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Temperature divergence in modelling catalytic surface reaction using imported CHEMKIN mechanism

    • ZoeYuan
      Subscriber

      Hi,


      I am modelling catalytic surface reaction using imported CHEMKIN mechanism in a single-channel model via ANSYS Fluent. However, the model doesn't converge at all and shows error message as below. I don't quite understand what cause the 'Invalid cp (000000e+00 J/kgK) for chemkin-import at temperature 1.#QNAN0 K' in the error message, because I have checked the thermodynamic data file and it looks alright. Can anyone tell me what causes this issue please? 




      The CHEMKIN mechanism describes elementary reactions of C3H6, CO oxidation and NO reduction over a Pt/Rh catalyst, and the mechanism was obtained from following website: https://www.detchem.com/mechanisms. I imported the mechanism and related thermodynamic data file into Fluent according to the steps listed in User's Manual and the mechanism was successfully imported as shown below. 



      For the reference, I chose pressure-based solver and transient simulation. The energy model and species transport model was switched on, and the flow was assumed to be laminar. 


      Many thanks,


      Zoe

    • Eason_23
      Subscriber
      What's your version of Ansys?n
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