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Specificities Related to Detailed Kinetic Models for the Combustion of Oxygenated Fuels Components

Abstract : This article presents the specific classes of reactions considered for modeling the oxidation of the two types of oxygenated molecules which are the most usually considered in biofuels: alcohols and esters. Using models for hydrocarbon oxidation as a reference, this paper also reports the major changes to be considered for the kinetic data of the main reaction classes which are the same as those taken into account for non-oxygenated reactants. Details are given in the case of hydrogen atom abstractions, radical decompositions by beta-scission, RO2 . radical chemistry, with especially intramolecular isomerizations, and reactions leading to unsaturated products and HO2 radicals.
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https://hal.univ-lorraine.fr/hal-01291916
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Submitted on : Tuesday, March 22, 2016 - 12:06:18 PM
Last modification on : Tuesday, August 13, 2019 - 11:10:03 AM

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Frédérique Battin-Leclerc, Henry Curran, Tiziano Faravelli, Pierre-Alexandre Glaude. Specificities Related to Detailed Kinetic Models for the Combustion of Oxygenated Fuels Components. BattinLeclerc, F and Simmie, JM and Blurock, E. CLEANER COMBUSTION: DEVELOPING DETAILED CHEMICAL KINETIC MODELS, pp.93-109, 2013, Green Energy and Technology, 978-1-4471-5306-1; 978-1-4471-5307-8. ⟨10.1007/978-1-4471-5307-8_4⟩. ⟨hal-01291916⟩

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