How can I get the rate of production of all elementary reactions?

[Alex-jian522]

Hi everyone, I used a chemical reaction mechanism with 25 species and 110 reactions. How can I get the rate of reactions of all 110 elementary reactions? Thank you very much for your answer

[baperry2]

A similar question was answered here: AMReX-Combustion/PelePhysics#511 (comment)

[Alex-jian522]

Thanks a lot. I will try to use Cantera.

Another question is, you mentioned in your answer that Cantera needs pressure to calculate the rate of reactions, but the only variable saved is avg_pressure and the value is very small (as shown in the figure). Is the value of avg_pressure here the absolute deviation from the 1atm pressure I set?

[baperry2]

Yeah, avg_pressure is the perturbational pressure. The thermodynamic pressure that you would give to Cantera is nominally the 1 atm that you set, though it might be a bit more accurate to use the RhoRT variable. RhoRT is the actual thermodynamic pressure, which may deviate slightly from the nominal value if your SDC iterations have not converged.

[Alex-jian522]

Thank you very much for your clear and accurate reply.
I noticed that I saved the actual thermodynamic pressure RhoRT, but I didn't realize what it meant before. Therefore, I will use RhoRT in Cantera