A new domain ConstantTVGasDomain#258
A new domain ConstantTVGasDomain#258donerancl wants to merge 10 commits intoReactionMechanismGenerator:mainfrom
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- Coverage 48.71% 47.78% -0.94%
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Lines 8313 8475 +162
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…ConstantT to prevent kH and kLA being extrapolated to negative values
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I found a small bug in the rops function that we could include in this PR. In |
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Thanks for the PR! I see that the test is failing with Could you take a look into it? |
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@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.