e1702e74a8
The output for these tests changed after the values of the physical constants were updated in r1539.
53 lines
3.1 KiB
Text
53 lines
3.1 KiB
Text
a1 = 3.04284e-10
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a2 = 3.04284e-10
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Temperature = 423.15 K
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Index Name MoleF MolalityCropped Charge
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0 H2O(L) 8.1982292e-01 5.5508435e+01 0.0
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1 Cl- 9.0088519e-02 6.0996986e+00 -1.0
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2 H+ 3.1943127e-11 2.1628000e-09 1.0
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3 Na+ 9.0088540e-02 6.0997000e+00 1.0
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4 OH- 2.0643106e-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+ 0.10037 0.37071 0.00000 -0.00457 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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Name Activity ActCoeffMolal MoleFract Molality
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H2O(L) 0.765816 0.934123 0.819823 55.5084
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Cl- 6.2164 1.01913 0.0900885 6.0997
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H+ 8.57276e-09 3.96373 3.19431e-11 2.1628e-09
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Na+ 6.21641 1.01913 0.0900885 6.0997
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OH- 6.51352e-07 0.466017 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) -317.175788
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Cl- -186.016281
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H+ 0
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Na+ -441.617151
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OH- -322.002134
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------------------------------------------------------------
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Some DeltaSS values: Delta(mu_0)
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NaCl(S): Na+ + Cl- -> NaCl(S): 195.003 kJ/gmol
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: 78.66325 (dimensionless)
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: 34.16301 (dimensionless/ln10)
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OH-: H2O(L) - H+ -> OH-: -4.826346 kJ/gmol
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: -1.946924 (dimensionless)
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: -0.8455383 (dimensionless/ln10)
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