Accurate three-dimensional quantum probabilities and collision lifetimes of the H+O2 combustion reaction

Russell T. Pack, Eric A. Butcher, Gregory A. Parker

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Abstract

Accurate 3D quantum state-to-state reaction probabilities and collision lifetimes for the H+02→OH+O combustion reaction for total angular momentum J=0 are reported. The reaction probabilities are dominated by resonances, many of which overlap. The total reaction probability is not enhanced by vibrational or rotational excitation of the reactants. The first accurate final state distributions are presented, and probability is found to spread out into all open product vibrational and rotational channels, with a rather strong tendency to produce highly excited product rotational states. The first calculated collision lifetimes are presented, and resonances with lifetimes of 1-10 ps are found at most energies. Whether the reaction behaves statistically is discussed, and future extensions needed are also discussed.

Original languageEnglish (US)
Pages (from-to)5998-6012
Number of pages15
JournalThe Journal of Chemical Physics
Volume102
Issue number15
DOIs
StatePublished - Jan 1 1995
Externally publishedYes

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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