volume 159, issue 2, P528-540 2012
DOI: 10.1016/j.combustflame.2011.08.016
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Graham Dixon-Lewis, Paul Marshall, Branko Ruscic, Alexander Burcat, Elke Goos, Alberto Cuoci, Alessio Frassoldati, Tiziano Faravelli, Peter Glarborg

Abstract: AbstractThe high-temperature bromine chemistry was updated and the inhibition mechanisms involving HBr and Br 2 were re-examined. The thermochemistry of the bromine species was obtained using the Active Thermochemical Tables (ATcT) approach, resulting in improved data for, among others, Br, HBr, HOBr and BrO. Ab initio calculations were used to obtain rate coefficients for selected reactions of HBr and HOBr, and the hydrogen/bromine/oxygen reaction mechanism was updated. The resulting model was validated agai…

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