The rate constant for the CO + H2O2 reaction

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Article on the rate constant for the CO + H2O2 reaction.

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14 p.

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Glarborg, Peter & Marshall, Paul June 16, 2009.

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Article on the rate constant for the CO + H2O2 reaction.

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14 p.

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Abstract: 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 H2O2H2O2 sensitized by CO. The value, k1 (713 K) = 8.1 x 10(2) cm3 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 k1 = 3.6 x 10(4) T(2.5) exp(-14425[K]/T) cm3 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.

This is the accepted manuscript version of the article. Reprinted with permission from Elsevier Science Ltd., all rights reserved. The final definitive version is available here: http://www.sciencedirect.com/science/article/pii/S0009261409005892

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  • Chemical Physics Letters, 2009, Amsterdam: Elsevier Science Ltd., pp. 40-43

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  • Publication Title: Chemical Physics Letters
  • Volume: 475
  • Issue: 1-3
  • Page Start: 40
  • Page End: 43
  • Peer Reviewed: Yes

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  • June 16, 2009

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  • Oct. 2, 2015, 9:40 a.m.

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Glarborg, Peter & Marshall, Paul. The rate constant for the CO + H2O2 reaction, article, June 16, 2009; [Amsterdam, Netherlands]. (digital.library.unt.edu/ark:/67531/metadc725773/: accessed July 21, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.