Reaction enthalpies and activation energies of two important reactions in flame suppression by CF3Br

E. P.F. Lee, J. M. Dyke, F. T. Chau, Wan Ki Chow, Kam Wah Mok

Research output: Journal article publicationJournal articleAcademic researchpeer-review

16 Citations (Scopus)

Abstract

Reaction enthalpies and activation energies of the reactions: CF3Br→CF3+Br and CF3Br+H→CF3+HBr, were calculated at near state-of-the-art level, and compared with available experimental values and values employed in kinetic modelling of flame suppression. An ab initio strategy for evaluating reliable reaction enthalpies and activation energies for reactions considered in kinetic modelling of fire inhibition is recommended.
Original languageEnglish
Pages (from-to)465-474
Number of pages10
JournalChemical Physics Letters
Volume376
Issue number3-4
DOIs
Publication statusPublished - 24 Jul 2003

ASJC Scopus subject areas

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

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