Trouble Reproducing Kerosene-Air Constant-Pressure Homogeneous Reactor Results

[Youngjin Jun]

Hello everyone,

I'm not sure if this is the right place to ask, but I'm currently stuck and would appreciate any help.

I'm trying to reproduce the constant-pressure homogeneous reactor results for a kerosene/air mixture, as shown on the CERFACS website. Specifically, I'm referring to the dataset titled "Constant Pressure reactor at 1200K - 1 atm - Phi = 1", available here:
https://www.cerfacs.fr/cantera/mechanisms/kero.php#bfer

I'm using the global mechanism provided on the same page. However, in my Cantera simulation, the temperature remains constant at the initial value, and no reaction seems to occur. The same code setup has worked fine with other mechanisms, so I'm unsure what's going wrong in this case.

Additionally, I noticed that the CERFACS article mentions the use of COSILAB for these calculations. Could differences between COSILAB and Cantera impact the results for this type of reactor setup?

My system: Python version 3.10; Cantera version 3.1.0

Thanks in advance for any insights or suggestions!

[Ray Speth]

Hi,

It appears you have a typo in the input file with the syntax for specifying the reaction orders. The key order should be orders. With this typo, the reaction is treated as a very high order reaction that has a very small rate constant. That is,

- equation: KERO + 10 O2 => 10 CO + 10 H2O rate-constant: {A: 0.8e+12, b: 0, Ea: 41500} order: {KERO: 0.55, O2: 0.9}

should be

- equation: KERO + 10 O2 => 10 CO + 10 H2O rate-constant: {A: 0.8e+12, b: 0, Ea: 41500} orders: {KERO: 0.55, O2: 0.9}

Regards,
Ray

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[Youngjin Jun]

Hello, Ray.

The problem is solved by fixing the typo.

Thank you very much.