Browsing by Subject "Thermochemistry"
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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 ... -
On the pyrolysis and combustion of furans: quantum chemical, statistical rate theory, and chemical kinetic modelling studies
(2014-06-23)The development of synthetic methods which can convert inedible waste biomass into liquid transportation fuels is an exciting breakthrough which may reduce our dependence on fossil fuels for energy production, and contribute ...