Use of detailed kinetic mechanisms for the prediction of autoignitions.

Frédéric Buda (1) , Pierre-Alexandre Glaude (1) , Frédérique Battin-Leclerc (1) , Richard Porter (2) , Kevin J. Hughes (2) , John F. Griffiths (2)

1 DCPR - Département de Chimie Physique des Réactions
2 School of Chemistry [Leeds]

This paper describes how automatically generated detailed kinetic mechanisms are obtained for the oxidation of alkanes and how these models could lead to a better understanding of autoignition and cool flame risks at elevated conditions. Examples of prediction of the occurrence of different autoignition phenomena, such as cool flames or two-stage ignitions are presented depending on the condition of pressure, temperature and mixture composition. Three compounds are treated, a light alkane, propane, and two heavier ones, n-heptane and n-decane.

Mots clés: Alkanes; Gas-phase explosion; Autoignition; Cool flames; Detailed kinetic mechanisms

Domaines: Chimie-Physique [physics.chem-ph]

Frédéric Buda, Pierre-Alexandre Glaude, Frédérique Battin-Leclerc, Richard Porter, Kevin J. Hughes, et al.. Use of detailed kinetic mechanisms for the prediction of autoignitions.. Journal of Loss Prevention in the Process Industries, 2006, 19, pp.227-232. ⟨hal-00021654⟩