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Incorrect pre-exponential factor for 2nd reaction 'R2' in page 187 of UG (2 eq W-D mech) #13750

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marcosvanella opened this issue Nov 13, 2024 · 1 comment

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marcosvanella commented Nov 13, 2024

Following the Andersen reference, Table 4 in:

https://pubs.acs.org/doi/epdf/10.1021/ef8003619?ref=article_openPDF

seems the value of A for the CO reaction should be A=3.98e8 instead of 1.5e9.

Am I missing something?

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rmcdermo commented Nov 13, 2024

I think the one we used is tuned because we use a fast first reaction instead of an Arrhenius rate there. But double check me.

mcgratta assigned cxp484

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