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The high-temperature oxidation of aromatic hydrocarbonsChemical mechanisms of the atmospheric pressure, high-temperature (875-1500 K) gas-phase oxidation of benzene, toluene, ethylbenzene, and propylbenzene are described and discussed. Oxidation trends evident from turbulent flow reactor experiments serve as the basis for the mechanisms of the oxidation of benzene and alkylated aromatics. 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 C6-C5-C4 sequence. Species profiles obtained from flow-reactor experiments suggest that the oxidation of benzene and phenyl radical follows the generalized route via phenoxy, cyclopentadienyl and butadienyl radical. The oxidation of the C4 species branches into multiple pathways that yield copious amounts of ethylene and acetylene. 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. The oxidation of an alkylated aromatic hydrocarbon appears eventually to reduce to the oxidation of either phenyl radical or benzene.
Document ID
19860056096
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Brezinsky, K.
(Princeton University NJ, United States)
Date Acquired
August 12, 2013
Publication Date
January 1, 1986
Publication Information
Publication: Progress in Energy and Combustion Science
Volume: 12
Issue: 1 19
ISSN: 0360-1285
Subject Category
Inorganic And Physical Chemistry
Accession Number
86A40834
Funding Number(s)
CONTRACT_GRANT: F49620-82-K-0011
CONTRACT_GRANT: NAG3-310
Distribution Limits
Public
Copyright
Other

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