Reverse reaction (super-elastic) electron collision reaction#1854
Reverse reaction (super-elastic) electron collision reaction#1854ischoegl merged 10 commits intoCantera:mainfrom
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Codecov ReportAttention: Patch coverage is
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## main #1854 +/- ##
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Coverage 74.13% 74.13%
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Files 443 443
Lines 55400 55423 +23
Branches 9107 9114 +7
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+ Hits 41069 41089 +20
Misses 11241 11241
- Partials 3090 3093 +3 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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BangShiuh
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speth
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Thanks, @BangShiuh, I think this looks good, and seems like a reasonable time to merge in my implementation of ReactionRate.modifyRateConstants. While this had originally been done with electrochemical rate parameterizations in mind, I'm glad to see that it's general enough to be useful here as well. I have just a couple of minor cleanup suggestions.
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@speth Thank you for the code review. The issues have been fixed. |
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@ischoegl - Since this incorporates an extension of the |
| */ | ||
| virtual bool isReversible(size_t i) { | ||
| throw NotImplementedError("Kinetics::isReversible"); | ||
| return std::find(m_revindex.begin(), m_revindex.end(), i) < m_revindex.end(); |
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I believe this won't need to be virtual any longer, correct?
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Correct, and it should be const as well.
This should enable a clean implementation of the Butler-Volmer and Marcus forms of electrochemical reactions.
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Changes proposed in this pull request
The reverse reaction rate of electron collision reaction is added. The reverse rate is calculated super-elastic formula. In the test, a reversible elastic reaction is used for testing purpose only. The reverse rate is the same as the forward rate if the threshold energy is zero.
If applicable, fill in the issue number this pull request is fixing
Cantera/enhancements#192
If applicable, provide an example illustrating new features this pull request is introducing
Checklist
scons build&scons test) and unit tests address code coverage