Non-stoichiometric reaction order issues #287
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This might be a better discussion for PelePhysics but in any event @nickwimer and @malihass might have some thoughts. |
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Tried running this in debug and with Probably a species is getting a small negative value due diffusion/advection, and then the fractional exponent breaks. For FORD reactions we'll need to add clipping somewhere - perhaps directly where the fractional exponents are computed in the CEPTR-generated code. |
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Hi all,
I have been studying various mechanisms, and recently have been taking a look at the Westbrook and Dryer two-step mechanism, as well as the Jones and Lindstedt four-step mechanism. Both mechanisms are currently supported by PelePhysics and come with the base installation of the Pele-suite codes. However, when using these mechanisms on the backward facing step base case of PeleLMeX, the chemical integrator gives bad results almost immediately. I have tried both ReactorCvode and ReactorRK64 to no avail, compiling with GNU. Does anyone have any experience running these mechanisms?
Thank you in advance for your help.
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