Specificities related to detailed kinetic models for the combustion of oxygenated fuels components

Frédérique Battin-Leclerc; Henry Curran; Tiziano Faravelli; Pierre A. Glaude

doi:10.1007/978-1-4471-5307-8_4

Specificities related to detailed kinetic models for the combustion of oxygenated fuels components

Frédérique Battin-Leclerc, Henry Curran, Tiziano Faravelli, Pierre A. Glaude

Sustainable World

Research output: Chapter in Book or Conference Publication/Proceeding › Chapter › peer-review

7 Citations (Scopus)

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 β-scission, RO₂· radical chemistry, with especially intramolecular isomerizations, and reactions leading to unsaturated products and HO₂ radicals.

Original language	English
Title of host publication	Green Energy and Technology
Publisher	Springer-Verlag
Pages	93-109
Number of pages	17
Edition	9781447153061
DOIs	https://doi.org/10.1007/978-1-4471-5307-8_4
Publication status	Published - 2013

Publication series

Name	Green Energy and Technology
Number	9781447153061
Volume	0
ISSN (Print)	1865-3529
ISSN (Electronic)	1865-3537

Keywords

Aldehyde
Diesel
Hydrocarbon
Ketone
Oleate

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1007/978-1-4471-5307-8_4

Cite this

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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 β-scission, RO2· radical chemistry, with especially intramolecular isomerizations, and reactions leading to unsaturated products and HO2 radicals.",

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Specificities related to detailed kinetic models for the combustion of oxygenated fuels components. / Battin-Leclerc, Frédérique; Curran, Henry; Faravelli, Tiziano et al.
Green Energy and Technology. 9781447153061. ed. Springer-Verlag, 2013. p. 93-109 (Green Energy and Technology; Vol. 0, No. 9781447153061).

Research output: Chapter in Book or Conference Publication/Proceeding › Chapter › peer-review

TY - CHAP

T1 - Specificities related to detailed kinetic models for the combustion of oxygenated fuels components

AU - Battin-Leclerc, Frédérique

AU - Curran, Henry

AU - Faravelli, Tiziano

AU - Glaude, Pierre A.

PY - 2013

Y1 - 2013

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AB - 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 β-scission, RO2· radical chemistry, with especially intramolecular isomerizations, and reactions leading to unsaturated products and HO2 radicals.

KW - Aldehyde

KW - Diesel

KW - Hydrocarbon

KW - Ketone

KW - Oleate

UR - https://www.scopus.com/pages/publications/85017150512

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SP - 93

EP - 109

BT - Green Energy and Technology

PB - Springer-Verlag

ER -

Specificities related to detailed kinetic models for the combustion of oxygenated fuels components

Abstract

Publication series

Keywords

UN SDGs

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