Browsing School of Chemistry by Subject "HYDROGEN ABSTRACTION"
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Detailed kinetic modeling of dimethoxymethane. Part I: Ab initio thermochemistry and kinetics predictions for key reactions
(Elsevier, 2017-09-06)Despite the great interest in oxygenated methyl ethers as diesel fuel additives and as fuels themselves, the influence of their methylenedioxy group(s) (0-CH2-0) has never been quantified using ab initio methods. In this ... -
Small ester combustion chemistry: Computational kinetics and experimental study of methyl acetate and ethyl acetate
(Elsevier, 2018-07-17)Small esters represent an important class of high octane biofuels for advanced spark ignition engines. They qualify for stringent fuel screening standards and could be synthesized through various pathways. In this work, ...