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ReactionMechanismGenerator / RMG-Py

Python version of the amazing Reaction Mechanism Generator (RMG).
http://reactionmechanismgenerator.github.io/RMG-Py/
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Confirming reference pressure is 1 bar in RMG and CanTherm? #827

Closed rwest closed 1 year ago

rwest commented 7 years ago

The question came up in Cantera development as to what reference state pressure is used for common/typical/all reaction mechanisms. (See issue https://github.com/Cantera/cantera/issues/336)

For thermochemistry estimated by RMG or calculated by CanTherm I assume that the reference pressure used in the standard state is 1 bar (100000 Pa), but can anyone confirm this?

I found a line here which implies that when @jwallen wrote code to convert from Ka (from ∆G) to Kc or Kp in https://github.com/ReactionMechanismGenerator/RMG-Py/commit/7ebe8671f37c99929bf849e3ed2ccf462eee66d6 he assumed the reference state for the ∆G was 1e5 Pa. I would guess he used the same reference state when writing CanTherm, but with a cursory search I couldn't prove it to myself.

c.c. @jwallen @speth

github-actions[bot] commented 1 year ago

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