How to obtain the species production rate for each reaction?

[nxkr...@gmail.com]

Hi Cantera Community,

I am trying to obtain the rate of production (ROP) of each species for all reactions (instead of the total ROP) with Cantera. I am using the Python version 2.5.1.

I searched through the official documentation and I was able to generate the net rate of production, but could not find any information on obtaining the species ROP for individual reactions. Is this something that can be done or if this has been already covered, directions to the same would be grateful. A MWE is attached.

Thank you.

Regards,

George

[Ingmar Schoegl]

Hi George,

While (I believe) there isn't a direct way, you can use gas.set_multipliers to probe individual reactions. E.g.

gas.set_multipiers(0)

gas.set_multipliers(1., rxn_idx) # index of reaction

and run this over all reactions. Hope this helps,

-ingmar-

[Bryan Weber]

Hi George,

Cantera has a "net_rates_of_progress" attribute, which, when multiplied by the stoichiometric difference between reactants and products, will give you the net ROP per reaction.

Best,
Bryan

[nxkr...@gmail.com]

Thanks for the explanation, Ingmar and Bryan. If I understood Ingmar's approach, we are basically disabling all the reactions and enabling individual reactions to obtain the species ROP.

Both approaches work;  thank you for the suggestions.

--G