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rmgpy.kinetics.surface.pyx needs its own to_cantera_kinetics() implementation #2573
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This issue is being automatically marked as stale because it has not received any interaction in the last 90 days. Please leave a comment if this is still a relevant issue, otherwise it will automatically be closed in 30 days. |
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Motivation or Problem
There are some cases where we would like to convert from a SurfaceArrhenius kinetics object to Cantera kinetics, but the to_cantera_kinetics() function doesn't work because the units are different.
Specifically, the rmgpy.tools.canteramodel.py could use this function for loading surface models in Cantera.
See the CanteraModel.load_model() method around line 300.
I came across this while working on #2514
Desired Solution
We should implement the to_cantera function for all of the surface kinetics objects, which should just be a matter of copying the function from the regular gas-phase version and changing the acceptable units.
Potential Alternatives
I've already found a workaround for the canteraModel problem for regression testing, but it's very inconsistent to have a piece of the kinetics object working for gas phase and not surface phase.
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