Chemical kinetic study of toluene oxidation

Document Type

Conference Proceeding

Publication Date

12-1-2002

Abstract

The chemical-kinetic mechanism of combustion of toluene was studied. A detailed chemical-kinetic mechanism for toluene was improved by adding a more accurate description of the phenyl + O2 reaction channels, toluene decomposition reactions, and the benzyl + O reaction. Numerical calculations were performed using the chemical kinetic mechanism at conditions corresponding to those in the experiments. For both premixed and nonpremixed systems, sensitivity analysis was used to identify the reaction rate constants that control the overall rate of oxidation in each of the systems considered. Under shock tube conditions, the reactions that influence ignition delay time were H + O2 chain branching, the toluene decomposition reaction to give an H atom, and the toluene + H abstraction reaction. The reactions that influence autoignition in nonpremixed systems involved the benzyl + HO2 reaction and the phenyl + O2 reaction. Original is an abstract.

Identifier

0036942381 (Scopus)

Publication Title

International Symposium on Combustion Abstracts of Works in Progress Posters

First Page

241

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