Choice of species in prePDF
I'm trying to model a combustion system of kerosene (C12H23) with prePDF using the equilibrium chemistry approach.
My problem is that I follow the guidelines on choosing species of the user's manual, and one of them says "For hydrocarbon combustion systems, it is recommended that you include C(S) and H_2O(L)."
I find a big difference depending on whether I include C(s) or not. When I include it, I get a high value for the mass fraction of C(s) in the rich limit (0.4 !), but I don't get lighter hydrocarbons (apart from CH4).
If I remove C(s) from the list, I get a much more "interesting" description of the system, with formation of CH4, C5H6, C2H4, C2H6, etc.
Here is the problem: my lack of knowledge about this processes. My questions are:
a) Do you think that the mass fraction of C(s) I get is too high?
b) Is my second choice really more "interesting" ? or is it better to get an equivalent description of the system with a smaller number of species? ; and in that case, how can I test that equivalence?
Thanks a lot,
Re: Choice of species in prePDF
I do not include C(s) in the species list; there is usually not enough time in a flame for solid C to equilibrate.
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