GRI-MECH: An optimized detailed chemical reaction mechanism for methane combustion. Topical report, September 1992-August 1995

Abstract

A quantitative representation of the detailed chemical reaction mechanism of natural gas combustion is required in order to provide design tools for more efficient and less polluting natural-gas combustion devices. In the research described in this report, a reaction model for methane combustion was optimized based upon critical review of the thermochemical and rate coefficient information in the literature, sensitivity analysis using computer modeling methods, and mathematically rigorous parameter optimization employing the response-surface parameterization method. The computational study was supported by appropriate shock-tube and flame profiling experiments. The resulting reaction model, consisting of 177 reactions of 32 species, was validated by extensive comparisons with the literature.