BRIEF DESCRIPTION

527 reactions and 99 chemical species

This reaction mechanism can be used for oxidation of methane, ethane, ethylene and acetylene at flame temperatures. Aromatic chemistry is included up to the formation of pyrene. It is based on GRI-Mech 1.2 and a consistent set of rate coefficients, thermodynamic data, and transport data for reactions of aromatics developed by Wang and Frenklach. The mechanism is tested against a number of literature laminar premixed flames of acetylene and ethylene.

GETTING THE FILES

The following files can be loaded into your computer:

wf_mech.dat A reaction mechanism and rate coefficient file, in Chemkin format
wf_thermo.dat A thermochemical data file to be used with the wf_mech.dat file, as NASA polynomial coefficients
wf_transport.dat A file containing the parameters needed for calculating transport coefficients to be used in the Sandia flame code

REFERENCE

Hai Wang and Michael Frenklach, 'A Detailed Kinetic Modeling Study of Aromatics Formation in Laminar Premixed Acetylene and Ethylene Flames,' Combustion and Flame 110, 173-221 (1997).

PERFORMANCE THAT WE KNOW ABOUT

This mechanism predicts well the major, minor, and small-aromatic species but underpredicts two-, three-, and four-ring aromatics. The newer mechanism listed at this site, (that of Appel, Bockhorn and Frenklach) improves on this part.

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