The rate constant for the CO + H2O2 reaction

Publication: Research - peer-reviewJournal article – Annual report year: 2009

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The rate constant for the reaction CO + H2O2 -> HOCO + OH (R1) at 713 K is determined based on the batch reactor experiments of Baldwin et al. [ R. R. Baldwin, R. W. Walker, S. J. Webster, Combust. Flame 15 (1970) 167] on decomposition of H2O2 sensitized by CO. The value, k(1) (713 K) = 8.1 x 10(2) cm(3) mol(-1) s(-1), is consistent with spin-unrestricted density functional theory. Extrapolation to a wider temperature range through ab initio calculations yields the rate constant k(1) = 3.6 x 10(4)T(2.5) exp(-14425[K]/T) cm(3) mol(-1) s(-1). The reaction is probably of minor importance in combustion. The present analysis reconciles the batch reactor data of Baldwin et al. with recent high-level theoretical work on the CO + HO2 reaction.
Original languageEnglish
JournalChemical Physics Letters
Publication date2009
Volume475
Journal number1-3
Pages40-43
ISSN0009-2614
DOIs
StatePublished
CitationsWeb of Science® Times Cited: 0
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