Toluene combustion: Reaction paths, thermochemical properties, and kinetics analysis for the methylphenyl radical + [O.sub.2] reaction

Thermochemical and kinetic parameters are calculated for reaction of the methylphenyl radical with [O.sub.2] to improve kinetic mechanisms describing the combustion of toluene, an important fuel component. The results suggest that the dominant reaction products in the chemically activated methylphenyl +[O.sub.2] systems are the radicals formed upon ring opening.