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Updated phreeqcpp to have examples from phreeqc.

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equilibrium_phases_read_raw has duplicate lines.




git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@3724 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst 2009-10-27 20:29:04 +00:00
parent f8e54fd93e
commit a6b6c7756a
19 changed files with 475 additions and 79 deletions
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2
ex1.out
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@ -120,6 +120,8 @@ Initial solution 1. SEAWATER FROM NORDSTROM ET AL. (1979)
pH = 8.220
pe = 8.451
Specific Conductance (uS/cm, 25 oC) = 52802
Density (g/cm3) = 1.02329
Activity of water = 0.981
Ionic strength = 6.748e-01
Mass of water (kg) = 1.000e+00

4
ex10.out
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@ -119,6 +119,8 @@ Initial solution 1.
pH = 7.969 Charge balance
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 677
Density (g/cm3) = 0.99756
Activity of water = 1.000
Ionic strength = 1.105e-02
Mass of water (kg) = 1.000e+00
@ -197,6 +199,8 @@ CO2(g) -0.01 -1.48 -1.47 1.000e+01 9.961e+00 -3.944e-02
pH = 6.063 Charge balance
pe = -0.555 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1695
Density (g/cm3) = 0.99842
Activity of water = 0.999
Ionic strength = 2.906e-02
Mass of water (kg) = 9.999e-01

36
ex11.out
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@ -78,6 +78,8 @@ Initial solution 0. CaCl2
pH = 6.997 Charge balance
pe = 13.630 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 155
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.800e-03
Mass of water (kg) = 1.000e+00
@ -131,6 +133,8 @@ Initial solution 1. Initial solution for column
pH = 6.999 Charge balance
pe = 13.628 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 146
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -220,6 +224,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 159
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.307e-03
Mass of water (kg) = 1.000e+00
@ -319,6 +325,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 146
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -418,6 +426,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 152
Density (g/cm3) = 0.99710
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -509,6 +519,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 155
Density (g/cm3) = 0.99710
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -602,6 +614,8 @@ X 1.100e-03 mol
pH = 6.997 Charge balance
pe = 13.630 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 155
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.800e-03
Mass of water (kg) = 1.000e+00
@ -694,6 +708,8 @@ X 1.100e-03 mol
pH = 6.997 Charge balance
pe = 13.630 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 155
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.800e-03
Mass of water (kg) = 1.000e+00
@ -779,6 +795,8 @@ X 1.100e-03 mol
pH = 6.997 Charge balance
pe = 13.630 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 155
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.800e-03
Mass of water (kg) = 1.000e+00
@ -877,6 +895,8 @@ Initial solution 1. Initial solution for column
pH = 6.999 Charge balance
pe = 13.628 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 146
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -965,6 +985,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 146
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -1050,6 +1072,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 146
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -1334,6 +1358,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 146
Density (g/cm3) = 0.99706
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -1621,6 +1647,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 150
Density (g/cm3) = 0.99709
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -1910,6 +1938,8 @@ X 1.100e-03 mol
pH = 6.999 Charge balance
pe = 13.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 163
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.200e-03
Mass of water (kg) = 1.000e+00
@ -2202,6 +2232,8 @@ X 1.100e-03 mol
pH = 6.998 Charge balance
pe = 13.629 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 157
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.723e-03
Mass of water (kg) = 1.000e+00
@ -2494,6 +2526,8 @@ X 1.100e-03 mol
pH = 6.997 Charge balance
pe = 13.630 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 155
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.799e-03
Mass of water (kg) = 1.000e+00
@ -2786,6 +2820,8 @@ X 1.100e-03 mol
pH = 6.997 Charge balance
pe = 13.630 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 155
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.800e-03
Mass of water (kg) = 1.000e+00

6
ex13a.out
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@ -54,6 +54,8 @@ Initial solution 0.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 192
Density (g/cm3) = 0.99708
Activity of water = 1.000
Ionic strength = 1.500e-03
Mass of water (kg) = 1.000e+00
@ -135,6 +137,8 @@ Initial solution 1.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+00
@ -217,6 +221,8 @@ X 1.000e-03 mol
pH = 7.000 Charge balance
pe = 13.622 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+00

6
ex13b.out
View File

@ -54,6 +54,8 @@ Initial solution 0.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 192
Density (g/cm3) = 0.99708
Activity of water = 1.000
Ionic strength = 1.500e-03
Mass of water (kg) = 1.000e+00
@ -135,6 +137,8 @@ Initial solution 1.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+00
@ -217,6 +221,8 @@ X 1.000e-03 mol
pH = 7.000 Charge balance
pe = 13.622 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+00

6
ex13c.out
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@ -54,6 +54,8 @@ Initial solution 0.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 192
Density (g/cm3) = 0.99708
Activity of water = 1.000
Ionic strength = 1.500e-03
Mass of water (kg) = 1.000e+00
@ -135,6 +137,8 @@ Initial solution 1.
pH = 7.000
pe = 13.622 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+00
@ -217,6 +221,8 @@ X 1.000e-03 mol
pH = 7.000 Charge balance
pe = 13.622 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 141
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 1.000e-03
Mass of water (kg) = 1.000e+00

2
ex14.out
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@ -866,7 +866,7 @@ X 1.000e+00 mol
Temperature (deg C) = 25.000
Electrical balance (eq) = -8.721e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.44
Iterations = 13
Iterations = 12
Total H = 1.110124e+02
Total O = 5.552983e+01

4
ex16.out
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@ -78,6 +78,8 @@ Initial solution 1.
pH = 6.200
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 37
Density (g/cm3) = 0.99707
Activity of water = 1.000
Ionic strength = 4.851e-04
Mass of water (kg) = 1.000e+00
@ -191,6 +193,8 @@ Initial solution 2.
pH = 6.800
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 95
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.313e-03
Mass of water (kg) = 1.000e+00

4
ex17.out
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@ -88,6 +88,8 @@ Initial solution 1. Black Sea water
pH = 8.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 31006
Density (g/cm3) = 1.01093
Activity of water = 0.990
Ionic strength = 3.540e-01
Mass of water (kg) = 1.000e+00
@ -194,6 +196,8 @@ Initial solution 2. Composition during halite precipitation
pH = 5.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 417811
Density (g/cm3) = 1.29843
Activity of water = 0.802
Ionic strength = 7.827e+00
Mass of water (kg) = 1.000e+00

4
ex18.out
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@ -117,6 +117,8 @@ Initial solution 1. Recharge number 3
pH = 7.550
pe = 0.000
Specific Conductance (uS/cm, 25 oC) = 399
Density (g/cm3) = 1.00000
Activity of water = 1.000
Ionic strength = 6.543e-03
Mass of water (kg) = 1.000e+00
@ -237,6 +239,8 @@ Initial solution 2. Mysse
pH = 6.610
pe = 0.000
Specific Conductance (uS/cm, 25 oC) = 4993
Density (g/cm3) = 0.98563
Activity of water = 0.999
Ionic strength = 7.256e-02
Mass of water (kg) = 1.000e+00

104
ex2.out
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@ -57,6 +57,8 @@ Initial solution 1. Pure water
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
@ -120,6 +122,8 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.849e-01
pH = 7.067 Charge balance
pe = 10.685 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2160
Density (g/cm3) = 0.99920
Activity of water = 1.000
Ionic strength = 4.178e-02
Mass of water (kg) = 9.645e-01
@ -197,6 +201,8 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.849e-01
pH = 7.053 Charge balance
pe = 10.617 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2160
Density (g/cm3) = 0.99894
Activity of water = 1.000
Ionic strength = 4.182e-02
Mass of water (kg) = 9.645e-01
@ -274,6 +280,8 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.848e-01
pH = 7.040 Charge balance
pe = 10.548 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2161
Density (g/cm3) = 0.99868
Activity of water = 1.000
Ionic strength = 4.186e-02
Mass of water (kg) = 9.645e-01
@ -351,6 +359,8 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.848e-01
pH = 7.027 Charge balance
pe = 10.479 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2161
Density (g/cm3) = 0.99840
Activity of water = 1.000
Ionic strength = 4.189e-02
Mass of water (kg) = 9.645e-01
@ -428,6 +438,8 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.847e-01
pH = 7.014 Charge balance
pe = 10.411 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2161
Density (g/cm3) = 0.99812
Activity of water = 1.000
Ionic strength = 4.191e-02
Mass of water (kg) = 9.645e-01
@ -505,6 +517,8 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.847e-01
pH = 7.001 Charge balance
pe = 10.344 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2161
Density (g/cm3) = 0.99782
Activity of water = 1.000
Ionic strength = 4.193e-02
Mass of water (kg) = 9.645e-01
@ -582,6 +596,8 @@ Gypsum 0.00 -4.58 -4.58 1.000e+00 1.985e+00 9.846e-01
pH = 6.988 Charge balance
pe = 10.277 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2160
Density (g/cm3) = 0.99752
Activity of water = 1.000
Ionic strength = 4.194e-02
Mass of water (kg) = 9.645e-01
@ -659,6 +675,8 @@ Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.846e-01
pH = 6.975 Charge balance
pe = 10.214 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2159
Density (g/cm3) = 0.99721
Activity of water = 1.000
Ionic strength = 4.194e-02
Mass of water (kg) = 9.645e-01
@ -736,6 +754,8 @@ Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.846e-01
pH = 6.962 Charge balance
pe = 10.145 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2158
Density (g/cm3) = 0.99689
Activity of water = 1.000
Ionic strength = 4.194e-02
Mass of water (kg) = 9.645e-01
@ -813,6 +833,8 @@ Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.845e-01
pH = 6.950 Charge balance
pe = 10.079 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2157
Density (g/cm3) = 0.99656
Activity of water = 1.000
Ionic strength = 4.193e-02
Mass of water (kg) = 9.645e-01
@ -890,6 +912,8 @@ Gypsum 0.00 -4.59 -4.59 1.000e+00 1.985e+00 9.845e-01
pH = 6.937 Charge balance
pe = 10.013 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2155
Density (g/cm3) = 0.99622
Activity of water = 1.000
Ionic strength = 4.191e-02
Mass of water (kg) = 9.645e-01
@ -967,6 +991,8 @@ Gypsum 0.00 -4.59 -4.59 1.000e+00 1.984e+00 9.845e-01
pH = 6.925 Charge balance
pe = 9.946 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2152
Density (g/cm3) = 0.99588
Activity of water = 1.000
Ionic strength = 4.189e-02
Mass of water (kg) = 9.645e-01
@ -1044,6 +1070,8 @@ Gypsum 0.00 -4.59 -4.59 1.000e+00 1.984e+00 9.845e-01
pH = 6.913 Charge balance
pe = 9.883 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2150
Density (g/cm3) = 0.99552
Activity of water = 1.000
Ionic strength = 4.186e-02
Mass of water (kg) = 9.645e-01
@ -1121,6 +1149,8 @@ Gypsum 0.00 -4.59 -4.59 1.000e+00 1.984e+00 9.845e-01
pH = 6.901 Charge balance
pe = 9.732 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2147
Density (g/cm3) = 0.99516
Activity of water = 1.000
Ionic strength = 4.183e-02
Mass of water (kg) = 9.645e-01
@ -1198,6 +1228,8 @@ Gypsum 0.00 -4.60 -4.60 1.000e+00 1.984e+00 9.844e-01
pH = 6.889 Charge balance
pe = 9.769 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2144
Density (g/cm3) = 0.99479
Activity of water = 1.000
Ionic strength = 4.179e-02
Mass of water (kg) = 9.645e-01
@ -1275,6 +1307,8 @@ Gypsum 0.00 -4.60 -4.60 1.000e+00 1.984e+00 9.844e-01
pH = 6.877 Charge balance
pe = 9.697 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2141
Density (g/cm3) = 0.99441
Activity of water = 1.000
Ionic strength = 4.174e-02
Mass of water (kg) = 9.645e-01
@ -1352,6 +1386,8 @@ Gypsum 0.00 -4.60 -4.60 1.000e+00 1.984e+00 9.844e-01
pH = 6.866 Charge balance
pe = 9.628 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2137
Density (g/cm3) = 0.99403
Activity of water = 1.000
Ionic strength = 4.169e-02
Mass of water (kg) = 9.645e-01
@ -1429,6 +1465,8 @@ Gypsum 0.00 -4.60 -4.60 1.000e+00 1.984e+00 9.844e-01
pH = 6.854 Charge balance
pe = 9.566 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2134
Density (g/cm3) = 0.99364
Activity of water = 1.000
Ionic strength = 4.164e-02
Mass of water (kg) = 9.645e-01
@ -1506,6 +1544,8 @@ Gypsum 0.00 -4.60 -4.60 1.000e+00 1.984e+00 9.844e-01
pH = 6.843 Charge balance
pe = 9.503 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2129
Density (g/cm3) = 0.99324
Activity of water = 1.000
Ionic strength = 4.157e-02
Mass of water (kg) = 9.645e-01
@ -1583,6 +1623,8 @@ Gypsum 0.00 -4.61 -4.61 1.000e+00 1.984e+00 9.844e-01
pH = 6.832 Charge balance
pe = 9.441 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2125
Density (g/cm3) = 0.99283
Activity of water = 1.000
Ionic strength = 4.150e-02
Mass of water (kg) = 9.645e-01
@ -1660,6 +1702,8 @@ Gypsum 0.00 -4.61 -4.61 1.000e+00 1.984e+00 9.844e-01
pH = 6.821 Charge balance
pe = 9.379 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2121
Density (g/cm3) = 0.99242
Activity of water = 1.000
Ionic strength = 4.143e-02
Mass of water (kg) = 9.645e-01
@ -1737,6 +1781,8 @@ Gypsum 0.00 -4.61 -4.61 1.000e+00 1.984e+00 9.844e-01
pH = 6.810 Charge balance
pe = 9.317 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2116
Density (g/cm3) = 0.99200
Activity of water = 1.000
Ionic strength = 4.135e-02
Mass of water (kg) = 9.645e-01
@ -1814,6 +1860,8 @@ Gypsum 0.00 -4.61 -4.61 1.000e+00 1.984e+00 9.844e-01
pH = 6.799 Charge balance
pe = 9.255 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2111
Density (g/cm3) = 0.99157
Activity of water = 1.000
Ionic strength = 4.127e-02
Mass of water (kg) = 9.645e-01
@ -1891,6 +1939,8 @@ Gypsum 0.00 -4.62 -4.62 1.000e+00 1.984e+00 9.844e-01
pH = 6.789 Charge balance
pe = 9.240 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2105
Density (g/cm3) = 0.99114
Activity of water = 1.000
Ionic strength = 4.118e-02
Mass of water (kg) = 9.645e-01
@ -1968,6 +2018,8 @@ Gypsum 0.00 -4.62 -4.62 1.000e+00 1.984e+00 9.844e-01
pH = 6.778 Charge balance
pe = 9.136 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2100
Density (g/cm3) = 0.99070
Activity of water = 1.000
Ionic strength = 4.108e-02
Mass of water (kg) = 9.645e-01
@ -2045,6 +2097,8 @@ Gypsum 0.00 -4.62 -4.62 1.000e+00 1.984e+00 9.845e-01
pH = 6.768 Charge balance
pe = 9.071 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2094
Density (g/cm3) = 0.99025
Activity of water = 1.000
Ionic strength = 4.098e-02
Mass of water (kg) = 9.645e-01
@ -2122,6 +2176,8 @@ Gypsum 0.00 -4.62 -4.62 1.000e+00 1.984e+00 9.845e-01
pH = 6.758 Charge balance
pe = 9.013 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2088
Density (g/cm3) = 0.98980
Activity of water = 1.000
Ionic strength = 4.088e-02
Mass of water (kg) = 9.645e-01
@ -2199,6 +2255,8 @@ Gypsum 0.00 -4.63 -4.63 1.000e+00 1.984e+00 9.845e-01
pH = 6.748 Charge balance
pe = 8.952 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2082
Density (g/cm3) = 0.98935
Activity of water = 1.000
Ionic strength = 4.077e-02
Mass of water (kg) = 9.645e-01
@ -2276,6 +2334,8 @@ Gypsum 0.00 -4.63 -4.63 1.000e+00 1.985e+00 9.845e-01
pH = 6.738 Charge balance
pe = 8.894 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2075
Density (g/cm3) = 0.98888
Activity of water = 1.000
Ionic strength = 4.066e-02
Mass of water (kg) = 9.645e-01
@ -2353,6 +2413,8 @@ Gypsum 0.00 -4.63 -4.63 1.000e+00 1.985e+00 9.845e-01
pH = 6.728 Charge balance
pe = 8.832 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2069
Density (g/cm3) = 0.98842
Activity of water = 1.000
Ionic strength = 4.054e-02
Mass of water (kg) = 9.645e-01
@ -2430,6 +2492,8 @@ Gypsum 0.00 -4.64 -4.64 1.000e+00 1.985e+00 9.846e-01
pH = 6.719 Charge balance
pe = 8.773 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2062
Density (g/cm3) = 0.98795
Activity of water = 1.000
Ionic strength = 4.042e-02
Mass of water (kg) = 9.645e-01
@ -2507,6 +2571,8 @@ Gypsum 0.00 -4.64 -4.64 1.000e+00 1.985e+00 9.846e-01
pH = 6.709 Charge balance
pe = 8.714 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2055
Density (g/cm3) = 0.98747
Activity of water = 1.000
Ionic strength = 4.029e-02
Mass of water (kg) = 9.645e-01
@ -2584,6 +2650,8 @@ Gypsum 0.00 -4.64 -4.64 1.000e+00 1.985e+00 9.846e-01
pH = 6.700 Charge balance
pe = 8.656 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2048
Density (g/cm3) = 0.98699
Activity of water = 1.000
Ionic strength = 4.016e-02
Mass of water (kg) = 9.645e-01
@ -2661,6 +2729,8 @@ Gypsum 0.00 -4.65 -4.65 1.000e+00 0 -1.000e+00
pH = 6.691 Charge balance
pe = 8.590 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2039
Density (g/cm3) = 0.98651
Activity of water = 1.000
Ionic strength = 4.000e-02
Mass of water (kg) = 1.036e+00
@ -2738,6 +2808,8 @@ Gypsum -0.01 -4.66 -4.65 1.000e+00 0 -1.000e+00
pH = 6.681 Charge balance
pe = 8.533 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2006
Density (g/cm3) = 0.98599
Activity of water = 1.000
Ionic strength = 3.929e-02
Mass of water (kg) = 1.036e+00
@ -2815,6 +2887,8 @@ Gypsum -0.02 -4.67 -4.65 1.000e+00 0 -1.000e+00
pH = 6.670 Charge balance
pe = 8.477 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1972
Density (g/cm3) = 0.98547
Activity of water = 1.000
Ionic strength = 3.858e-02
Mass of water (kg) = 1.036e+00
@ -2892,6 +2966,8 @@ Gypsum -0.03 -4.69 -4.66 1.000e+00 0 -1.000e+00
pH = 6.660 Charge balance
pe = 8.337 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1939
Density (g/cm3) = 0.98494
Activity of water = 1.000
Ionic strength = 3.787e-02
Mass of water (kg) = 1.036e+00
@ -2969,6 +3045,8 @@ Gypsum -0.04 -4.70 -4.66 1.000e+00 0 -1.000e+00
pH = 6.650 Charge balance
pe = 8.365 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1906
Density (g/cm3) = 0.98441
Activity of water = 1.000
Ionic strength = 3.717e-02
Mass of water (kg) = 1.036e+00
@ -3046,6 +3124,8 @@ Gypsum -0.05 -4.71 -4.67 1.000e+00 0 -1.000e+00
pH = 6.641 Charge balance
pe = 8.309 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1873
Density (g/cm3) = 0.98388
Activity of water = 1.000
Ionic strength = 3.646e-02
Mass of water (kg) = 1.036e+00
@ -3123,6 +3203,8 @@ Gypsum -0.06 -4.73 -4.67 1.000e+00 0 -1.000e+00
pH = 6.631 Charge balance
pe = 8.254 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1840
Density (g/cm3) = 0.98335
Activity of water = 1.000
Ionic strength = 3.576e-02
Mass of water (kg) = 1.036e+00
@ -3200,6 +3282,8 @@ Gypsum -0.07 -4.74 -4.67 1.000e+00 0 -1.000e+00
pH = 6.621 Charge balance
pe = 8.253 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1807
Density (g/cm3) = 0.98282
Activity of water = 1.000
Ionic strength = 3.507e-02
Mass of water (kg) = 1.036e+00
@ -3277,6 +3361,8 @@ Gypsum -0.08 -4.75 -4.68 1.000e+00 0 -1.000e+00
pH = 6.612 Charge balance
pe = 8.144 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1774
Density (g/cm3) = 0.98229
Activity of water = 1.000
Ionic strength = 3.438e-02
Mass of water (kg) = 1.036e+00
@ -3354,6 +3440,8 @@ Gypsum -0.09 -4.77 -4.68 1.000e+00 0 -1.000e+00
pH = 6.602 Charge balance
pe = 8.092 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1742
Density (g/cm3) = 0.98177
Activity of water = 1.000
Ionic strength = 3.369e-02
Mass of water (kg) = 1.036e+00
@ -3431,6 +3519,8 @@ Gypsum -0.10 -4.78 -4.69 1.000e+00 0 -1.000e+00
pH = 6.593 Charge balance
pe = 8.038 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1709
Density (g/cm3) = 0.98124
Activity of water = 1.000
Ionic strength = 3.301e-02
Mass of water (kg) = 1.036e+00
@ -3508,6 +3598,8 @@ Gypsum -0.11 -4.80 -4.69 1.000e+00 0 -1.000e+00
pH = 6.584 Charge balance
pe = 7.983 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1677
Density (g/cm3) = 0.98071
Activity of water = 1.000
Ionic strength = 3.233e-02
Mass of water (kg) = 1.036e+00
@ -3585,6 +3677,8 @@ Gypsum -0.12 -4.81 -4.69 1.000e+00 0 -1.000e+00
pH = 6.574 Charge balance
pe = 7.931 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1645
Density (g/cm3) = 0.98019
Activity of water = 1.000
Ionic strength = 3.166e-02
Mass of water (kg) = 1.036e+00
@ -3662,6 +3756,8 @@ Gypsum -0.13 -4.83 -4.70 1.000e+00 0 -1.000e+00
pH = 6.565 Charge balance
pe = 7.878 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1614
Density (g/cm3) = 0.97967
Activity of water = 1.000
Ionic strength = 3.100e-02
Mass of water (kg) = 1.036e+00
@ -3739,6 +3835,8 @@ Gypsum -0.14 -4.84 -4.70 1.000e+00 0 -1.000e+00
pH = 6.556 Charge balance
pe = 7.824 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1582
Density (g/cm3) = 0.97915
Activity of water = 1.000
Ionic strength = 3.034e-02
Mass of water (kg) = 1.036e+00
@ -3816,6 +3914,8 @@ Gypsum -0.15 -4.86 -4.71 1.000e+00 0 -1.000e+00
pH = 6.547 Charge balance
pe = 7.769 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1551
Density (g/cm3) = 0.97864
Activity of water = 1.000
Ionic strength = 2.969e-02
Mass of water (kg) = 1.036e+00
@ -3893,6 +3993,8 @@ Gypsum -0.16 -4.87 -4.71 1.000e+00 0 -1.000e+00
pH = 6.539 Charge balance
pe = 7.717 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1520
Density (g/cm3) = 0.97814
Activity of water = 1.000
Ionic strength = 2.905e-02
Mass of water (kg) = 1.036e+00
@ -3970,6 +4072,8 @@ Gypsum -0.17 -4.89 -4.72 1.000e+00 0 -1.000e+00
pH = 6.530 Charge balance
pe = 7.667 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1490
Density (g/cm3) = 0.97764
Activity of water = 1.000
Ionic strength = 2.841e-02
Mass of water (kg) = 1.036e+00

12
ex3.out
View File

@ -50,6 +50,8 @@ Initial solution 1. Pure water
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
@ -112,6 +114,8 @@ CO2(g) -2.00 -3.47 -1.47 1.000e+01 9.998e+00 -1.976e-03
pH = 7.297 Charge balance
pe = -0.986 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 306
Density (g/cm3) = 0.99726
Activity of water = 1.000
Ionic strength = 4.826e-03
Mass of water (kg) = 1.000e+00
@ -215,6 +219,8 @@ Initial solution 2. Seawater
pH = 8.220
pe = 8.451
Specific Conductance (uS/cm, 25 oC) = 52802
Density (g/cm3) = 1.02328
Activity of water = 0.981
Ionic strength = 6.748e-01
Mass of water (kg) = 1.000e+00
@ -359,6 +365,8 @@ Mixture 1.
pH = 7.351 Charge balance
pe = -1.715 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 18675
Density (g/cm3) = 1.00526
Activity of water = 0.994
Ionic strength = 2.087e-01
Mass of water (kg) = 1.000e+00
@ -516,6 +524,8 @@ Dolomite 0.00 -17.09 -17.09 1.000e+01 1.001e+01 7.935e-03
pH = 7.056 Charge balance
pe = -1.419 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 18721
Density (g/cm3) = 1.00534
Activity of water = 0.994
Ionic strength = 2.087e-01
Mass of water (kg) = 1.000e+00
@ -671,6 +681,8 @@ Calcite 0.00 -8.48 -8.48 1.000e+01 1.000e+01 -3.992e-05
pH = 7.442 Charge balance
pe = -1.805 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 18679
Density (g/cm3) = 1.00527
Activity of water = 0.994
Ionic strength = 2.088e-01
Mass of water (kg) = 1.000e+00

8
ex4.out
View File

@ -68,6 +68,8 @@ Initial solution 1. Precipitation from Central Oklahoma
pH = 4.500
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 17
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 8.838e-05
Mass of water (kg) = 1.000e+00
@ -205,6 +207,8 @@ Reaction 1. Irreversible reaction defined in simulation 1.
pH = 3.148 Charge balance
pe = 16.530 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 342
Density (g/cm3) = 0.99709
Activity of water = 1.000
Ionic strength = 1.528e-03
Mass of water (kg) = 5.002e-02
@ -213,7 +217,7 @@ Reaction 1. Irreversible reaction defined in simulation 1.
Temperature (deg C) = 25.000
Electrical balance (eq) = 2.581e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 24.31
Iterations = 31
Iterations = 32
Total H = 5.552525e+00
Total O = 2.776344e+00
@ -358,6 +362,8 @@ Mixture 1.
pH = 3.148 Charge balance
pe = 16.530 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 342
Density (g/cm3) = 0.99709
Activity of water = 1.000
Ionic strength = 1.528e-03
Mass of water (kg) = 1.000e+00

12
ex5.out
View File

@ -61,6 +61,8 @@ Initial solution 1. PURE WATER
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
@ -145,6 +147,8 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -3.154e-08
pH = 8.279 Charge balance
pe = -4.943 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 96
Density (g/cm3) = 0.99711
Activity of water = 1.000
Ionic strength = 1.463e-03
Mass of water (kg) = 1.000e+00
@ -295,6 +299,8 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 1.000e+01 -2.667e-04
pH = 8.171 Charge balance
pe = -4.287 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 256
Density (g/cm3) = 0.99719
Activity of water = 1.000
Ionic strength = 3.591e-03
Mass of water (kg) = 1.000e+00
@ -465,6 +471,8 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.999e+00 -1.333e-03
pH = 7.982 Charge balance
pe = -3.970 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 855
Density (g/cm3) = 0.99756
Activity of water = 1.000
Ionic strength = 1.210e-02
Mass of water (kg) = 1.000e+00
@ -635,6 +643,8 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.997e+00 -2.667e-03
pH = 7.884 Charge balance
pe = -3.817 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1527
Density (g/cm3) = 0.99802
Activity of water = 1.000
Ionic strength = 2.218e-02
Mass of water (kg) = 1.000e+00
@ -805,6 +815,8 @@ Pyrite 0.00 -18.48 -18.48 1.000e+01 9.987e+00 -1.333e-02
pH = 7.719 Charge balance
pe = -3.565 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 5116
Density (g/cm3) = 1.00052
Activity of water = 0.999
Ionic strength = 7.432e-02
Mass of water (kg) = 9.996e-01

70
ex6.out
View File

@ -68,6 +68,8 @@ Initial solution 1. PURE WATER
pH = 7.000 Charge balance
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
@ -141,7 +143,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.671e-08
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.671e-08
K-feldspar -14.68 -13.81 0.88 0.000e+00 0 0.000e+00
K-mica -10.68 2.29 12.97 0.000e+00 0 0.000e+00
Kaolinite -3.80 1.90 5.71 0.000e+00 0 0.000e+00
@ -158,6 +160,8 @@ Kaolinite -3.80 1.90 5.71 0.000e+00 0 0.000e+00
pH = 7.006 Charge balance
pe = 11.468 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.262e-07
Mass of water (kg) = 1.000e+00
@ -255,7 +259,7 @@ Gibbsite 0.00 8.05 8.05 0.000e+00 1.782e-06 1.782e-06
K-feldspar -5.86 -4.99 0.88 0.000e+00 0 0.000e+00
K-mica -1.86 11.11 12.97 0.000e+00 0 0.000e+00
Kaolinite 0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.179e-06
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.179e-06
-----------------------------Solution composition------------------------------
@ -269,6 +273,8 @@ Kaolinite 0.00 5.71 5.71
pH = 8.212 Charge balance
pe = 9.894 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.185e-06
Mass of water (kg) = 1.000e+00
@ -365,7 +371,7 @@ Phase SI log IAP log KT Initial Final Delta
Gibbsite -0.73 7.32 8.05 0.000e+00 0 0.000e+00
K-feldspar -2.55 -1.67 0.88 0.000e+00 0 0.000e+00
K-mica 0.00 12.97 12.97
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.001e-05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -2.001e-05
Kaolinite 0.00 5.71 5.71 0.000e+00 9.715e-06 9.715e-06
-----------------------------Solution composition------------------------------
@ -380,6 +386,8 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 9.715e-06 9.715e-06
pH = 9.109 Charge balance
pe = 9.063 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 4
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.002e-05
Mass of water (kg) = 1.000e+00
@ -475,7 +483,7 @@ Phase SI log IAP log KT Initial Final Delta
Gibbsite -2.00 6.05 8.05 0.000e+00 0 0.000e+00
K-feldspar 0.00 0.87 0.88
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -1.909e-04
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -1.909e-04
K-mica 0.00 12.97 12.97 0.000e+00 6.361e-05 6.361e-05
Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
@ -491,6 +499,8 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
pH = 9.389 Charge balance
pe = 8.719 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00
@ -583,7 +593,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Gibbsite 0.00 8.05 8.05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.023e-06
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.023e-06
Kaolinite 0.00 5.71 5.71 1.000e+00 1.000e+00 1.237e-06
-----------------------------Solution composition------------------------------
@ -598,6 +608,8 @@ Kaolinite 0.00 5.71 5.71 1.000e+00 1.000e+00 1.237e-06
pH = 8.354 Charge balance
pe = 9.786 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 3.028e-06
Mass of water (kg) = 1.000e+00
@ -691,7 +703,7 @@ Phase SI log IAP log KT Initial Final Delta
K-mica 0.00 12.97 12.97 1.000e+00 1.000e+00 1.079e-05
Kaolinite 0.00 5.71 5.71
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.268e-05
KAlSi3O8 is reactant 1.000e+01 1.000e+01 -3.268e-05
-----------------------------Solution composition------------------------------
@ -705,6 +717,8 @@ Kaolinite 0.00 5.71 5.71
pH = 9.070 Charge balance
pe = 8.836 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.190e-05
Mass of water (kg) = 1.000e+00
@ -834,6 +848,8 @@ Kaolinite -3.45 2.25 5.71 0.000e+00 0 0.000e+00
pH = 7.031 Charge balance
pe = 11.457 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.339e-07
Mass of water (kg) = 1.000e+00
@ -933,6 +949,8 @@ Kaolinite -2.85 2.86 5.71 0.000e+00 0 0.000e+00
pH = 7.106 Charge balance
pe = 11.288 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.591e-07
Mass of water (kg) = 1.000e+00
@ -1032,6 +1050,8 @@ Kaolinite -2.25 3.46 5.71 0.000e+00 0 0.000e+00
pH = 7.241 Charge balance
pe = 11.241 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.179e-07
Mass of water (kg) = 1.000e+00
@ -1131,6 +1151,8 @@ Kaolinite -1.65 4.06 5.71 0.000e+00 0 0.000e+00
pH = 7.451 Charge balance
pe = 11.188 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 3.557e-07
Mass of water (kg) = 1.000e+00
@ -1230,6 +1252,8 @@ Kaolinite -1.05 4.66 5.71 0.000e+00 0 0.000e+00
pH = 7.715 Charge balance
pe = 10.994 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 6.595e-07
Mass of water (kg) = 1.000e+00
@ -1329,6 +1353,8 @@ Kaolinite -0.67 5.04 5.71 0.000e+00 0 0.000e+00
pH = 7.896 Charge balance
pe = 10.790 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.013e-06
Mass of water (kg) = 1.000e+00
@ -1428,6 +1454,8 @@ Kaolinite -0.07 5.64 5.71 0.000e+00 0 0.000e+00
pH = 8.178 Charge balance
pe = 10.498 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.007e-06
Mass of water (kg) = 1.000e+00
@ -1527,6 +1555,8 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 1.712e-06 1.712e-06
pH = 8.484 Charge balance
pe = 9.405 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 4.003e-06
Mass of water (kg) = 1.000e+00
@ -1626,6 +1656,8 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 3.695e-06 3.695e-06
pH = 8.779 Charge balance
pe = 9.721 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 8.002e-06
Mass of water (kg) = 1.000e+00
@ -1725,6 +1757,8 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 7.701e-06 7.701e-06
pH = 9.035 Charge balance
pe = 8.801 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.600e-05
Mass of water (kg) = 1.000e+00
@ -1824,6 +1858,8 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 5.270e-07 5.270e-07
pH = 9.072 Charge balance
pe = 8.861 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 3
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.180e-05
Mass of water (kg) = 1.000e+00
@ -1923,6 +1959,8 @@ Kaolinite -0.30 5.41 5.71 0.000e+00 0 0.000e+00
pH = 9.225 Charge balance
pe = 8.837 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 6
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 4.273e-05
Mass of water (kg) = 1.000e+00
@ -2022,6 +2060,8 @@ Kaolinite -0.48 5.23 5.71 0.000e+00 0 0.000e+00
pH = 9.305 Charge balance
pe = 8.570 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 8
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 6.671e-05
Mass of water (kg) = 1.000e+00
@ -2121,6 +2161,8 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
pH = 9.389 Charge balance
pe = 8.924 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00
@ -2291,6 +2333,8 @@ Initial solution 1.
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
@ -2391,6 +2435,8 @@ Kaolinite -9.09 -3.38 5.71 0.000e+00 0 0.000e+00
pH = 7.000 Charge balance
pe = 11.072 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.013e-07
Mass of water (kg) = 1.000e+00
@ -2487,6 +2533,8 @@ Kaolinite -4.93 0.78 5.71 0.000e+00 0 0.000e+00
pH = 7.003 Charge balance
pe = 11.083 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.137e-07
Mass of water (kg) = 1.000e+00
@ -2584,6 +2632,8 @@ Kaolinite -2.36 3.35 5.71 0.000e+00 0 0.000e+00
pH = 7.210 Charge balance
pe = 10.845 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 2.027e-07
Mass of water (kg) = 1.000e+00
@ -2681,6 +2731,8 @@ Kaolinite -0.37 5.33 5.71 0.000e+00 0 0.000e+00
pH = 8.035 Charge balance
pe = 10.092 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.415e-06
Mass of water (kg) = 1.000e+00
@ -2780,6 +2832,8 @@ Kaolinite 0.00 5.71 5.71 0.000e+00 6.727e-06 6.727e-06
pH = 8.990 Charge balance
pe = 9.180 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 2
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.406e-05
Mass of water (kg) = 1.000e+00
@ -2881,6 +2935,8 @@ Kaolinite -0.57 5.14 5.71 6.727e-06 0 -6.727e-06
pH = 9.339 Charge balance
pe = 9.157 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 8.445e-05
Mass of water (kg) = 1.000e+00
@ -2983,6 +3039,8 @@ Kaolinite -0.72 4.99 5.71 0.000e+00 0 0.000e+00
pH = 9.389 Charge balance
pe = 9.113 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 14
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.273e-04
Mass of water (kg) = 1.000e+00

60
ex7.out
View File

@ -58,6 +58,8 @@ Initial solution 1.
pH = 7.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 0
Density (g/cm3) = 0.99705
Activity of water = 1.000
Ionic strength = 1.001e-07
Mass of water (kg) = 1.000e+00
@ -120,6 +122,8 @@ CO2(g) -1.50 -2.97 -1.47 1.000e+01 9.996e+00 -3.568e-03
pH = 6.971 Charge balance
pe = -0.656 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 455
Density (g/cm3) = 0.99737
Activity of water = 1.000
Ionic strength = 7.282e-03
Mass of water (kg) = 1.000e+00
@ -228,6 +232,8 @@ Reaction 1. Irreversible reaction defined in simulation 2.
pH = 6.831 Charge balance
pe = -3.723 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 463
Density (g/cm3) = 0.99738
Activity of water = 1.000
Ionic strength = 7.353e-03
Mass of water (kg) = 1.000e+00
@ -236,7 +242,7 @@ Reaction 1. Irreversible reaction defined in simulation 2.
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.075e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 18
Iterations = 27
Total H = 1.110146e+02
Total O = 5.552186e+01
@ -323,6 +329,8 @@ Reaction 1. Irreversible reaction defined in simulation 2.
pH = 6.728 Charge balance
pe = -3.644 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 470
Density (g/cm3) = 0.99740
Activity of water = 1.000
Ionic strength = 7.422e-03
Mass of water (kg) = 1.000e+00
@ -433,6 +441,8 @@ NH3(g) -8.09 8.187e-09 0.000e+00 6.386e-13 6.386e-13
pH = 6.648 Charge balance
pe = -3.572 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 478
Density (g/cm3) = 0.99740
Activity of water = 1.000
Ionic strength = 7.491e-03
Mass of water (kg) = 1.000e+00
@ -543,6 +553,8 @@ NH3(g) -8.02 9.476e-09 0.000e+00 5.549e-12 5.549e-12
pH = 6.588 Charge balance
pe = -3.502 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 485
Density (g/cm3) = 0.99741
Activity of water = 1.000
Ionic strength = 7.558e-03
Mass of water (kg) = 9.999e-01
@ -653,6 +665,8 @@ NH3(g) -7.89 1.292e-08 0.000e+00 3.520e-11 3.520e-11
pH = 6.426 Charge balance
pe = -3.316 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 515
Density (g/cm3) = 0.99741
Activity of water = 1.000
Ionic strength = 7.823e-03
Mass of water (kg) = 9.999e-01
@ -763,6 +777,8 @@ NH3(g) -7.76 1.735e-08 0.000e+00 1.300e-10 1.300e-10
pH = 6.269 Charge balance
pe = -3.131 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 570
Density (g/cm3) = 0.99743
Activity of water = 1.000
Ionic strength = 8.320e-03
Mass of water (kg) = 9.999e-01
@ -873,6 +889,8 @@ NH3(g) -7.63 2.343e-08 0.000e+00 4.372e-10 4.372e-10
pH = 6.152 Charge balance
pe = -2.985 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 659
Density (g/cm3) = 0.99745
Activity of water = 1.000
Ionic strength = 9.121e-03
Mass of water (kg) = 9.999e-01
@ -983,6 +1001,8 @@ NH3(g) -7.54 2.911e-08 0.000e+00 1.307e-09 1.307e-09
pH = 6.083 Charge balance
pe = -2.895 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 752
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 9.965e-03
Mass of water (kg) = 9.999e-01
@ -1093,6 +1113,8 @@ NH3(g) -7.50 3.187e-08 0.000e+00 3.182e-09 3.182e-09
pH = 6.048 Charge balance
pe = -2.846 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 809
Density (g/cm3) = 0.99750
Activity of water = 0.999
Ionic strength = 1.048e-02
Mass of water (kg) = 1.000e+00
@ -1203,6 +1225,8 @@ NH3(g) -7.48 3.294e-08 0.000e+00 7.117e-09 7.117e-09
pH = 6.029 Charge balance
pe = -2.819 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 837
Density (g/cm3) = 0.99750
Activity of water = 0.999
Ionic strength = 1.074e-02
Mass of water (kg) = 1.000e+00
@ -1313,6 +1337,8 @@ NH3(g) -7.48 3.333e-08 0.000e+00 1.502e-08 1.502e-08
pH = 6.019 Charge balance
pe = -2.806 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 851
Density (g/cm3) = 0.99751
Activity of water = 0.999
Ionic strength = 1.086e-02
Mass of water (kg) = 1.000e+00
@ -1423,6 +1449,8 @@ NH3(g) -7.48 3.349e-08 0.000e+00 3.083e-08 3.083e-08
pH = 6.014 Charge balance
pe = -2.799 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 857
Density (g/cm3) = 0.99751
Activity of water = 0.999
Ionic strength = 1.091e-02
Mass of water (kg) = 1.001e+00
@ -1555,6 +1583,8 @@ NH3(g) -9.17 6.759e-10 0.000e+00 6.216e-10 6.216e-10
pH = 8.204 Charge balance
pe = -4.921 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 443
Density (g/cm3) = 0.99737
Activity of water = 1.000
Ionic strength = 7.093e-03
Mass of water (kg) = 1.000e+00
@ -1665,6 +1695,8 @@ NH3(g) -8.95 1.134e-09 0.000e+00 1.043e-09 1.043e-09
pH = 8.106 Charge balance
pe = -4.847 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 445
Density (g/cm3) = 0.99737
Activity of water = 1.000
Ionic strength = 7.132e-03
Mass of water (kg) = 1.000e+00
@ -1775,6 +1807,8 @@ NH3(g) -8.82 1.503e-09 0.000e+00 1.382e-09 1.382e-09
pH = 8.025 Charge balance
pe = -4.777 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 447
Density (g/cm3) = 0.99737
Activity of water = 1.000
Ionic strength = 7.159e-03
Mass of water (kg) = 1.000e+00
@ -1885,6 +1919,8 @@ NH3(g) -8.74 1.817e-09 0.000e+00 1.671e-09 1.671e-09
pH = 7.956 Charge balance
pe = -4.715 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 448
Density (g/cm3) = 0.99737
Activity of water = 1.000
Ionic strength = 7.179e-03
Mass of water (kg) = 1.000e+00
@ -1995,6 +2031,8 @@ NH3(g) -8.56 2.783e-09 0.000e+00 2.559e-09 2.559e-09
pH = 7.753 Charge balance
pe = -4.524 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 451
Density (g/cm3) = 0.99737
Activity of water = 1.000
Ionic strength = 7.225e-03
Mass of water (kg) = 1.000e+00
@ -2105,6 +2143,8 @@ NH3(g) -8.39 4.116e-09 0.000e+00 3.786e-09 3.786e-09
pH = 7.510 Charge balance
pe = -4.288 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 454
Density (g/cm3) = 0.99737
Activity of water = 1.000
Ionic strength = 7.265e-03
Mass of water (kg) = 1.000e+00
@ -2215,6 +2255,8 @@ NH3(g) -8.23 5.955e-09 0.000e+00 5.476e-09 5.476e-09
pH = 7.242 Charge balance
pe = -4.023 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 458
Density (g/cm3) = 0.99738
Activity of water = 1.000
Ionic strength = 7.308e-03
Mass of water (kg) = 1.000e+00
@ -2325,6 +2367,8 @@ NH3(g) -8.07 8.504e-09 0.000e+00 7.820e-09 7.820e-09
pH = 6.963 Charge balance
pe = -3.746 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 466
Density (g/cm3) = 0.99738
Activity of water = 1.000
Ionic strength = 7.383e-03
Mass of water (kg) = 1.000e+00
@ -2435,6 +2479,8 @@ NH3(g) -7.92 1.191e-08 0.000e+00 1.096e-08 1.096e-08
pH = 6.694 Charge balance
pe = -3.478 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 485
Density (g/cm3) = 0.99738
Activity of water = 1.000
Ionic strength = 7.551e-03
Mass of water (kg) = 1.000e+00
@ -2545,13 +2591,15 @@ NH3(g) -7.77 1.683e-08 0.000e+00 1.547e-08 1.547e-08
pH = 6.432 Charge balance
pe = -3.216 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 532
Density (g/cm3) = 0.99740
Activity of water = 1.000
Ionic strength = 7.974e-03
Mass of water (kg) = 1.000e+00
Total alkalinity (eq/kg) = 5.714e-03
Total CO2 (mol/kg) = 9.953e-03
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.073e-10
Electrical balance (eq) = -1.072e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 17
Total H = 1.110405e+02
@ -2655,6 +2703,8 @@ NH3(g) -7.62 2.373e-08 0.000e+00 2.183e-08 2.183e-08
pH = 6.201 Charge balance
pe = -2.986 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 639
Density (g/cm3) = 0.99744
Activity of water = 1.000
Ionic strength = 8.940e-03
Mass of water (kg) = 1.000e+00
@ -2765,15 +2815,17 @@ NH3(g) -7.47 3.351e-08 0.000e+00 3.081e-08 3.081e-08
pH = 6.014 Charge balance
pe = -2.799 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 857
Density (g/cm3) = 0.99751
Activity of water = 0.999
Ionic strength = 1.092e-02
Mass of water (kg) = 1.001e+00
Total alkalinity (eq/kg) = 8.756e-03
Total CO2 (mol/kg) = 2.558e-02
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.075e-10
Electrical balance (eq) = -1.001e-10
Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00
Iterations = 17
Iterations = 14
Total H = 1.111262e+02
Total O = 5.560960e+01

184
ex8.out
View File

@ -80,6 +80,8 @@ Initial solution 1.
pH = 8.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 10335
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -141,6 +143,8 @@ Initial solution 2.
pH = 8.000
pe = 4.000
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.001e-01
Mass of water (kg) = 1.000e+00
@ -220,7 +224,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -5.00 -5.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.273e-04
NaOH is reactant 1.000e+01 1.000e+01 1.273e-04
------------------------------Surface composition------------------------------
@ -266,6 +270,8 @@ Hfo_w
pH = 5.000 Charge balance
pe = 15.095 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.994e-02
Mass of water (kg) = 1.000e+00
@ -351,7 +357,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -5.25 -5.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.060e-04
NaOH is reactant 1.000e+01 1.000e+01 1.060e-04
------------------------------Surface composition------------------------------
@ -397,6 +403,8 @@ Hfo_w
pH = 5.250 Charge balance
pe = 14.809 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.995e-02
Mass of water (kg) = 1.000e+00
@ -482,7 +490,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -5.50 -5.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 8.815e-05
NaOH is reactant 1.000e+01 1.000e+01 8.815e-05
------------------------------Surface composition------------------------------
@ -528,6 +536,8 @@ Hfo_w
pH = 5.500 Charge balance
pe = 14.523 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.996e-02
Mass of water (kg) = 1.000e+00
@ -613,7 +623,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -5.75 -5.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 7.298e-05
NaOH is reactant 1.000e+01 1.000e+01 7.298e-05
------------------------------Surface composition------------------------------
@ -659,6 +669,8 @@ Hfo_w
pH = 5.750 Charge balance
pe = 14.237 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.997e-02
Mass of water (kg) = 1.000e+00
@ -744,7 +756,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -6.00 -6.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 5.997e-05
NaOH is reactant 1.000e+01 1.000e+01 5.997e-05
------------------------------Surface composition------------------------------
@ -790,6 +802,8 @@ Hfo_w
pH = 6.000 Charge balance
pe = 13.952 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.997e-02
Mass of water (kg) = 1.000e+00
@ -875,7 +889,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -6.25 -6.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 4.875e-05
NaOH is reactant 1.000e+01 1.000e+01 4.875e-05
------------------------------Surface composition------------------------------
@ -921,6 +935,8 @@ Hfo_w
pH = 6.250 Charge balance
pe = 13.666 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.998e-02
Mass of water (kg) = 1.000e+00
@ -1006,7 +1022,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -6.50 -6.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 3.904e-05
NaOH is reactant 1.000e+01 1.000e+01 3.904e-05
------------------------------Surface composition------------------------------
@ -1052,6 +1068,8 @@ Hfo_w
pH = 6.500 Charge balance
pe = 13.380 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.998e-02
Mass of water (kg) = 1.000e+00
@ -1137,7 +1155,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -6.75 -6.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 3.063e-05
NaOH is reactant 1.000e+01 1.000e+01 3.063e-05
------------------------------Surface composition------------------------------
@ -1183,6 +1201,8 @@ Hfo_w
pH = 6.750 Charge balance
pe = 13.095 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10334
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.999e-02
Mass of water (kg) = 1.000e+00
@ -1268,7 +1288,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -7.00 -7.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 2.330e-05
NaOH is reactant 1.000e+01 1.000e+01 2.330e-05
------------------------------Surface composition------------------------------
@ -1314,6 +1334,8 @@ Hfo_w
pH = 7.000 Charge balance
pe = 12.809 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10334
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.999e-02
Mass of water (kg) = 1.000e+00
@ -1399,7 +1421,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -7.25 -7.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.683e-05
NaOH is reactant 1.000e+01 1.000e+01 1.683e-05
------------------------------Surface composition------------------------------
@ -1445,6 +1467,8 @@ Hfo_w
pH = 7.250 Charge balance
pe = 12.523 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10334
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 9.999e-02
Mass of water (kg) = 1.000e+00
@ -1530,7 +1554,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -7.50 -7.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.097e-05
NaOH is reactant 1.000e+01 1.000e+01 1.097e-05
------------------------------Surface composition------------------------------
@ -1576,6 +1600,8 @@ Hfo_w
pH = 7.500 Charge balance
pe = 12.237 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10335
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -1661,7 +1687,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -7.75 -7.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 5.425e-06
NaOH is reactant 1.000e+01 1.000e+01 5.425e-06
------------------------------Surface composition------------------------------
@ -1707,6 +1733,8 @@ Hfo_w
pH = 7.750 Charge balance
pe = 11.952 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10335
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -1792,7 +1820,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -8.00 -8.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 -1.388e-07
NaOH is reactant 1.000e+01 1.000e+01 -1.388e-07
------------------------------Surface composition------------------------------
@ -1838,6 +1866,8 @@ Hfo_w
pH = 8.000 Charge balance
pe = 11.666 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10335
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -1923,7 +1953,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -5.00 -5.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.399e-04
NaOH is reactant 1.000e+01 1.000e+01 1.399e-04
------------------------------Surface composition------------------------------
@ -1969,6 +1999,8 @@ Hfo_w
pH = 5.000 Charge balance
pe = 15.095 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10331
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -2054,7 +2086,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -5.25 -5.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.178e-04
NaOH is reactant 1.000e+01 1.000e+01 1.178e-04
------------------------------Surface composition------------------------------
@ -2100,6 +2132,8 @@ Hfo_w
pH = 5.250 Charge balance
pe = 14.809 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10331
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -2185,7 +2219,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -5.50 -5.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 9.839e-05
NaOH is reactant 1.000e+01 1.000e+01 9.839e-05
------------------------------Surface composition------------------------------
@ -2231,6 +2265,8 @@ Hfo_w
pH = 5.500 Charge balance
pe = 14.523 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10330
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.001e-01
Mass of water (kg) = 1.000e+00
@ -2240,7 +2276,7 @@ Hfo_w
Temperature (deg C) = 25.000
Electrical balance (eq) = -8.263e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.04
Iterations = 21
Iterations = 22
Total H = 1.110123e+02
Total O = 5.580613e+01
@ -2257,17 +2293,17 @@ H(0) 0.000e+00
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.099 -53.227 -0.128
NH3 0.000e+00 0.000e+00 -56.981 -56.971 0.010
N(0) 7.994e-07
N(0) 7.993e-07
N2 3.997e-07 4.090e-07 -6.398 -6.388 0.010
N(3) 3.351e-13
NO2- 3.351e-13 2.526e-13 -12.475 -12.598 -0.123
NO2- 3.351e-13 2.525e-13 -12.475 -12.598 -0.123
N(5) 1.000e-01
NO3- 1.000e-01 7.536e-02 -1.000 -1.123 -0.123
Na 9.972e-02
Na+ 9.972e-02 7.806e-02 -1.001 -1.108 -0.106
NaOH 1.588e-10 1.625e-10 -9.799 -9.789 0.010
O(0) 1.998e-06
O2 9.991e-07 1.022e-06 -6.000 -5.990 0.010
O2 9.992e-07 1.022e-06 -6.000 -5.990 0.010
Zn 9.832e-05
Zn+2 9.830e-05 3.702e-05 -4.007 -4.432 -0.424
ZnOH+ 1.637e-08 1.279e-08 -7.786 -7.893 -0.107
@ -2316,7 +2352,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -5.75 -5.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 8.089e-05
NaOH is reactant 1.000e+01 1.000e+01 8.089e-05
------------------------------Surface composition------------------------------
@ -2362,6 +2398,8 @@ Hfo_w
pH = 5.750 Charge balance
pe = 14.237 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10331
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.001e-01
Mass of water (kg) = 1.000e+00
@ -2447,7 +2485,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -6.00 -6.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 6.529e-05
NaOH is reactant 1.000e+01 1.000e+01 6.529e-05
------------------------------Surface composition------------------------------
@ -2493,6 +2531,8 @@ Hfo_w
pH = 6.000 Charge balance
pe = 13.952 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10331
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.001e-01
Mass of water (kg) = 1.000e+00
@ -2519,7 +2559,7 @@ H(0) 0.000e+00
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.527 -53.655 -0.128
NH3 0.000e+00 0.000e+00 -56.909 -56.899 0.010
N(0) 4.143e-07
N(0) 4.144e-07
N2 2.072e-07 2.120e-07 -6.684 -6.674 0.010
N(3) 4.657e-13
NO2- 4.657e-13 3.510e-13 -12.332 -12.455 -0.123
@ -2578,7 +2618,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -6.25 -6.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 5.100e-05
NaOH is reactant 1.000e+01 1.000e+01 5.100e-05
------------------------------Surface composition------------------------------
@ -2624,6 +2664,8 @@ Hfo_w
pH = 6.250 Charge balance
pe = 13.666 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10331
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.001e-01
Mass of water (kg) = 1.000e+00
@ -2633,7 +2675,7 @@ Hfo_w
Temperature (deg C) = 25.000
Electrical balance (eq) = -4.813e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.02
Iterations = 21
Iterations = 22
Total H = 1.110124e+02
Total O = 5.580618e+01
@ -2648,19 +2690,19 @@ Hfo_w
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.992 -42.982 0.010
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -53.741 -53.869 -0.128
NH3 0.000e+00 0.000e+00 -56.873 -56.863 0.010
N(0) 2.984e-07
N2 1.492e-07 1.527e-07 -6.826 -6.816 0.010
N(3) 5.490e-13
NO2- 5.490e-13 4.138e-13 -12.260 -12.383 -0.123
NH4+ 0.000e+00 0.000e+00 -53.742 -53.869 -0.128
NH3 0.000e+00 0.000e+00 -56.874 -56.864 0.010
N(0) 2.980e-07
N2 1.490e-07 1.525e-07 -6.827 -6.817 0.010
N(3) 5.489e-13
NO2- 5.489e-13 4.136e-13 -12.261 -12.383 -0.123
N(5) 1.000e-01
NO3- 1.000e-01 7.536e-02 -1.000 -1.123 -0.123
Na 9.976e-02
Na+ 9.976e-02 7.810e-02 -1.001 -1.107 -0.106
NaOH 8.936e-10 9.145e-10 -9.049 -9.039 0.010
O(0) 7.444e-07
O2 3.722e-07 3.809e-07 -6.429 -6.419 0.010
O(0) 7.449e-07
O2 3.724e-07 3.811e-07 -6.429 -6.419 0.010
Zn 9.374e-05
Zn+2 9.365e-05 3.526e-05 -4.028 -4.453 -0.424
ZnOH+ 8.769e-08 6.853e-08 -7.057 -7.164 -0.107
@ -2709,7 +2751,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -6.50 -6.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 3.598e-05
NaOH is reactant 1.000e+01 1.000e+01 3.598e-05
------------------------------Surface composition------------------------------
@ -2755,6 +2797,8 @@ Hfo_w
pH = 6.500 Charge balance
pe = 13.380 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10331
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.001e-01
Mass of water (kg) = 1.000e+00
@ -2840,7 +2884,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -6.75 -6.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 1.709e-05
NaOH is reactant 1.000e+01 1.000e+01 1.709e-05
------------------------------Surface composition------------------------------
@ -2886,6 +2930,8 @@ Hfo_w
pH = 6.750 Charge balance
pe = 13.095 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10332
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.001e-01
Mass of water (kg) = 1.000e+00
@ -2971,7 +3017,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -7.00 -7.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 -7.621e-06
NaOH is reactant 1.000e+01 1.000e+01 -7.621e-06
------------------------------Surface composition------------------------------
@ -3017,6 +3063,8 @@ Hfo_w
pH = 7.000 Charge balance
pe = 12.809 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10332
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.001e-01
Mass of water (kg) = 1.000e+00
@ -3043,16 +3091,16 @@ H(0) 0.000e+00
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.384 -54.512 -0.128
NH3 0.000e+00 0.000e+00 -56.766 -56.756 0.010
N(0) 1.111e-07
N2 5.557e-08 5.687e-08 -7.255 -7.245 0.010
N(3) 8.991e-13
NO2- 8.991e-13 6.776e-13 -12.046 -12.169 -0.123
N(0) 1.112e-07
N2 5.562e-08 5.691e-08 -7.255 -7.245 0.010
N(3) 8.992e-13
NO2- 8.992e-13 6.777e-13 -12.046 -12.169 -0.123
N(5) 1.000e-01
NO3- 1.000e-01 7.536e-02 -1.000 -1.123 -0.123
Na 9.982e-02
Na+ 9.982e-02 7.815e-02 -1.001 -1.107 -0.106
NaOH 5.028e-09 5.146e-09 -8.299 -8.289 0.010
O(0) 2.776e-07
O(0) 2.775e-07
O2 1.388e-07 1.420e-07 -6.858 -6.848 0.010
Zn 7.501e-05
Zn+2 7.458e-05 2.808e-05 -4.127 -4.552 -0.424
@ -3068,7 +3116,7 @@ Zn 7.501e-05
Fix_H+ -7.00 -7.00 0.00 H+
H2(g) -39.62 -42.77 -3.15 H2
H2O(g) -1.51 0.00 1.51 H2O
N2(g) -3.99 -7.25 -3.26 N2
N2(g) -3.98 -7.24 -3.26 N2
NH3(g) -58.53 -56.76 1.77 NH3
O2(g) -3.96 -6.85 -2.89 O2
Zn(OH)2(e) -2.05 9.45 11.50 Zn(OH)2
@ -3102,7 +3150,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -7.25 -7.25 0.00
NaOH is reactant 1.000e+01 1.000e+01 -3.628e-05
NaOH is reactant 1.000e+01 1.000e+01 -3.628e-05
------------------------------Surface composition------------------------------
@ -3148,6 +3196,8 @@ Hfo_w
pH = 7.250 Charge balance
pe = 12.523 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -3157,7 +3207,7 @@ Hfo_w
Temperature (deg C) = 25.000
Electrical balance (eq) = -2.514e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 22
Iterations = 24
Total H = 1.110125e+02
Total O = 5.580627e+01
@ -3172,19 +3222,19 @@ Hfo_w
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.706 -42.696 0.010
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.597 -54.725 -0.128
NH3 0.000e+00 0.000e+00 -56.730 -56.720 0.010
N(0) 8.022e-08
N2 4.011e-08 4.104e-08 -7.397 -7.387 0.010
NH4+ 0.000e+00 0.000e+00 -54.599 -54.727 -0.128
NH3 0.000e+00 0.000e+00 -56.731 -56.721 0.010
N(0) 7.993e-08
N2 3.997e-08 4.090e-08 -7.398 -7.388 0.010
N(3) 1.060e-12
NO2- 1.060e-12 7.992e-13 -11.975 -12.097 -0.123
NO2- 1.060e-12 7.986e-13 -11.975 -12.098 -0.123
N(5) 1.000e-01
NO3- 1.000e-01 7.536e-02 -1.000 -1.123 -0.123
Na 9.985e-02
Na+ 9.985e-02 7.817e-02 -1.001 -1.107 -0.106
NaOH 8.944e-09 9.153e-09 -8.048 -8.038 0.010
O(0) 1.996e-07
O2 9.978e-08 1.021e-07 -7.001 -6.991 0.010
O(0) 1.998e-07
O2 9.992e-08 1.022e-07 -7.000 -6.990 0.010
Zn 6.245e-05
Zn+2 6.179e-05 2.327e-05 -4.209 -4.633 -0.424
ZnOH+ 5.786e-07 4.521e-07 -6.238 -6.345 -0.107
@ -3233,7 +3283,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -7.50 -7.50 0.00
NaOH is reactant 1.000e+01 1.000e+01 -6.533e-05
NaOH is reactant 1.000e+01 1.000e+01 -6.533e-05
------------------------------Surface composition------------------------------
@ -3279,6 +3329,8 @@ Hfo_w
pH = 7.500 Charge balance
pe = 12.237 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -3305,7 +3357,7 @@ H(0) 0.000e+00
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -54.813 -54.941 -0.128
NH3 0.000e+00 0.000e+00 -56.695 -56.685 0.010
N(0) 5.754e-08
N(0) 5.753e-08
N2 2.877e-08 2.944e-08 -7.541 -7.531 0.010
N(3) 1.249e-12
NO2- 1.249e-12 9.414e-13 -11.903 -12.026 -0.123
@ -3364,7 +3416,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -7.75 -7.75 0.00
NaOH is reactant 1.000e+01 1.000e+01 -9.246e-05
NaOH is reactant 1.000e+01 1.000e+01 -9.246e-05
------------------------------Surface composition------------------------------
@ -3410,6 +3462,8 @@ Hfo_w
pH = 7.750 Charge balance
pe = 11.952 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10333
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -3495,7 +3549,7 @@ Using pure phase assemblage 1.
Phase SI log IAP log KT Initial Final Delta
Fix_H+ -8.00 -8.00 0.00
NaOH is reactant 1.000e+01 1.000e+01 -1.167e-04
NaOH is reactant 1.000e+01 1.000e+01 -1.167e-04
------------------------------Surface composition------------------------------
@ -3541,6 +3595,8 @@ Hfo_w
pH = 8.000 Charge balance
pe = 11.666 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 10334
Density (g/cm3) = 0.99791
Activity of water = 0.997
Ionic strength = 1.000e-01
Mass of water (kg) = 1.000e+00
@ -3550,7 +3606,7 @@ Hfo_w
Temperature (deg C) = 25.000
Electrical balance (eq) = -1.856e-05
Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.01
Iterations = 24
Iterations = 23
Total H = 1.110127e+02
Total O = 5.580635e+01
@ -3565,19 +3621,19 @@ Hfo_w
H(0) 0.000e+00
H2 0.000e+00 0.000e+00 -42.492 -42.482 0.010
N(-3) 0.000e+00
NH4+ 0.000e+00 0.000e+00 -55.242 -55.369 -0.128
NH3 0.000e+00 0.000e+00 -56.624 -56.614 0.010
N(0) 2.980e-08
N2 1.490e-08 1.525e-08 -7.827 -7.817 0.010
N(3) 1.736e-12
NO2- 1.736e-12 1.308e-12 -11.761 -11.883 -0.123
NH4+ 0.000e+00 0.000e+00 -55.241 -55.368 -0.128
NH3 0.000e+00 0.000e+00 -56.623 -56.613 0.010
N(0) 2.988e-08
N2 1.494e-08 1.529e-08 -7.826 -7.816 0.010
N(3) 1.737e-12
NO2- 1.737e-12 1.309e-12 -11.760 -11.883 -0.123
N(5) 1.000e-01
NO3- 1.000e-01 7.537e-02 -1.000 -1.123 -0.123
Na 9.993e-02
Na+ 9.993e-02 7.823e-02 -1.000 -1.107 -0.106
NaOH 5.034e-08 5.151e-08 -7.298 -7.288 0.010
O(0) 7.449e-08
O2 3.725e-08 3.811e-08 -7.429 -7.419 0.010
O(0) 7.441e-08
O2 3.720e-08 3.807e-08 -7.429 -7.419 0.010
Zn 2.761e-05
Zn+2 2.513e-05 9.463e-06 -4.600 -5.024 -0.424
ZnOH+ 1.323e-06 1.034e-06 -5.878 -5.985 -0.107

6
ex8.sel
View File

@ -17,11 +17,11 @@
17 react 2 -99 0 1 5.5 14.5231 9.8300e-05 9.7297e-08 1.5866e-06
18 react 2 -99 0 1 5.75 14.2374 9.6947e-05 2.5891e-07 2.7658e-06
19 react 2 -99 0 1 6 13.9517 9.5437e-05 6.8302e-07 3.8297e-06
20 react 2 -99 0 1 6.25 13.6659 9.3651e-05 1.7815e-06 4.4782e-06
20 react 2 -99 0 1 6.25 13.666 9.3651e-05 1.7815e-06 4.4782e-06
21 react 2 -99 0 1 6.5 13.3803 9.0584e-05 4.4798e-06 4.7815e-06
22 react 2 -99 0 1 6.75 13.0946 8.4566e-05 1.0266e-05 4.9051e-06
23 react 2 -99 0 1 7 12.8088 7.4581e-05 2.0039e-05 4.9534e-06
24 react 2 -99 0 1 7.25 12.523 6.1786e-05 3.2572e-05 4.9732e-06
24 react 2 -99 0 1 7.25 12.5232 6.1786e-05 3.2572e-05 4.9732e-06
25 react 2 -99 0 1 7.5 12.2374 4.8388e-05 4.5601e-05 4.9823e-06
26 react 2 -99 0 1 7.75 11.9517 3.5918e-05 5.7508e-05 4.9871e-06
27 react 2 -99 0 1 8 11.666 2.5127e-05 6.7404e-05 4.9897e-06
27 react 2 -99 0 1 8 11.6659 2.5127e-05 6.7404e-05 4.9897e-06

24
ex9.out
View File

@ -167,6 +167,8 @@ Initial solution 1.
pH = 7.000
pe = 13.629 Equilibrium with O2(g)
Specific Conductance (uS/cm, 25 oC) = 1199
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.030e-02
Mass of water (kg) = 1.000e+00
@ -253,6 +255,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -2.645e-07
pH = 6.048 Charge balance
pe = 14.582 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1199
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.030e-02
Mass of water (kg) = 1.000e+00
@ -348,6 +352,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -1.841e-07
pH = 5.810 Charge balance
pe = 14.820 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1199
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.030e-02
Mass of water (kg) = 1.000e+00
@ -443,6 +449,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.036e-07
pH = 5.525 Charge balance
pe = 15.105 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1200
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.029e-02
Mass of water (kg) = 1.000e+00
@ -538,6 +546,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.883e-07
pH = 5.327 Charge balance
pe = 15.303 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1200
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.029e-02
Mass of water (kg) = 1.000e+00
@ -633,6 +643,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.689e-07
pH = 5.197 Charge balance
pe = 15.432 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1201
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.029e-02
Mass of water (kg) = 1.000e+00
@ -728,6 +740,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.017e-07
pH = 5.075 Charge balance
pe = 15.554 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1202
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.029e-02
Mass of water (kg) = 1.000e+00
@ -823,6 +837,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -6.156e-07
pH = 4.979 Charge balance
pe = 15.651 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1202
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.029e-02
Mass of water (kg) = 1.000e+00
@ -918,6 +934,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -7.722e-07
pH = 4.884 Charge balance
pe = 15.745 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1203
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.028e-02
Mass of water (kg) = 1.000e+00
@ -1013,6 +1031,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -5.394e-07
pH = 4.829 Charge balance
pe = 15.800 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1204
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.028e-02
Mass of water (kg) = 1.000e+00
@ -1108,6 +1128,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -4.279e-07
pH = 4.790 Charge balance
pe = 15.839 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1205
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.028e-02
Mass of water (kg) = 1.000e+00
@ -1203,6 +1225,8 @@ O2(g) -0.67 -3.56 -2.89 1.000e+01 1.000e+01 -3.603e-07
pH = 4.760 Charge balance
pe = 15.869 Adjusted to redox equilibrium
Specific Conductance (uS/cm, 25 oC) = 1205
Density (g/cm3) = 0.99748
Activity of water = 1.000
Ionic strength = 1.028e-02
Mass of water (kg) = 1.000e+00