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Simplify Molar Mixture Properties #1837
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #1837 +/- ##
==========================================
- Coverage 74.41% 74.39% -0.02%
==========================================
Files 382 382
Lines 53411 53328 -83
Branches 9026 9020 -6
==========================================
- Hits 39747 39676 -71
+ Misses 10617 10606 -11
+ Partials 3047 3046 -1 ☔ View full report in Codecov by Sentry. |
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Changes proposed in this pull request
There are some instances where
ThermoPhase
objects use redundant code for the evaluation of molar mixture properties.This PR seeks to provide a more uniform approach to evaluating molar properties. By default, average properties should be calculated as a weighted sum, e.g.$\bar{h} = \sum X_k \bar{h}_k$ .
getPartialMolar<>
getters are used to obtain partial molar properties.ThermoPhase
method that is not implementedOne caveat is that this approach has limitations for
intEnergy_mole
andcv_mole
. These properties are implemented differently as they are largely based on simplified thermodynamic relationships rather than summations. Interestingly, an attempt to baseintEnergy_mole
ongetPartialMolarIntEnergies
causes failures in the zeroD module, albeit only on windows and sundials runners.Checklist
scons build
&scons test
) and unit tests address code coverage