how to implement non-Arrhenius reaction rate

tiddlycorona · June 24, 2010, 19:03

Hi,

I wonder how can I implement non-Arrhenius form reaction rate

?

For example, the reaction rate of M+N->P+Q is expressed as k=A*f(T), in which T is temperature, and f is an arbitrary function.

Thanks for your help.

smehdi609 · June 25, 2010, 15:35

If it's not an Arrhenius type, then you cannot write it in Chemkin format. Thus, it's not possible to use a Chemkin reader. You should write your own code to calculate the reaction rates. You can still use Chemkin for your thermodynamic model.

mkhm · January 12, 2018, 06:25

Hello Hans,

I have the same question. Did you find an answer to your question ?
In openFoam, we have three parameters A, beta and Ta which are parameters used to describe a rate coefficient following Arrehnius type reactions. I am wondering if we should change source codes (new solver) in OF in order to be able to use non-arrhenius type rate coefficients.

Best regards

June 24, 2010, 19:03	how to implement non-Arrhenius reaction rate	#1
tiddlycorona New Member Hans Join Date: Jun 2010 Posts: 2 Rep Power: 0	Hi, I wonder how can I implement non-Arrhenius form reaction rate? For example, the reaction rate of M+N->P+Q is expressed as k=A*f(T), in which T is temperature, and f is an arbitrary function. Thanks for your help.

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June 25, 2010, 15:35		#2
smehdi609 Member M. Mahdi Salehi Join Date: Mar 2009 Location: Vancouver, BC, Canada Posts: 50 Rep Power: 17	If it's not an Arrhenius type, then you cannot write it in Chemkin format. Thus, it's not possible to use a Chemkin reader. You should write your own code to calculate the reaction rates. You can still use Chemkin for your thermodynamic model.

January 12, 2018, 06:25		#3
mkhm Member K Join Date: Jul 2017 Posts: 97 Rep Power: 8	Hello Hans, I have the same question. Did you find an answer to your question ? In openFoam, we have three parameters A, beta and Ta which are parameters used to describe a rate coefficient following Arrehnius type reactions. I am wondering if we should change source codes (new solver) in OF in order to be able to use non-arrhenius type rate coefficients. Best regards