Graham Dixon-Lewis, Paul Marshall, Branko Ruscic, Alexander Burcat, Elke Goos, Alberto Cuoci, Alessio Frassoldati, Tiziano Faravelli, Peter Glarborg
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…
scite is a Brooklyn-based startup that helps researchers better discover and evaluate scientific articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by researchers from dozens of countries and is funded in part by the National Science Foundation and the National Institute of Drug Abuse of the National Institutes of Health.