J. Revel et al., DERIVATION OF A GLOBAL CHEMICAL KINETIC MECHANISM FOR METHANE IGNITION AND COMBUSTION, Journal de chimie physique et de physico-chimie biologique, 91(4), 1994, pp. 365-382
A new method for the reduction of chemical kinetic detailed mechanisms
is presented. It is based on atomic fluxes calculations and reaction
pathways analyses. The method was applied to a CH4/O2/N2 comprehensive
combustion mechanism, including NO(X) reactions, previously validated
for several types of experiments (flow reactors, shock tubes, laminar
flames). A global mechanism for methane combustion and NO formation h
as been elaborated involving 6 chemical reactions among 10 species. Th
is mechanism is able to reproduce accurately the ignition delays, temp
erature profiles and concentration profiles of major species and NO ov
er a wide range of experimental conditions (P = 1 atm, 60% less-than-o
r-equal-to N2 less-than-or-equal-to 80%, 0.2 less-than-or-equal-to phi
less-than-or-equal-to 2.2 and 900 K less-than-or-equal-to T(initial)
less-than-or-equal-to 1500 K).