af38f45d1d
Fixed an error in IdealMolalSoln -> density wasn't beeing recalculated.
Updated the test problem with the fix.
Worked CANTERA_DEBUG_MODE into the Makefiles. It wasn't being used.
Split the multiproblem DH_graph_1 test into multiple directories, one per test
Worked on getting all of the test problems to have the same look, feel, and printout.
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 Molality 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 0.00000 -0.05000
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H+ Na+ 0.00000 0.00000 0.00000 0.00000 0.00000 0.03600
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H+ OH- 0.00000 0.00000 0.00000 0.00000 0.00000 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) -317.175857
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Cl- -186.014783
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H+ 0.0017225
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Na+ -441.615962
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OH- -322.000801
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------------------------------------------------------------
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Some DeltaSS values: Delta(mu_0)
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NaCl(S): Na+ + Cl- -> NaCl(S): 195.0003 kJ/gmol
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: 78.66216 (dimensionless)
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: 34.16254 (dimensionless/ln10)
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OH-: H2O(L) - H+ -> OH-: -4.823222 kJ/gmol
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: -1.945664 (dimensionless)
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: -0.8449909 (dimensionless/ln10)
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------------------------------------------------------------
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