Detailed analysis of photochemical oxidation of benzene in the atmosphere: Benzene + OH and the benzene-OH adduct (hydroxyl-2,4-cyclohexadienyl) + O{sub 2}

Conference · Sun Dec 31 04:00:00 EST 1995

OSTI ID:215104

Lay, T H; Bozzeli, J W ^[1]

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1. New Jersey Institute of Technology, Newark, NJ (United States)

The reversible reaction of OH radical addition to benzene, formation of the hydroxyl-2,4-cyclohexadienyl (benzene-OH) adduct, and the subsequent reactions of the benzene-OH adduct with O{sub 2} are important initial steps of benzene oxidation in the atmosphere. The OH addition and the reaction of O{sub 2} with the benzene-OH adduct to form hydroxyl-2-peroxy-4-cyclohexenyl (benzene-OH-O{sub 2} adduct), are chemically activated reactions and are functions of both pressure and temperature. We evaluate the kinetics of these reaction systems at various pressure and temperature using a quantum version of Rice-Ramsperger-Kassel theory (QRRK) for k(E) and a modified strong collision approach for fall off.

• OSTI ID: 215104
• Report Number(s): CONF-950801--
• Country of Publication: United States
• Language: English

Related Subjects

54 ENVIRONMENTAL SCIENCES
ADDUCTS
ATMOSPHERIC CHEMISTRY
BENZENE
HYDROXYL RADICALS
OXIDATION
PHOTOCHEMICAL REACTIONS
PRESSURE DEPENDENCE
REACTION INTERMEDIATES
TEMPERATURE DEPENDENCE