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Darth Vader 2024-11-14 01:37:20 +00:00
commit 0d529e8de7
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14
phreeqc3-examples/CMakeLists.txt
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@ -1,7 +1,9 @@
cmake_minimum_required (VERSION 3.9)
SET(phreeqc_EXAMPLES
co2.dat
co2.tsv
co2_VP.dat
ex1
ex2
ex2b
@ -112,6 +114,18 @@ configure_file (
"co2.tsv"
)
# co2.dat
configure_file (
"co2.dat"
"co2.dat"
)
# co2_VP.dat
configure_file (
"co2_VP.dat"
"co2_VP.dat"
)
#
# run examples for testing
#

84
phreeqc3-examples/co2.dat Normal file
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@ -0,0 +1,84 @@
P 25.oC 50.oC 75.oC 100oC
10.7 0.3000
26.3 0.7068
35.8 0.9356
50.1 1.2051
50.1 1.2203
75.2 1.3932
100.2 1.4186
101.4 1.4339
136.0 1.4695
150.4 1.4695
151.6 1.4898
176.6 1.5254
200.5 1.5203
202.9 1.5610
249.4 1.5763
299.5 1.6220
399.8 1.7237
9.5 0.1831
25.3 0.433
40.5 0.612
50.6 0.771
50.7 0.769
60.6 0.908
68.2 0.932
70.8 0.994
75.3 0.989
76.0 1.005
80.8 1.075
87.2 0.999
90.9 1.133
100.9 1.162
101 1.176
101.3 1.180
101.3 1.143
101.3 1.121
111.0 1.191
121.0 1.214
122.1 1.188
126.7 1.194
141.1 1.231
147.5 1.257
147.5 1.253
152.0 1.234
152.0 1.191
176.8 1.285
200 1.307
201 1.334
202.7 1.300
301 1.431
304.0 1.398
405.3 1.485
500 1.599
608 1.639
709.3 1.710
8.4 0.0864
25.1 0.3051
51.3 0.5695
75.2 0.7576
101.4 0.9153
150.4 1.0983
199.3 1.1898
201.7 1.1898
299.5 1.3119
399.8 1.4237
699.3 1.6729
3.2 0.025
5.9 0.054
9.1 0.088
11.8 0.116
14.3 0.145
17.9 0.183
22.8 0.231
25.0 0.239
50.0 0.454
75.0 0.637
100.0 0.788
150.0 1.014
197.4 1.133
200.0 1.146
300.0 1.317
400.0 1.445
493.5 1.599
700.0 1.718

140
phreeqc3-examples/co2_VP.dat Normal file
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@ -0,0 +1,140 @@
Vm 25ｺC 50ｺC 100ｺC 150ｺC
1.195 18.537
0.955 22.572
0.796 26.371
0.684 29.865
0.596 33.307
0.528 36.494
0.476 39.407
0.432 42.170
0.490 38.585
0.324 50.489
0.246 57.871
0.200 62.155
0.058 74.739
0.053 109.870
0.049 180.783
0.046 308.620
0.043 523.452
0.040 864.844
0.038 1325.170
0.188 63.114
0.186 63.247
0.184 63.403
0.180 63.451
0.175 63.446
0.163 63.450
0.119 63.468
0.077 63.467
0.077 63.456
0.062 63.474
0.062 63.513
0.062 63.593
0.062 63.760
0.062 64.151
0.061 65.259
0.061 65.370
0.060 67.514
0.190 62.946
0.186 63.231
0.184 63.377
0.178 63.450
0.114 63.462
0.068 63.459
0.062 63.550
0.062 64.073
1.195 20.445
0.955 25.026
0.796 29.397
0.684 33.475
0.596 37.559
0.528 41.400
0.476 44.982
0.324 59.524
0.246 70.782
0.200 79.158
0.168 85.738
0.146 90.682
0.132 94.048
0.119 97.232
0.109 100.111
0.109 100.118
0.099 103.257
0.091 106.665
0.084 110.491
0.078 115.297
0.073 121.776
0.068 130.848
0.064 142.376
0.064 145.229
0.058 180.898
0.053 245.038
0.049 350.279
0.046 518.686
0.043 781.537
0.040 1178.980
0.038 1697.790
1.195 24.2483
0.955 29.8914
0.796 35.3693
0.684 40.5672
0.596 45.863
0.528 50.959
0.476 55.798
0.490 54.413
0.324 76.745
0.246 95.130
0.200 110.947
0.168 125.564
0.146 138.669
0.132 149.054
0.119 160.256
0.109 171.567
0.099 184.991
0.091 199.951
0.084 216.386
0.078 235.395
0.073 258.216
0.068 286.180
0.064 317.264
0.064 324.641
0.058 403.553
0.053 522.315
0.049 691.824
0.043 1289.390
0.040 1792.290
0.038 2419.970
1.195 28.031
0.955 34.713
0.796 41.266
0.684 47.547
0.596 54.026
0.528 60.318
0.476 66.370
0.490 64.628
0.324 93.426
0.246 111.587
0.200 141.534
0.168 164.001
0.146 185.206
0.132 202.746
0.119 222.250
0.109 242.450
0.109 242.478
0.099 266.859
0.091 294.204
0.084 324.034
0.078 357.992
0.073 397.723
0.068 444.846
0.064 495.431
0.064 507.212
0.058 628.422
0.053 799.215
0.049 1030.05
0.043 1782.41
0.040 2384.27
0.038 3117.01

1
phreeqc3-examples/ex1.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex10.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex11.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex12.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex12a.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex13a.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex13ac.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex13b.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex13c.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex14.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

1
phreeqc3-examples/ex16.out
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@ -9,6 +9,7 @@ Reading data base.
SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

9
phreeqc3-examples/ex17.out
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@ -10,6 +10,7 @@ Reading data base.
SOLUTION_SPECIES
PHASES
PITZER
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
@ -91,10 +92,10 @@ Initial solution 1. Black Sea water
pH = 8.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 29777
Specific Conductance (µS/cm, 25°C) = 29778
Density (g/cm³) = 1.01091
Volume (L) = 1.00789
Viscosity (mPa s) = 0.92658
Viscosity (mPa s) = 0.92655
Activity of water = 0.990
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
@ -213,10 +214,10 @@ Initial solution 2. Composition during halite precipitation
pH = 5.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 150248
Specific Conductance (µS/cm, 25°C) = 150307
Density (g/cm³) = 1.27237
Volume (L) = 1.13163
Viscosity (mPa s) = 3.75438
Viscosity (mPa s) = 3.75254
Activity of water = 0.678
Ionic strength (mol/kgw) = 1.111e+01
Mass of water (kg) = 1.000e+00

97
phreeqc3-examples/ex17b.out
View File

@ -10,6 +10,7 @@ Reading data base.
SOLUTION_SPECIES
PHASES
PITZER
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
@ -93,10 +94,10 @@ Initial solution 1. Black Sea water
pH = 8.000
pe = 4.000
Specific Conductance (µS/cm, 25°C) = 29777
Specific Conductance (µS/cm, 25°C) = 29778
Density (g/cm³) = 1.01091
Volume (L) = 1.00789
Viscosity (mPa s) = 0.92658
Viscosity (mPa s) = 0.92655
Activity of water = 0.990
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
@ -256,10 +257,10 @@ Polyhalite -9.73 -23.47 -13.74 0.000e+00 0 0.000e+00
pH = 8.000 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 29777
Specific Conductance (µS/cm, 25°C) = 29778
Density (g/cm³) = 1.01091
Volume (L) = 1.00789
Viscosity (mPa s) = 0.92658
Viscosity (mPa s) = 0.92655
Activity of water = 0.990
Ionic strength (mol/kgw) = 3.751e-01
Mass of water (kg) = 1.000e+00
@ -415,10 +416,10 @@ Polyhalite -7.26 -21.00 -13.74 0.000e+00 0 0.000e+00
pH = 7.848 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 73063
Specific Conductance (µS/cm, 25°C) = 73067
Density (g/cm³) = 1.03527
Volume (L) = 0.35767
Viscosity (mPa s) = 0.99372
Viscosity (mPa s) = 0.99366
Activity of water = 0.972
Ionic strength (mol/kgw) = 1.065e+00
Mass of water (kg) = 3.514e-01
@ -574,10 +575,10 @@ Polyhalite -6.70 -20.44 -13.74 0.000e+00 0 0.000e+00
pH = 7.793 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 88035
Specific Conductance (µS/cm, 25°C) = 88040
Density (g/cm³) = 1.04464
Volume (L) = 0.28547
Viscosity (mPa s) = 1.02215
Viscosity (mPa s) = 1.02207
Activity of water = 0.965
Ionic strength (mol/kgw) = 1.340e+00
Mass of water (kg) = 2.794e-01
@ -733,10 +734,10 @@ Polyhalite -5.93 -19.68 -13.74 0.000e+00 0 0.000e+00
pH = 7.710 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 111017
Specific Conductance (µS/cm, 25°C) = 111026
Density (g/cm³) = 1.06016
Volume (L) = 0.21331
Viscosity (mPa s) = 1.07296
Viscosity (mPa s) = 1.07286
Activity of water = 0.952
Ionic strength (mol/kgw) = 1.805e+00
Mass of water (kg) = 2.073e-01
@ -892,10 +893,10 @@ Polyhalite -4.92 -18.67 -13.74 0.000e+00 0 0.000e+00
pH = 7.595 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 149892
Specific Conductance (µS/cm, 25°C) = 149908
Density (g/cm³) = 1.09018
Volume (L) = 0.14120
Viscosity (mPa s) = 1.18635
Viscosity (mPa s) = 1.18620
Activity of water = 0.923
Ionic strength (mol/kgw) = 2.742e+00
Mass of water (kg) = 1.352e-01
@ -1051,10 +1052,10 @@ Polyhalite -4.70 -18.44 -13.74 0.000e+00 0 0.000e+00
pH = 7.573 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 163822
Specific Conductance (µS/cm, 25°C) = 163840
Density (g/cm³) = 1.10237
Volume (L) = 0.12317
Viscosity (mPa s) = 1.23905
Viscosity (mPa s) = 1.23888
Activity of water = 0.909
Ionic strength (mol/kgw) = 3.136e+00
Mass of water (kg) = 1.172e-01
@ -1210,10 +1211,10 @@ Polyhalite -4.40 -18.15 -13.74 0.000e+00 0 0.000e+00
pH = 7.546 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 180062
Specific Conductance (µS/cm, 25°C) = 180084
Density (g/cm³) = 1.11850
Volume (L) = 0.10515
Viscosity (mPa s) = 1.31607
Viscosity (mPa s) = 1.31587
Activity of water = 0.890
Ionic strength (mol/kgw) = 3.673e+00
Mass of water (kg) = 9.912e-02
@ -1369,10 +1370,10 @@ Polyhalite -4.00 -17.74 -13.74 0.000e+00 0 0.000e+00
pH = 7.508 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 198454
Specific Conductance (µS/cm, 25°C) = 198480
Density (g/cm³) = 1.14090
Volume (L) = 0.08716
Viscosity (mPa s) = 1.43886
Viscosity (mPa s) = 1.43861
Activity of water = 0.861
Ionic strength (mol/kgw) = 4.446e+00
Mass of water (kg) = 8.107e-02
@ -1528,10 +1529,10 @@ Polyhalite -3.38 -17.12 -13.74 0.000e+00 0 0.000e+00
pH = 7.454 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 217024
Specific Conductance (µS/cm, 25°C) = 217055
Density (g/cm³) = 1.17419
Volume (L) = 0.06922
Viscosity (mPa s) = 1.66307
Viscosity (mPa s) = 1.66275
Activity of water = 0.811
Ionic strength (mol/kgw) = 5.663e+00
Mass of water (kg) = 6.302e-02
@ -1687,10 +1688,10 @@ Polyhalite -2.55 -16.29 -13.74 0.000e+00 0 0.000e+00
pH = 7.359 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 226248
Specific Conductance (µS/cm, 25°C) = 226285
Density (g/cm³) = 1.21418
Volume (L) = 0.05088
Viscosity (mPa s) = 2.03087
Viscosity (mPa s) = 2.03044
Activity of water = 0.739
Ionic strength (mol/kgw) = 7.301e+00
Mass of water (kg) = 4.504e-02
@ -1846,10 +1847,10 @@ Polyhalite -1.68 -15.43 -13.74 0.000e+00 0 0.000e+00
pH = 7.364 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 214242
Specific Conductance (µS/cm, 25°C) = 214294
Density (g/cm³) = 1.21997
Volume (L) = 0.03050
Viscosity (mPa s) = 2.19817
Viscosity (mPa s) = 2.19748
Activity of water = 0.729
Ionic strength (mol/kgw) = 7.901e+00
Mass of water (kg) = 2.709e-02
@ -2005,10 +2006,10 @@ Polyhalite -1.34 -15.08 -13.74 0.000e+00 0 0.000e+00
pH = 7.367 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 207916
Specific Conductance (µS/cm, 25°C) = 207974
Density (g/cm³) = 1.22336
Volume (L) = 0.02541
Viscosity (mPa s) = 2.30055
Viscosity (mPa s) = 2.29973
Activity of water = 0.724
Ionic strength (mol/kgw) = 8.219e+00
Mass of water (kg) = 2.260e-02
@ -2164,10 +2165,10 @@ Polyhalite -0.87 -14.62 -13.74 0.000e+00 0 0.000e+00
pH = 7.371 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 197853
Specific Conductance (µS/cm, 25°C) = 197917
Density (g/cm³) = 1.22919
Volume (L) = 0.02033
Viscosity (mPa s) = 2.48495
Viscosity (mPa s) = 2.48392
Activity of water = 0.714
Ionic strength (mol/kgw) = 8.723e+00
Mass of water (kg) = 1.810e-02
@ -2323,10 +2324,10 @@ Polyhalite -0.42 -14.16 -13.74 0.000e+00 0 0.000e+00
pH = 7.375 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 186206
Specific Conductance (µS/cm, 25°C) = 186274
Density (g/cm³) = 1.23656
Volume (L) = 0.01675
Viscosity (mPa s) = 2.73450
Viscosity (mPa s) = 2.73323
Activity of water = 0.702
Ionic strength (mol/kgw) = 9.307e+00
Mass of water (kg) = 1.493e-02
@ -2482,10 +2483,10 @@ Polyhalite -0.26 -14.00 -13.74 0.000e+00 0 0.000e+00
pH = 7.377 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 181677
Specific Conductance (µS/cm, 25°C) = 181746
Density (g/cm³) = 1.23961
Volume (L) = 0.01574
Viscosity (mPa s) = 2.84317
Viscosity (mPa s) = 2.84181
Activity of water = 0.697
Ionic strength (mol/kgw) = 9.534e+00
Mass of water (kg) = 1.403e-02
@ -2641,10 +2642,10 @@ Polyhalite -0.08 -13.82 -13.74 0.000e+00 0 0.000e+00
pH = 7.379 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 176353
Specific Conductance (µS/cm, 25°C) = 176422
Density (g/cm³) = 1.24332
Volume (L) = 0.01472
Viscosity (mPa s) = 2.98015
Viscosity (mPa s) = 2.97868
Activity of water = 0.691
Ionic strength (mol/kgw) = 9.803e+00
Mass of water (kg) = 1.313e-02
@ -2800,10 +2801,10 @@ Polyhalite 0.00 -13.74 -13.74 0.000e+00 2.746e-04 2.746e-04
pH = 7.379 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 170258
Specific Conductance (µS/cm, 25°C) = 170327
Density (g/cm³) = 1.24638
Volume (L) = 0.01369
Viscosity (mPa s) = 3.12540
Viscosity (mPa s) = 3.12380
Activity of water = 0.686
Ionic strength (mol/kgw) = 1.005e+01
Mass of water (kg) = 1.221e-02
@ -2959,10 +2960,10 @@ Polyhalite 0.00 -13.74 -13.74 2.746e-04 7.008e-04 4.262e-04
pH = 7.378 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 163252
Specific Conductance (µS/cm, 25°C) = 163322
Density (g/cm³) = 1.24930
Volume (L) = 0.01264
Viscosity (mPa s) = 3.29229
Viscosity (mPa s) = 3.29053
Activity of water = 0.680
Ionic strength (mol/kgw) = 1.029e+01
Mass of water (kg) = 1.130e-02
@ -3118,10 +3119,10 @@ Polyhalite 0.00 -13.74 -13.74 7.008e-04 9.425e-04 2.417e-04
pH = 7.377 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 158442
Specific Conductance (µS/cm, 25°C) = 158512
Density (g/cm³) = 1.25155
Volume (L) = 0.01201
Viscosity (mPa s) = 3.41850
Viscosity (mPa s) = 3.41663
Activity of water = 0.676
Ionic strength (mol/kgw) = 1.047e+01
Mass of water (kg) = 1.075e-02
@ -3277,10 +3278,10 @@ Polyhalite 0.00 -13.74 -13.74 9.425e-04 1.172e-03 2.296e-04
pH = 7.376 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 153077
Specific Conductance (µS/cm, 25°C) = 153147
Density (g/cm³) = 1.25429
Volume (L) = 0.01139
Viscosity (mPa s) = 3.57162
Viscosity (mPa s) = 3.56962
Activity of water = 0.672
Ionic strength (mol/kgw) = 1.068e+01
Mass of water (kg) = 1.020e-02
@ -3436,10 +3437,10 @@ Polyhalite 0.00 -13.74 -13.74 1.172e-03 1.369e-03 1.969e-04
pH = 7.378 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 147417
Specific Conductance (µS/cm, 25°C) = 147486
Density (g/cm³) = 1.25755
Volume (L) = 0.01081
Viscosity (mPa s) = 3.74839
Viscosity (mPa s) = 3.74624
Activity of water = 0.667
Ionic strength (mol/kgw) = 1.091e+01
Mass of water (kg) = 9.689e-03
@ -3595,10 +3596,10 @@ Polyhalite 0.00 -13.74 -13.74 1.369e-03 1.563e-03 1.942e-04
pH = 7.386 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 140319
Specific Conductance (µS/cm, 25°C) = 140386
Density (g/cm³) = 1.26219
Volume (L) = 0.01020
Viscosity (mPa s) = 3.99402
Viscosity (mPa s) = 3.99168
Activity of water = 0.660
Ionic strength (mol/kgw) = 1.122e+01
Mass of water (kg) = 9.142e-03
@ -3754,10 +3755,10 @@ Polyhalite 0.00 -13.74 -13.74 1.563e-03 1.740e-03 1.768e-04
pH = 7.394 Charge balance
pe = 4.000 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 132216
Specific Conductance (µS/cm, 25°C) = 132282
Density (g/cm³) = 1.26804
Volume (L) = 0.00958
Viscosity (mPa s) = 4.31212
Viscosity (mPa s) = 4.30954
Activity of water = 0.652
Ionic strength (mol/kgw) = 1.158e+01
Mass of water (kg) = 8.595e-03

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phreeqc3-examples/ex18.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex19.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex19b.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex2.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex21.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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TITLE Example 22.--Compare experimental CO2 solubilities at high CO2 pressure
with Peng-Robinson calc'ns with fixed-volume gas_phase, 25, 50, 75, 100 oC.
TITLE Example 22.--Compare experimental CO2 solubilities at high CO2 pressure with
Peng-Robinson calc`ns with fixed-volume gas_phase, 25, 50, 75, 100, 150 oC.
#PRINT; -reset false
SOLUTION 1
GAS_PHASE 1
-fixed_volume
CO2(g) 0
H2O(g) 0
REACTION
CO2 1; 0 27*1
CO2 1; 0 31*1
INCREMENTAL_REACTIONS true
USER_GRAPH 1 Example 22, CO2 solubility at high pressures, 25 - 100C
-plot_tsv_file co2.tsv
-axis_titles "Pressure, in atmospheres" \
"CO2 concentration, in moles per kilogram water"
USER_GRAPH 1 Example 22,
-chart_title "CO2 solubility at high pressures, 25 - 100 ºC"
-plot_csv_file co2.dat
-axis_titles "Pressure / atm" "CO2 / (mol/kgw)"
-axis_scale x_axis 0 500
-axis_scale y_axis 0 2
-connect_simulations false
10 graph_x PR_P("CO2(g)")
20 graph_y TOT("C(4)")
-end
USER_GRAPH 2 Example 22, P-Vm of CO2 gas, 25 - 100C
-headings 25C
-axis_titles "Molar volume of CO2 gas, in liters per mole" \
"CO2 pressure, in atmospheres"
-axis_scale x_axis 0 1
-axis_scale y_axis 0 500
USER_GRAPH 2 Example 22, P-Vm of CO2 gas, 25 - 150 ºC
-chart_title "P-Vm of CO2 gas, data from Michels et al., 1935, 1937"
-plot_csv_file co2_VP.dat
-axis_titles "molar volume of CO2 gas / (L/mol)" "CO2 pressure / atm"
-axis_scale x_axis 0 0.7
-axis_scale y_axis 0 700
-connect_simulations false
10 plot_xy gas_vm, gas_p symbol = None
-end
10 graph_x gas_vm : graph_y gas_p
END
USE solution 1
USE gas_phase 1
USE reaction 1
REACTION
CO2 1; 0 29*1
REACTION_TEMPERATURE 2
50
USER_GRAPH 2
-headings 50C
END
USE solution 1
USE gas_phase 1
USE reaction 1
REACTION
CO2 1; 0 27*1
REACTION_TEMPERATURE 3
75
USER_GRAPH 2
-headings 75C
USER_GRAPH 2; -active false
END
USE solution 1
USE gas_phase 1
USE reaction 1
REACTION
CO2 1; 0 28*1
REACTION_TEMPERATURE 4
100
USER_GRAPH 2
-headings 100C
USER_GRAPH 2; -active true
END
USE solution 1
USE gas_phase 1
REACTION
CO2 1; 0 26*1
REACTION_TEMPERATURE 5
150
USER_GRAPH 1; -active false
USER_GRAPH 2; -active true
END

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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex3.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex4.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex5.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex6.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex7.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES

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phreeqc3-examples/ex8.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES
@ -618,7 +619,7 @@ Hfo_w
pH = 5.500 Charge balance
pe = 14.523 Adjusted to redox equilibrium
Specific Conductance (µS/cm, 25°C) = 9914
Specific Conductance (µS/cm, 25°C) = 9913
Density (g/cm³) = 1.00265
Volume (L) = 1.00583
Viscosity (mPa s) = 0.89480

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phreeqc3-examples/ex9.out
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SOLUTION_MASTER_SPECIES
SOLUTION_SPECIES
PHASES
GAS_BINARY_PARAMETERS
EXCHANGE_MASTER_SPECIES
EXCHANGE_SPECIES
SURFACE_MASTER_SPECIES