Browsing School of Chemistry by Subject "Kinetics"
Now showing items 1-4 of 4
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Comparative chemical kinetic analysis and skeletal mechanism generation for syngas combustion with NOx chemistry
(American Chemical Society, 2019-12-09)Emission of nitrogen oxides (NOx) are one of the major environmental concerns arising from the combustion of syngas. Strategies to reduce emission and improve the efficiency of syngas combustion can be developed using ... -
Rate constant calculations of H-Atom abstraction reactions from ethers by H(O) over dot(2) radicals
(American Chemical Society, 2014-01-31)In this work, we detail hydrogen atom abstraction reactions from six ethers by the hydroperoxyl radical, including dimethyl ether, ethyl methyl ether, propyl methyl ether, isopropyl methyl ether, butyl methyl ether, and ... -
A theoretical study of cyclic ether formation reactions
(Elsevier, 2016-06-09)Cyclisation reactions of hydroperoxyl-alkyl radicals forming cyclic ethers and hydroxyl radicals play an important role in low temperature oxidation chemistry. These reactions contribute to the competition be-tween radical ... -
Theoretical study of the rate constants for the hydrogen atom abstraction reactions of esters with •OH radicals
(American Chemical Society, 2014-05-30)A systematic investigation of the rate constants for hydrogen atom abstraction reactions by hydroxyl radicals on esters has been performed. The geometry optimizations and frequency calculations were obtained using the ...