Reaction types inconsistencies

[Mahmoud Gadalla]

Hi,

I am using Cantera 3.0.1 and when loading and operating on YAML mechanism, I realized some reactions are stored with reaction_type of three-body-Arrhenius although they are noted in the YAML file as just simple Arrhenius. I wonder if this is a bug or there is something that I am missing ?

Attached is simple script to explain my issue clearer. Thank you in advance for support!!

Please note that the mech.yaml was originally a CTI legacy format that was converted to YAML through the cti2yaml module of Cantera 3.0.1 and the mechanism info is identical to the CTI file. 

Regards,

Mahmoud

[Ingmar Schoegl]

Dear Mahmoud,

Based on the output of your code,

2 H + M <=> H2 + M
three-body-Arrhenius
2 H + H2 <=> H2 + H2
three-body-Arrhenius

you can easily see that both reactions have a non-reacting collision partner on both sides ('M' is arbitrary, whereas 'H2' is not). For more context of when Cantera implemented automatic detection of three-body-Arrhenius reactions, see Cantera/cantera#1251 and issues/PR's referenced therein.

-ingmar-

[Mahmoud Gadalla]

Thanks so much, Ingmar, for the explanation!!

Regards,

Mahmoud

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