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Update atom enthalpies for H, C, N, O, F, Cl, Br, I with data from ATcT

Open cgrambow opened this issue 5 years ago • 0 comments

I'm going to get this PR going. I used updated data from ATcT. Some things I noticed:

  • The previous data for Br was horribly wrong. New data should be double-checked.
  • ATcT do not have S data. Where do we get this from? I double-checked that S corresponds to the data in NIST-JANAF.
  • Are there new sources for the other atoms/elements?

@dranasinghe, I assigned you to this PR. None of the existing BACs have been corrected yet based on the updated data.

Let's discuss.

RMG-Py PR: ReactionMechanismGenerator/RMG-Py#1955

cgrambow avatar May 15 '20 21:05 cgrambow