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Rate constants for hydrogen abstraction reactions by the hydroperoxyl radical from methanol, ethenol, acetaldehyde, toluene and phenol

Altarawneh, M., Mackie, J.C., Kennedy, E.M. and Dlugogorski, B.Z. (2009) Rate constants for hydrogen abstraction reactions by the hydroperoxyl radical from methanol, ethenol, acetaldehyde, toluene and phenol. In: Proceedings of the Australian Combustion Symposium, 2 - 4 December, Brisbane, Qld, Australia pp. 61-65.

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Abstract

An important step in the initial oxidation of hydrocarbons is the abstraction of H by hydroperoxyl radical (H02). In this study, reaction rate constants are derived for H abstraction by H02 from the weakest H bond in methanol, ethenol, acetaldehyde, toluene and phenol. Rate constants are provided in the simple Arrhenius form. Reasonable agreement was obtained with the limited literature data available for acetaldehyde and toluene. For the case of phenol, direct abstraction of the hydroxyl H was found to dominate over H02 addition to the ring. The results presented herein should be useful in modelling the lower temperature oxidation of the five compounds considered.

Publication Type: Conference Paper
Publisher: School of Mechanical and Mining Engineering, University of Queensland
URI: http://researchrepository.murdoch.edu.au/id/eprint/22869
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