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Marc Segovia November 16, 2001 18:25

Finite rate chemical reactions

I am new in CFD, and in a few weeks I would use STAR CD software, one of my main applications is chemical reactors simulations. Could someone give advice or references about finite rate chemical reactions. How CHEMKIN could help with this ? I would be grateful, thanks in advance by your help.


Daniel November 27, 2001 04:16

Re: Finite rate chemical reactions
It depends if your reactor is chemistry or turbulence controlled - in the latter case you should use the PPDF or Eddy-Breakup combustion models that come with prostar. The former case, however, is more complicated, since prostar allows only for 6 irreversible reactions. If you need more, you have to write your own user subroutines which complicate matters in many respects.

regards, Daniel

Marc Segovia November 27, 2001 16:52

Re: Finite rate chemical reactions
Thank you , Daniel by your answer. Initially I am thinking chemical controlled reactions, do you have some experience in this case (using user routines). Do you know if ChemKin made this approach easy ? Best Regards. Marc

Daniel November 28, 2001 04:21

Re: Finite rate chemical reactions
Yes, I am using user routines (see my posted question above) with some difficulties. I know Adapco and Reaction Design (the developers of chemkin) are working on an easy interface between the two, and even saw an article that used the beta version of this software, which, unfortunately I have not seen myself. However, since the user routines are written in FORTRAN, it should be possible to call chemkin subroutines there if you have the open code of the latter.

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