10.74 NaHCO3 Natron -6.20 -7.02 -0.82 Na2CO3:10H2O Nesquehonite -0.38 -5.54 -5.17 MgCO3:3H2O Pentahydrite -0.43 -1.72 -1.28 MgSO4:5H2O Pirssonite -4.77 -14.01 -9.23 Na2Ca(CO3)2:2H2O Polyhalite 0.00 -13.74 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -9.75 -14.94 -5.19 Ca(OH)2 + Portlandite -9.74 -14.93 -5.19 Ca(OH)2 Schoenite -1.68 -6.01 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.85 0.05 0.90 KCl Syngenite -1.06 -8.51 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.71 -1.06 -0.35 Na2SO4 Trona -7.75 -19.13 -11.38 Na3H(CO3)2:2H2O @@ -3522,15 +3545,15 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Anhydrite 0.00 -4.22 -4.22 1.713e-03 2.052e-03 3.394e-04 +Anhydrite 0.00 -4.22 -4.22 1.710e-03 2.054e-03 3.431e-04 Bischofite -2.06 2.40 4.46 0.000e+00 0 0.000e+00 -CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 7.772e-07 -Calcite 0.00 -8.41 -8.41 3.334e-04 3.219e-04 -1.151e-05 +CO2(g) -3.50 -4.96 -1.46 1.000e+01 1.000e+01 7.781e-07 +Calcite 0.00 -8.41 -8.41 3.323e-04 3.208e-04 -1.151e-05 Carnallite -1.89 2.44 4.33 0.000e+00 0 0.000e+00 Epsomite -0.16 -2.04 -1.88 0.000e+00 0 0.000e+00 Glauberite -0.09 -5.34 -5.25 0.000e+00 0 0.000e+00 -Gypsum -0.01 -4.59 -4.58 5.543e-04 0 -5.543e-04 -Halite 0.00 1.57 1.57 2.370e-01 2.396e-01 2.619e-03 +Gypsum -0.01 -4.59 -4.58 5.579e-04 0 -5.579e-04 +Halite 0.00 1.57 1.57 2.370e-01 2.396e-01 2.618e-03 Hexahydrite -0.22 -1.85 -1.63 0.000e+00 0 0.000e+00 Kieserite -0.81 -0.94 -0.12 0.000e+00 0 0.000e+00 Polyhalite 0.00 -13.74 -13.74 1.606e-03 1.721e-03 1.152e-04 @@ -3541,34 +3564,34 @@ Polyhalite 0.00 -13.74 -13.74 1.606e-03 1.721e-03 1.152e-04 Br 5.120e-02 4.401e-04 C 1.244e-02 1.069e-04 - Ca 2.841e-03 2.442e-05 + Ca 2.842e-03 2.443e-05 Cl 6.221e+00 5.348e-02 K 1.765e-01 1.517e-03 Mg 3.065e+00 2.635e-02 Na 1.721e+00 1.479e-02 - S 7.367e-01 6.333e-03 + S 7.366e-01 6.332e-03 ----------------------------Description of solution---------------------------- pH = 7.376 Charge balance pe = 4.000 Adjusted to redox equilibrium - Specific Conductance (uS/cm, 25 oC) = 620182 - Density (g/cm3) = 1.26828 + Specific Conductance (uS/cm, 25 oC) = 620181 + Density (g/cm3) = 1.26827 Volume (L) = 0.00993 Activity of water = 0.655 Ionic strength = 1.167e+01 - Mass of water (kg) = 8.597e-03 + Mass of water (kg) = 8.596e-03 Total alkalinity (eq/kg) = 2.611e-02 Total CO2 (mol/kg) = 1.244e-02 Temperature (deg C) = 25.00 - Electrical balance (eq) = 2.250e-03 + Electrical balance (eq) = 2.253e-03 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 1.66 - Iterations = 8 - Gamma iterations = 3 + Iterations = 10 + Gamma iterations = 4 Osmotic coefficient = 1.96085 Density of water = 0.99704 - Total H = 9.543554e-01 - Total O = 5.028376e-01 + Total H = 9.543537e-01 + Total O = 5.028328e-01 ----------------------------Distribution of species---------------------------- @@ -3576,31 +3599,31 @@ Polyhalite 0.00 -13.74 -13.74 1.606e-03 1.721e-03 1.152e-04 MacInnes Log Log Log mole V Species Molality Activity Molality Activity Gamma cm3/mol - OH- 5.262e-06 1.567e-07 -5.279 -6.805 -1.526 9.89 - H+ 1.708e-09 4.211e-08 -8.767 -7.376 1.392 0.00 + OH- 5.293e-06 1.576e-07 -5.276 -6.802 -1.526 11.81 + H+ 1.706e-09 4.206e-08 -8.768 -7.376 1.392 0.00 H2O 5.551e+01 6.550e-01 1.744 -0.184 0.000 18.07 Br 5.120e-02 Br- 5.120e-02 7.185e-02 -1.291 -1.144 0.147 28.00 C(4) 1.244e-02 - MgCO3 9.875e-03 9.875e-03 -2.005 -2.005 0.000 -17.09 - HCO3- 1.440e-03 7.767e-05 -2.842 -4.110 -1.268 48.57 - CO3-2 1.123e-03 8.445e-08 -2.950 -7.073 -4.124 15.46 - CO2 2.469e-06 1.096e-05 -5.608 -4.960 0.647 30.26 -Ca 2.841e-03 - Ca+2 2.841e-03 4.647e-02 -2.547 -1.333 1.214 -12.14 + MgCO3 9.873e-03 9.873e-03 -2.006 -2.006 0.000 -17.09 + HCO3- 1.438e-03 7.755e-05 -2.842 -4.110 -1.268 48.57 + CO3-2 1.122e-03 8.444e-08 -2.950 -7.073 -4.124 15.46 + CO2 2.462e-06 1.093e-05 -5.609 -4.961 0.647 29.09 +Ca 2.842e-03 + Ca+2 2.842e-03 4.648e-02 -2.546 -1.333 1.214 -12.14 Cl 6.221e+00 - Cl- 6.221e+00 4.787e+00 0.794 0.680 -0.114 20.76 + Cl- 6.221e+00 4.786e+00 0.794 0.680 -0.114 20.76 K 1.765e-01 - K+ 1.765e-01 2.284e-01 -0.753 -0.641 0.112 14.57 + K+ 1.765e-01 2.285e-01 -0.753 -0.641 0.112 14.57 Mg 3.065e+00 Mg+2 3.053e+00 1.380e+02 0.485 2.140 1.655 -15.35 - MgCO3 9.875e-03 9.875e-03 -2.005 -2.005 0.000 -17.09 - MgOH+ 2.675e-03 3.332e-03 -2.573 -2.477 0.095 (0) + MgCO3 9.873e-03 9.873e-03 -2.006 -2.006 0.000 -17.09 + MgOH+ 2.678e-03 3.336e-03 -2.572 -2.477 0.095 (0) Na 1.721e+00 Na+ 1.721e+00 7.762e+00 0.236 0.890 0.654 2.88 -S(6) 7.367e-01 - SO4-2 7.367e-01 1.282e-03 -0.133 -2.892 -2.759 31.77 - HSO4- 4.725e-09 5.143e-09 -8.326 -8.289 0.037 42.47 +S(6) 7.366e-01 + SO4-2 7.366e-01 1.282e-03 -0.133 -2.892 -2.759 31.77 + HSO4- 4.718e-09 5.136e-09 -8.326 -8.289 0.037 42.47 ------------------------------Saturation indices------------------------------- @@ -3611,7 +3634,7 @@ S(6) 7.367e-01 Arcanite -2.40 -4.17 -1.78 K2SO4 Bischofite -2.06 2.40 4.46 MgCl2:6H2O Bloedite -0.25 -2.60 -2.35 Na2Mg(SO4)2:4H2O - Brucite -0.59 -11.47 -10.88 Mg(OH)2 + Brucite -0.58 -11.46 -10.88 Mg(OH)2 Burkeite -6.75 -7.52 -0.77 Na6CO3(SO4)2 Calcite 0.00 -8.41 -8.41 CaCO3 Carnallite -1.89 2.44 4.33 KMgCl3:6H2O @@ -3633,7 +3656,7 @@ S(6) 7.367e-01 Leonite -1.68 -5.66 -3.98 K2Mg(SO4)2:4H2O Magnesite 2.90 -4.93 -7.83 MgCO3 Mirabilite -1.74 -2.95 -1.21 Na2SO4:10H2O - Misenite -58.82 -69.63 -10.81 K8H6(SO4)7 + Misenite -58.83 -69.63 -10.81 K8H6(SO4)7 Nahcolite -2.82 -13.56 -10.74 NaHCO3 Natron -6.31 -7.13 -0.82 Na2CO3:10H2O Nesquehonite -0.32 -5.48 -5.17 MgCO3:3H2O @@ -3644,6 +3667,7 @@ S(6) 7.367e-01 Schoenite -1.70 -6.03 -4.33 K2Mg(SO4)2:6H2O Sylvite -0.86 0.04 0.90 KCl Syngenite -1.14 -8.58 -7.45 K2Ca(SO4)2:H2O + Thenardite -0.76 -1.11 -0.35 Na2SO4 Trona -7.84 -19.22 -11.38 Na3H(CO3)2:2H2O @@ -3656,6 +3680,6 @@ Reading input data for simulation 2. ------------------------------------ ------------------------------ -End of Run after 0.52 Seconds. +End of Run after 0.54 Seconds. ------------------------------ diff --git a/ex20b.out b/ex20b.out index dbf3ad64..edd3ffb2 100644 --- a/ex20b.out +++ b/ex20b.out @@ -170,7 +170,7 @@ Beginning of initial solution calculations. Initial solution 1. -WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH. +WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. ----------------------------------User print----------------------------------- @@ -53227,6 +53227,6 @@ Reading input data for simulation 114. -------------------------------------- ------------------------------ -End of Run after 1.35 Seconds. +End of Run after 1.36 Seconds. ------------------------------ diff --git a/ex21.out b/ex21.out index 199d7ca7..37938a42 100644 --- a/ex21.out +++ b/ex21.out @@ -413,7 +413,7 @@ Beginning of initial solution calculations. Initial solution 3. tracer solution -WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH. +WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. -----------------------------Solution composition------------------------------ @@ -957,6 +957,6 @@ WARNING: No dispersivities were read; disp = 0 assumed. END END ------------------------------- -End of Run after 23.44 Seconds. +End of Run after 23.34 Seconds. ------------------------------- diff --git a/ex7.out b/ex7.out index 6a7d1f2b..d5902fec 100644 --- a/ex7.out +++ b/ex7.out @@ -1330,7 +1330,7 @@ N2(g) -1.51 3.083e-02 1.001 0.000e+00 6.860e-03 6.860e-03 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 20 + Iterations = 21 Total H = 1.110335e+02 Total O = 5.556092e+01 @@ -1446,7 +1446,7 @@ N2(g) -1.48 3.349e-02 1.001 0.000e+00 1.554e-02 1.554e-02 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 + Iterations = 23 Total H = 1.110446e+02 Total O = 5.556770e+01 @@ -1562,7 +1562,7 @@ N2(g) -1.46 3.481e-02 1.001 0.000e+00 3.300e-02 3.300e-02 Pressure (atm) = 1.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 24 Total H = 1.110665e+02 Total O = 5.557929e+01 @@ -1675,7 +1675,7 @@ 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 WARNING: While initializing gas phase composition by equilibrating: - Found definitions of gas' critical temperature and pressure. + Found definitions of gas` critical temperature and pressure. Going to use Peng-Robinson in subsequent calculations. ----------------------------------------- @@ -1860,7 +1860,7 @@ N2(g) -4.15 7.081e-05 1.000 0.000e+00 6.716e-05 6.716e-05 Pressure (atm) = 0.07 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 + Iterations = 24 Total H = 1.110126e+02 Total O = 5.552112e+01 @@ -1976,7 +1976,7 @@ N2(g) -3.97 1.064e-04 1.000 0.000e+00 1.009e-04 1.009e-04 Pressure (atm) = 0.07 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 28 + Iterations = 24 Total H = 1.110127e+02 Total O = 5.552120e+01 @@ -2092,7 +2092,7 @@ N2(g) -3.85 1.420e-04 1.000 0.000e+00 1.347e-04 1.347e-04 Pressure (atm) = 0.07 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 26 + Iterations = 24 Total H = 1.110128e+02 Total O = 5.552129e+01 @@ -2208,7 +2208,7 @@ N2(g) -3.55 2.846e-04 1.000 0.000e+00 2.699e-04 2.699e-04 Pressure (atm) = 0.07 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 + Iterations = 23 Total H = 1.110132e+02 Total O = 5.552165e+01 @@ -2324,7 +2324,7 @@ N2(g) -3.24 5.697e-04 1.000 0.000e+00 5.403e-04 5.403e-04 Pressure (atm) = 0.08 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 28 + Iterations = 24 Total H = 1.110141e+02 Total O = 5.552236e+01 @@ -2440,7 +2440,7 @@ N2(g) -2.94 1.139e-03 1.000 0.000e+00 1.080e-03 1.080e-03 Pressure (atm) = 0.10 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 25 + Iterations = 28 Total H = 1.110159e+02 Total O = 5.552377e+01 @@ -2556,7 +2556,7 @@ N2(g) -2.64 2.271e-03 1.000 0.000e+00 2.154e-03 2.154e-03 Pressure (atm) = 0.13 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 27 + Iterations = 26 Total H = 1.110195e+02 Total O = 5.552662e+01 @@ -2670,9 +2670,9 @@ N2(g) -2.36 4.414e-03 1.000 0.000e+00 4.187e-03 4.187e-03 Total CO2 (mol/kg) = 8.568e-03 Temperature (deg C) = 25.00 Pressure (atm) = 0.20 - Electrical balance (eq) = -1.216e-09 + Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 28 + Iterations = 26 Total H = 1.110263e+02 Total O = 5.553208e+01 @@ -2786,9 +2786,9 @@ N2(g) -2.06 8.764e-03 1.000 0.000e+00 8.318e-03 8.318e-03 Total CO2 (mol/kg) = 1.112e-02 Temperature (deg C) = 25.00 Pressure (atm) = 0.33 - Electrical balance (eq) = -1.216e-09 + Electrical balance (eq) = -1.217e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 30 + Iterations = 26 Total H = 1.110405e+02 Total O = 5.554334e+01 @@ -2904,7 +2904,7 @@ N2(g) -1.76 1.740e-02 1.000 0.000e+00 1.653e-02 1.653e-02 Pressure (atm) = 0.60 Electrical balance (eq) = -1.216e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 32 + Iterations = 29 Total H = 1.110690e+02 Total O = 5.556594e+01 @@ -3018,9 +3018,9 @@ N2(g) -1.46 3.463e-02 1.001 0.000e+00 3.296e-02 3.296e-02 Total CO2 (mol/kg) = 2.656e-02 Temperature (deg C) = 25.00 Pressure (atm) = 1.13 - Electrical balance (eq) = -1.228e-09 + Electrical balance (eq) = -1.227e-09 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 34 + Iterations = 33 Total H = 1.111259e+02 Total O = 5.561103e+01 diff --git a/ex7.sel b/ex7.sel index e39a5a6c..6364cf32 100644 --- a/ex7.sel +++ b/ex7.sel @@ -16,12 +16,12 @@ 3 i_gas -99 -1.5001 -21.5011 -999.9990 -999.9990 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 0.0000e+00 3 react 1.0000e-03 -1.4939 -3.2573 -4.4522 -9.6174 6.4109e-02 6.0800e-02 1.8240e-03 3.0424e-02 5.2433e-04 3.3467e-05 0.0000e+00 3 react 2.0000e-03 -1.4874 -2.9562 -4.1498 -9.3557 6.5179e-02 6.1814e-02 1.8544e-03 3.0880e-02 1.0488e-03 6.7156e-05 0.0000e+00 - 3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2036 6.6248e-02 6.2828e-02 1.8848e-03 3.1335e-02 1.5734e-03 1.0090e-04 0.0000e+00 + 3 react 3.0000e-03 -1.4811 -2.7801 -3.9729 -9.2036 6.6249e-02 6.2828e-02 1.8848e-03 3.1335e-02 1.5734e-03 1.0090e-04 0.0000e+00 3 react 4.0000e-03 -1.4748 -2.6551 -3.8475 -9.0964 6.7318e-02 6.3842e-02 1.9153e-03 3.1791e-02 2.0979e-03 1.3468e-04 0.0000e+00 3 react 8.0000e-03 -1.4506 -2.3541 -3.5456 -8.8416 7.1596e-02 6.7899e-02 2.0370e-03 3.3613e-02 4.1962e-03 2.6990e-04 0.0000e+00 - 3 react 1.6000e-02 -1.4059 -2.0530 -3.2442 -8.5948 8.0150e-02 7.6014e-02 2.2804e-03 3.7258e-02 8.3928e-03 5.4031e-04 0.0000e+00 + 3 react 1.6000e-02 -1.4059 -2.0530 -3.2442 -8.5948 8.0151e-02 7.6014e-02 2.2804e-03 3.7258e-02 8.3928e-03 5.4031e-04 0.0000e+00 3 react 3.2000e-02 -1.3284 -1.7521 -2.9435 -8.3606 9.7256e-02 9.2239e-02 2.7672e-03 4.4546e-02 1.6785e-02 1.0800e-03 0.0000e+00 - 3 react 6.4000e-02 -1.2056 -1.4512 -2.6436 -8.1439 1.3145e-01 1.2468e-01 3.7403e-03 5.9118e-02 3.3566e-02 2.1542e-03 0.0000e+00 + 3 react 6.4000e-02 -1.2056 -1.4512 -2.6436 -8.1439 1.3144e-01 1.2468e-01 3.7403e-03 5.9118e-02 3.3566e-02 2.1542e-03 0.0000e+00 3 react 1.2500e-01 -1.0387 -1.1607 -2.3551 -7.9533 1.9655e-01 1.8647e-01 5.5940e-03 8.6880e-02 6.5544e-02 4.1871e-03 0.0000e+00 3 react 2.5000e-01 -0.8206 -0.8601 -2.0572 -7.7735 3.2977e-01 3.1299e-01 9.3896e-03 1.4373e-01 1.3105e-01 8.3180e-03 0.0000e+00 3 react 5.0000e-01 -0.5686 -0.5599 -1.7592 -7.6065 5.9570e-01 5.6590e-01 1.6977e-02 2.5739e-01 2.6201e-01 1.6532e-02 0.0000e+00 diff --git a/ex8.out b/ex8.out index ae4f0651..429d6dec 100644 --- a/ex8.out +++ b/ex8.out @@ -75,7 +75,7 @@ Beginning of initial solution calculations. Initial solution 1. -WARNING: USER_PUNCH: Headings count doesn't match number of calls to PUNCH. +WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. -----------------------------Solution composition------------------------------