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The reaction of atomic oxygen with ethylene is a fundamental oxidation step in combustion. Since it involves an intersystem crossing from a triplet surface to a singlet surface it requires special treatment. Data taken from http://dx.doi.org/10.1016/j.proci.2016.06.053
amarkpayne
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Oct 18, 2017
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I checked the numbers, and everything checks out. The changes to the docstring look good as well. I was able to run the minimal model using this library as well, so everything checks out. Feel free to merge when you're ready.
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@mliu49, can you merge this pull request? |
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This PR adds the C2H4+O_Klipp2017 kinetic library.
The reaction of atomic oxygen with ethylene is a fundamental oxidation
step in combustion. Since it involves an intersystem crossing from a
triplet surface to a singlet surface it requires special treatment.
Data taken from http://dx.doi.org/10.1016/j.proci.2016.06.053