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Extend BinarySolutionTabulatedThermo by tabulated partial molar volumes #1072

Merged
merged 5 commits into from
Apr 14, 2022

Commits on Apr 6, 2022

  1. Extend BinarySolutionTabulatedThermo by tabulated partial molar volumes

    Enable to consider non-constant partial molar volumes provided by tabular data, since the partial molar volume of typical battery intercalation materials shows strong dependency on e.g. lithium stoichiometry. The tabular data is included in the same table as enthalpy and entropy data.
    
    -implement optional partialMolarVolume keyword in table(thermo)
    -BinarySolutionTabulatedThermo::interpolate is adjusted to be more general and also interpolate partial molar volume
    -BinarySolutionTabulatedThermo::integrate is added since partial molar volumes are often needed in integrated form (integrated over lithium stoichiometry)
    -BinarySolutionTabulatedThermo::calcDensity is adjusted since density is not constant anymore and changes with varying partial molar volumes
    dschmider-HSOG authored and David Schmider committed Apr 6, 2022
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  2. Extend BinarySolutionTabulatedThermo by tabulated partial molar volumes

    - Correct several formatting/style issues
    - Revert changes introduced in XML converters
    dschmider-HSOG authored and David Schmider committed Apr 6, 2022
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  3. Extend BinarySolutionTabulatedThermo by tabulated molar volumes

    - Change the implementation to provided molar volumes instead
      of partial molar volumes
    - Extend BinarySolutionTabulatedThermo_Test.cpp to test for added
      functionality
    - Add molarVolume data to BinarySolutionTabulatedThermo.yaml
    - Edit documentation in header file
    David Schmider committed Apr 6, 2022
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Commits on Apr 13, 2022

  1. Extend BinarySolutionTabulatedThermo by tabulated molar volumes

    - Edit method docstrings in header file
    - Change minor formatting issues
    dschmider-HSOG committed Apr 13, 2022
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Commits on Apr 14, 2022

  1. Extend BinarySolutionTabulatedThermo by tabulated molar volumes

    - Add description for molar-volume parameter to
      doc/sphinx/yaml/phases.rst in binary-solution-tabulated
    dschmider-HSOG committed Apr 14, 2022
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