Issue 11, 2002

Development of kinetic models for the formation and degradation of unsaturated hydrocarbons at high temperature

Abstract

This paper presents a review of recent work concerning oxidation and combustion reactions related to kinetic models involving unsaturated hydrocarbons, which have been obtained by using EXGAS, the system for the automatic generation of detailed mechanism developed in our laboratory: First, a modelling of the ignition delays of but-1-yne and but-2-yne obtained in a shock tube is described. In the second part, the types of generic reactions, which are used in the primary mechanism of the oxidation of alkenes are presented, together with a validation of the models generated by using the rules that we have defined. For that purpose, a modelling of experimental results of the propene and but-1-ene oxidations in a perfectly stirred reactor is proposed. Finally, a consideration of a study of the oxidation of n-hexadecane in a jet-stirred reactor is made which emphasises the importance of the role of the reactions consuming alkenes in correctly reproducing the oxidation of long linear alkanes.

Article information

Article type
Paper
Submitted
16 Nov 2001
Accepted
10 Apr 2002
First published
02 May 2002

Phys. Chem. Chem. Phys., 2002,4, 2072-2078

Development of kinetic models for the formation and degradation of unsaturated hydrocarbons at high temperature

F. Battin-Leclerc, Phys. Chem. Chem. Phys., 2002, 4, 2072 DOI: 10.1039/B110563A

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