CO formation in early stage high temperature benzene oxidation under fuel lean conditions: Kinetics of the initiation reaction, C6H6→C6H5→H

D. S.Y. Hsu*, C. Y. Lin, Ming-Chang Lin

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

The oxidation of benzene under fuel-lean conditions has been studied from 1600 to 2300 K in a shock tube using a stabilized CW CO laser to monitor CO production. The result of the kinetic modeling of the CO formation according to the global mechanism of Fujii and Asaba indicates that the rate of CO formation in the early stage of oxidatin depends very sensitively on the rate-limiting unimolecular decomposition of benzene:. C6 H6 over(→, 1) C6 H5 + H. The rate constant obtained for the initiation reaction using a scheme consisting of a set of 25 reactions is given by the following expression: k1=1015.70±0.52 exp (-54, 300±2200/T) sec-1. for the pressure range of 1.9-2.7 atm. The result of an RRKM calculation for the reaction indicated that at temperatures above 2000 K, k1 becomes slightly pressure-dependent. The extrapolation of the individual data with the RRKM theory led to k1{all equal to}1016.76±0.50exp (-58,400 ± 2200/T) sec-1.

Original languageEnglish
Pages (from-to)623-630
Number of pages8
JournalSymposium (International) on Combustion
Volume20
Issue number1
DOIs
StatePublished - 1 Jan 1985

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