Specificities Related to Detailed Kinetic Models for the Combustion of Oxygenated Fuels Components - Université de Lorraine Access content directly
Book Section Year : 2013

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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hal-01291916 , version 1 (22-03-2016)

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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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