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Temkin-Pyzhev Type Reaction Rate using reactingFoam

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Old   January 22, 2025, 12:21
Default Temkin-Pyzhev Type Reaction Rate using reactingFoam
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Ege Köseoglu
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Hello dear Foamers,


The usual disclaimer: if I oversaw a same or similar thread I'm very sorry but I searched for it.


So, I am trying to define the ammonia decomposition reaction using reactingFoam as solver. The reaction goes likes this:


2 NH3 => 3 H2 + N2


while the rate equation can be given as:


r_NH3,m = k_m * c_NH3^(a) * c_H2^(b)


k_m = k_m,0 * e^(-E_A / R / T)


We are using irreversibleArrheniusReaction as reaction type and I am aware that the reaction orders can be defined using "^" next to the educts.


However, we require the hydrogen concentration to be included in the rate equation (which is a product) and with a negative order. Furthermore we require the rate to be limited when approaching the thermodynamical equilibrium.


Is there a simple way, perhaps a tutorial case we have not checked out, to do this?


I would have thought that, since it exists for so long, the Temkin-Pyzhev rate equation to have made it's way into the OpenFoam universe, but found nothing of significant relation in the web.


Thanks
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Old   January 22, 2025, 14:26
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Domenico Lahaye
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Not sure.

Does it suffices here to

1/ first find the reaction mechanism in the chemkin format

2/ subsequently apply chemkinToFoam (see reactingFoam tutorials) ?
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