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Author(s):   Dixon-Lewis, G.; Marshall, P.; Ruscic, B.; Burcat, A.; Goos, E.; Cuoci, A.; Frassoldati, A.; Faravelli, T.; Glarborg, P.
Title:   Inhibition of hydrogen oxidation by HBr and Br-2
Journal:   Combust. Flame
Volume:   159
Page(s):   528 - 540
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012DIX/MAR528-540

Reaction:   HOBr·OH + Br·
Reaction order:   2
Temperature:   700 - 2000 K
Rate expression:   3.74x10-6 [cm3/molecule s] (T/298 K)-1.52 e-213960 [J/mole]/RT
Category:  Theory
Data type:   Estimated: thermochemical, kinetic, or other
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constant was estimated using Troe formalism.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
700 1.11E-22
800 8.95E-21
900 2.67E-19
1000 3.97E-18
1100 3.56E-17
1200 2.19E-16
1300 1.01E-15
1400 3.71E-15
1500 1.14E-14
1600 3.01E-14
1700 7.08E-14
1800 1.50E-13
1900 2.94E-13
2000 5.35E-13