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

CECR Research:

Six-Step Reduced Mechanism

The following six-step mechanism can be used to model nonpremixed burning of methane with air with the production and consumption of NO. (Other nitrogen-containing species are not necessarily modeled accurately with this mechanism; see the 11-step mechanism.)

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

I have included several segments of Fortran 77 and C++ code (should be ANSI C compatible) 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.

The following two files will be useful to Chemkin users:

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