Étude expérimentale et modélisation des réactions d’oxydation du néopentane et de l’isopentane

• Published in: Canadian journal of chemistry Vol. 77; no. 7; pp. 1177 - 1190
• Main Authors: Taconnet, S, Simon, Y, Scacchi, G, Baronnet, F
• Format: Journal Article
• Language: English; French
• Published: Ottawa, Canada NRC Research Press 01.07.1999; Canadian Science Publishing NRC Research Press
• Subjects: Hydrocarbons; Oxidation
• ISSN: 0008-4042; 1480-3291
• DOI: 10.1139/v99-077

The different behaviour of hydrocarbons with respect to autoignition phenomena is, at present, not yet fully explained. We have therefore investigated the oxidation of two alkanes that have different octane numbers: neopentane (85.5) and isopentane (92.3), to obtain a better understanding of their reaction mechanisms, in particular, those reactions that are responsible for the onset of knock in spark ignition engines. The experimental study was performed at 873 K in a jet-stirred flow reaction vessel. The oxidation mechanisms were simplified by using the CHEMKIN programme of simulation of reaction mechanisms. These mechanisms were compared to those accounting for the oxidation of n-pentane, cyclopentane, n-heptane, and isooctane that we have previously studied. This comparison shows that the different behaviour of these hydrocarbons can be explained, at least in part, by the presence, in the reaction medium, of resonance-stabilized radicals.Key words: oxidation, neopentane, isopentane, autoignition, modelling.