CECR Research: Reduced Mechanisms for Methane-Air Flames including NOx Chemistry

CECR Research:

Eleven-Step Reduced Mechanism

The following eleven-step mechanism can be used to model nonpremixed burning of methane with air and the relevant nitrogen chemistry.

Number	Global Reaction
I	CH4 + 2 H + H2O -> 4H2 + CO
II	H2O + CO -> H2 + CO2
III	2 H -> H2
IV	O2 + 3 H2 -> 2 H2O + 2 H
V	H2 + 2 CO -> C2H2 + O2
VI	N2 + O2 -> 2 NO
VII	3 H2 + CO + NO -> HCN + 2 H2O + H
VIII	H + H2O + CO + NO -> HNCO + O2 + H2
IX	NH3 + H + H2O -> NO + 3 H2
X	N2 + H2O -> N2O + H2
XI	NO + 2 H2 + O2 -> NO2 + H2O + 2 H

I have included several segments of Fortran 77 and C++ code which should make it easier to implement these reduced mechanisms in conjunction with whichever flame code you use. There are

Header files for C++ and Fortran.
Steady-state relations in C++ and Fortran.
Subroutines to compute production rates and other miscellaneous routines in C++ and Fortran.

Thanks to Prof. J.-Y. Chen of UC Berkeley for the following two files which should make it simple for Chemkin users to use this mechanism.

If you find any errors or omissions in the above code, please let me know. I have put the above code together by extracting snippets from my own code, but I am not really able to test these pieces to see if they are complete or to see if there were any errors in my cut-and-paste operations.
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International Workshop on Measurement and Computation of Turbulent Nonpremixed Flames
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email: jhewson@ames.ucsd.edu
J. Hewson