Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/8025
Title: A theoretical kinetics study of the reactions of methylbutanoate with hydrogen and hydroxyl radicals
Authors: Zhang, L
Chen, Q
Zhang, P 
Keywords: Chemical kinetics
Hydrogen radical
Hydroxyl radical
Methylbutanoate
Transition state theory
Issue Date: 2015
Publisher: Elsevier Ltd
Source: Proceedings of the Combustion Institute, 2015, v. 35, no. 1, p. 481-489 How to cite?
Journal: Proceedings of the Combustion Institute 
Abstract: The chemical kinetics for the reactions of methylbutanoate (MB) with hydrogen and hydroxyl radicals were studied theoretically with the ab initio transition state theory. In addition to the hydrogen abstraction reactions of MB by the radicals, the potential energy surfaces of MB + H and MB + OH were further investigated to search for additional significant hydrogen addition channels, which are followed by £]-scission reactions to produce non-hydrogen and non-water products, respectively.
URI: http://hdl.handle.net/10397/8025
ISSN: 1540-7489
DOI: 10.1016/j.proci.2014.05.117
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