Use the definition of kH_i = Pgas_i/Cliq_i

[hwpang]

Previously I wrote the equation to use the definition of kH_i = Cgas_i/Cliq_i. There are many definitions of kH out there, usually a combination of Cgas_i, xgas_i, Pgas_i, Cliq_i, and xliq_i. I had a PR to change the definition of kH estimated by RMG into Pgas_i/Cliq_i (https://github.com/ReactionMechanismGenerator/RMG-Py/pull/2389). This definition is better in terms of Jacobian sparsity than the definition of Pgas_i/xliq_i, because the latter requires Cliqtot = sum(Cliq) during the computation of fluxes. I believe that this new definition is much more beneficial in the sense of simulation.

[mjohnson541]

It looks like there's an issue with one of the reaction simulation tests comparing to past simulation results.

[hwpang]

The test failed because the kH in the old mechanism files aren't using the definition of kH_i = Pgas_i/Cliq_i. I use RMG to re-estimate the parameters in the old mechanism file and update them.

[codecov[bot]]

Codecov Report

Merging #204 (27fde69) into main (1ccd7fe) will not change coverage. The diff coverage is 100.00%.

@@           Coverage Diff           @@
##             main     #204   +/-   ##
=======================================
  Coverage   48.73%   48.73%           
=======================================
  Files          31       31           
  Lines        7567     7567           
=======================================
  Hits         3688     3688           
  Misses       3879     3879           

Impacted Files	Coverage Δ
src/TestReactors.jl	100.00% <ø> (ø)
src/Interface.jl	88.71% <100.00%> (ø)

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