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A new domain ConstantTVGasDomain #258
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A new domain ConstantTVGasDomain #258
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Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #258 +/- ##
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- Coverage 48.71% 47.78% -0.94%
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Files 31 31
Lines 8313 8475 +162
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Hits 4050 4050
- Misses 4263 4425 +162 ☔ View full report in Codecov by Sentry. |
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…ConstantT to prevent kH and kLA being extrapolated to negative values
I found a small bug in the rops function that we could include in this PR. In |
Thanks for the PR! I see that the test is failing with
Could you take a look into it? |
@hwpang Just saw this and took a look. The temperature (298 K) for the test was below the range used to extrapolate kH and kLA, so my branch calculated the values of kH(T) and kLA(T) at the lowest temperature in the given range (350 K), making the results different. We could allow extrapolation if the kLA and kH values are not negative. It is probably alright in this case I would think. |
I made a new domain for constant temperature, constant volume gas. The pressure is calculated from the number of moles as simulation progresses.
I have used it in a simulation with a vapor liquid interface with no issues.