Reaction enthalpies and activation energies of two important reactions in flame suppression by CF3Br
Reaction enthalpies and activation energies of two important reactions in flame suppression by CF3Br
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.
shock-waves, hydrogen, combustion, heats, br
465-474
Lee, E.P.F.
f47c6d5d-2d1f-4f03-a3ff-03658812d80b
Dyke, J.M.
46393b45-6694-46f3-af20-d7369d26199f
Chau, F.-T.
cb44fb9c-5bf8-4b10-a019-1e45153c6e49
Chow, W.-K.
60e4bfef-4603-4b3f-b534-c7c706a8ca71
Mok, D.K.W.
49a4e516-0e71-4f59-a3ec-bd607b47ef33
24 July 2003
Lee, E.P.F.
f47c6d5d-2d1f-4f03-a3ff-03658812d80b
Dyke, J.M.
46393b45-6694-46f3-af20-d7369d26199f
Chau, F.-T.
cb44fb9c-5bf8-4b10-a019-1e45153c6e49
Chow, W.-K.
60e4bfef-4603-4b3f-b534-c7c706a8ca71
Mok, D.K.W.
49a4e516-0e71-4f59-a3ec-bd607b47ef33
Lee, E.P.F., Dyke, J.M., Chau, F.-T., Chow, W.-K. and Mok, D.K.W.
(2003)
Reaction enthalpies and activation energies of two important reactions in flame suppression by CF3Br.
Chemical Physics Letters, 376 (3-4), .
(doi:10.1016/S0009-2614(03)01005-4).
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.
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Published date: 24 July 2003
Additional Information:
Short communication
Keywords:
shock-waves, hydrogen, combustion, heats, br
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Local EPrints ID: 20012
URI: http://eprints.soton.ac.uk/id/eprint/20012
ISSN: 0009-2614
PURE UUID: b0579a5f-dd8a-4241-94be-c22df765b66f
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Date deposited: 24 Feb 2006
Last modified: 16 Mar 2024 02:36
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Author:
E.P.F. Lee
Author:
F.-T. Chau
Author:
W.-K. Chow
Author:
D.K.W. Mok
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