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rmgpy.kinetics.surface.pyx needs its own to_cantera_kinetics() implementation #2573

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sevyharris opened this issue Nov 6, 2023 · 1 comment · Fixed by #2514
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rmgpy.kinetics.surface.pyx needs its own to_cantera_kinetics() implementation #2573

sevyharris opened this issue Nov 6, 2023 · 1 comment · Fixed by #2514

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@sevyharris
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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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github-actions bot commented Feb 5, 2024

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.

@github-actions github-actions bot added the stale stale issue/PR as determined by actions bot label Feb 5, 2024
@github-actions github-actions bot added the abandoned abandoned issue/PR as determined by actions bot label Mar 6, 2024
@github-actions github-actions bot closed this as not planned Won't fix, can't repro, duplicate, stale Mar 6, 2024
@JacksonBurns JacksonBurns removed stale stale issue/PR as determined by actions bot abandoned abandoned issue/PR as determined by actions bot labels Mar 6, 2024
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