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Calculations involving the calculation of Gibbs free energy when using the IdealSolidSolnPhase class (YAML name ideal-condensed) or BinarySolutionTabulatedThermo class (YAML name binary-solution-tabulated) give thermodynamically inconsistent results when the solution is not at the reference temperature and/or pressure.
speth
changed the title
Incorrect calculation of Gibbs free energy in IdealSolidSolnPhase
Incorrect calculation of Gibbs free energy in IdealSolidSolnPhase and BinarySolutionTabulatedThermo
Jun 1, 2022
Problem description
Calculations involving the calculation of Gibbs free energy when using the
IdealSolidSolnPhase
class (YAML nameideal-condensed
) orBinarySolutionTabulatedThermo
class (YAML namebinary-solution-tabulated
) give thermodynamically inconsistent results when the solution is not at the reference temperature and/or pressure.Since the latter two values are consistent, this suggests that the problem is in the
gibbs_mole
function itself.Similar results are obtained for the
binary-solution-tabulated
model by replacing the phase setup steps with:System information
main
at 8fbb4bcAdditional context
This was discovered as part of #1299, which implements Cantera/enhancements#114.
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