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

Title: Rate constants for hydrogen abstraction reactions by the hydroperoxyl radical from methanol, ethenol, acetaldehyde, toluene and phenol
Creator: Altarawneh, M.; Dlugogorski, B. Z.; Kennedy, E. M.; Mackie, J. C.
Relation: Australian Combustion Symposium 2009. Proceedings of the Australian Combustion Symposium 2009 (Brisbane, Qld 2-4 December, 2009) p. 115-118
Relation: http://www.mech.uq.edu.au/conferences/ACS2009
Publisher: School of Mechanical and Mining Engineering, University of Queensland
Resource Type: conference paper
Date: 2009
Description: 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.
Subject: H0₂ radicals; toluene; acetaldehyde; TST
Identifier: uon:9026
Identifier: http://hdl.handle.net/1959.13/919942
Identifier: ISBN:9781864999802
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