e1702e74a8
The output for these tests changed after the values of the physical constants were updated in r1539.
58 lines
3.3 KiB
Text
58 lines
3.3 KiB
Text
Index Name MoleF MolalityCropped Charge
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0 H2O(L) 8.1992706e-01 5.5508435e+01 0.0
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1 Cl- 9.0036447e-02 6.0953986e+00 -1.0
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2 H+ 3.1947189e-11 2.1628000e-09 1.0
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3 Na+ 9.0036468e-02 6.0954000e+00 1.0
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4 OH- 2.0645728e-08 1.3977000e-06 -1.0
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Species Species beta0MX beta1MX beta2MX CphiMX alphaMX thetaij
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Cl- H+ 0.17750 0.29450 0.00000 0.00080 2.00000 0.00000
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Cl- Na+ 0.07650 0.26640 0.00000 0.00127 2.00000 0.00000
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Cl- OH- 0.00000 0.00000 0.00000 0.00000 2.00000 -0.05000
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H+ Na+ 0.00000 0.00000 0.00000 0.00000 2.00000 0.03600
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H+ OH- 0.00000 0.00000 0.00000 0.00000 2.00000 0.00000
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Na+ OH- 0.08640 0.25300 0.00000 0.00440 2.00000 0.00000
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Species Species Species psi
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Cl- H+ Na+ -0.00400
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Cl- Na+ H+ -0.00400
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Cl- Na+ OH- -0.00600
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Cl- OH- Na+ -0.00600
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H+ Cl- Na+ -0.00400
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H+ Na+ Cl- -0.00400
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Na+ Cl- H+ -0.00400
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Na+ Cl- OH- -0.00600
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Na+ H+ Cl- -0.00400
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Na+ OH- Cl- -0.00600
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OH- Cl- Na+ -0.00600
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OH- Na+ Cl- -0.00600
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a1 = 3.04284e-10
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a2 = 3.04284e-10
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Name Activity ActCoeffMolal MoleFract Molality
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H2O(L) 0.754581 0.92042 0.819823 55.5084
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Cl- 6.09579 0.999359 0.0900885 6.0997
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H+ 1.00009e-08 4.62404 3.19431e-11 2.1628e-09
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Na+ 6.09579 0.999359 0.0900885 6.0997
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OH- 7.5986e-07 0.54365 2.06431e-08 1.3977e-06
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Species Standard chemical potentials (kJ/gmol)
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------------------------------------------------------------
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H2O(L) -306.685728
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Cl- -131.066416
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H+ 0
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Na+ -311.16189
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OH- -226.88157
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------------------------------------------------------------
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Some DeltaSS values: Delta(mu_0)
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NaCl(S): Na+ + Cl- -> NaCl(S): 9.597906 kJ/gmol
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: 3.871747 (dimensionless)
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: 1.681478 (dimensionless/ln10)
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G0(NaCl(S)) = -432.6304 (fixed)
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G0(Na+) = -311.1619
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G0(Cl-) = -131.0664
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OH-: H2O(L) - H+ -> OH-: 79.80416 kJ/gmol
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: 32.1926 (dimensionless)
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: 13.98107 (dimensionless/ln10)
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G0(OH-) = -226.8816
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G0(H+) = 0
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G0(H2O(L)) = -306.6857
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