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

doi:10.1016/S0009-2614(03)01005-4

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 publication › Journal article › Academic research › peer-review

17 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 language	English
Pages (from-to)	465-474
Number of pages	10
Journal	Chemical Physics Letters
Volume	376
Issue number	3-4
DOIs	https://doi.org/10.1016/S0009-2614(03)01005-4
Publication status	Published - 24 Jul 2003

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/S0009-2614(03)01005-4

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AU - Chow, Wan Ki

AU - Mok, Kam Wah

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AB - 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.

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

Abstract

ASJC Scopus subject areas

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