ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
Surface CPOX_Pt/Deutschmann2006 kinetics library is missing coverage-dependent effects
@ChrisBNEU is already working on this.
Since Mar 4, 2021.
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Description
The paper (and chemkin file) includes coverage-dependent rate expressions.
RMG cannot currently handle these, so they are omitted.
kinetics/libraries/Surface/CPOX_Pt/Deutschmann2006
I'm not sure if any of these effects are big enough to matter, or if there's any way to temporarily account for some that might matter (eg assume a coverage and calculate the new effective rate), but I wanted to at least make a note here so we can go back and fix them once RMG can do coverage-dependencies!
(even if we can't predict them easily, it might be nice to at least pass them though so if they're in a seed mechanism or reaction library they end up in the chemkin file fro RMG)
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