K. Brezinsky
Dec 23, 1986
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Influential Citations
128
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Journal
Progress in Energy and Combustion Science
Abstract
Abstract Chemical mechanisms of the atmospheric pressure, high-temperature (875–1500K) gas-phase oxidation of benzene, toluene, ethylbenzene and propylbenzene are described and discussed in detail. Major oxidation trends evident from turbulent flow reactor experiments serve as the basis for the overall mechanisms of the oxidation of benzene and alkylated aromatics which are also presented. The potential effects of very high temperatures and pressures on the chemistry of oxidation of aromatics are described. The oxidation of benzene and phenyl radical has been found to proceed in a stepwise C 1 C 5 C 4 sequence. Species profiles obtained from flow-reactor experiments suggest that the oxidation of benzene and phenyl radical follows the generalized route-phenoxy, cyclopentadienyl and butadienyl radical. The oxidation of the C 4 species branches into multiple pathways that yield copious amounts of ethylene and acetylene. The alkylated aromatics are oxidized through a large number of reaction pathways. However, certain major trends are evident: the alkylated aromatics on initial attack either form styrene, benzyl radical or benzene. The styrene reacts further to produce a benzyl radical or benzene.In general, the oxidation of an alkalated aromatic hydrocarbon appears eventually to reduce to the oxidation of either phenyl radical or benzene.