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Fix fixed-mixture density for condensed reactants - #102

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markleader merged 1 commit into
nasa:mainfrom
markleader:fix/get_reactant_density
Aug 3, 2026
Merged

Fix fixed-mixture density for condensed reactants#102
markleader merged 1 commit into
nasa:mainfrom
markleader:fix/get_reactant_density

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Summary

Fix non-finite density and volume results when Mixture.calc_property is called for liquid or other condensed reactants before equilibrium analysis.

Changes

  • Allow fixed-mixture density and volume calculations to include condensed reactant moles in the existing ideal-mixture relation.
  • Preserve the default behavior that excludes condensed species from pressure and PV contributions in equilibrium and energy calculations.
  • Correct the multi-temperature density and volume unit scaling to match the single-temperature path.
  • Add Fortran and Python regression coverage for:
    • Pure O2(L).
    • CH4(L)/O2(L) mixtures.
    • Scalar versus per-species temperatures.
    • Reciprocal density and specific volume.

The CH4(L)/O2(L) reproduction now returns 2.251e-01 g/cc instead of a non-finite value.

Testing

  • ctest -R 'cea_core_test' -V
  • pytest source/bind/python/tests — 68 passed

Compatibility / Numerical behavior

  • No expected changes to numerical results
  • Expected changes (explain and provide validation)

Fixed-mixture density and volume results now include condensed reactants and are finite. Multi-temperature density and volume results also receive the same unit scaling as the single-temperature path.

@markleader
markleader merged commit 53be6aa into nasa:main Aug 3, 2026
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@markleader
markleader deleted the fix/get_reactant_density branch August 3, 2026 19:06
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