Experimental and modeling study of the oxidation of n-butylbenzene

Husson, Benoit; Bounaceur, Roda; Tanaka, Kotaro; Ferrari, Maude; Herbinet, Olivier; Curran, Henry J.; Fournet, René; Battin-Leclerc, Frédérique; Crochet, Moïse; Vanhove, Guillaume; Minetti, R.; Tobin, Colin; Yasunaga, Kenji; Simmie, John M.; Curran, Henry J.; Niass, Tidjani; Mathieu, Olivier; Ahmed, Sayed A.

doi:10.1016/j.combustflame.2011.12.006

Cited by 55 publications

(71 citation statements)

References 44 publications

(112 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Ignition delay times of n-butylbenzene/air mixtures at 50 atm were newly obtained and those at lower pressure were published previously [22]. The size of the present shock tube is the same as that of the previous one (9.0 m in length; 63.5 mm in the internal diameter).…”

Section: Shock Tubesupporting

confidence: 58%

“…NTC behavior is also observed for n-butylbenzene in other RCM experiments [9] and in jet stirred reactors at 30 1 atm and 10 atm [22]. However for alkylbenzenes with shorter alkyl chains like n-propylbenzene, ethylbenzene and toluene, NTC behavior is not observed in the RCM [9].…”

Section: Discussionmentioning

confidence: 67%

“…A fraction of 4-phenylbut-4-ylperoxy radicals (17%) are also converted to 1-butenyl-benzene which reacts with ȮH radical and decomposes to benzaldehyde + n-propyl radicals and benzyl radicals + propanal. Propanal was also an important low temperature intermediate observed by Husson et al [22] for n-butylbenzene oxidation. At 1000 K, on the other hand, alpha radicals mainly decompose to styrene and ethyl radicals, while its addition to O 2 hardly occurs.…”

Section: Reaction Flux Analysismentioning

confidence: 80%

“…This radical subsequently decomposes to benzaldehyde and an n-propyl radical. Benzaldehyde is one of the important intermediates experimentally observed at low temperature oxidation of n-butylbenzene below 800 K [22] and the mechanism employed in that study greatly underpredicted its concentration. A fraction of alpha radicals (13.7%) react with O 2 and 4-phenylbut-4-ylperoxy radicals are formed, which are mainly converted (50.8%) to phenyl radicals through a sequence of isomerization, O 2 addition, ȮH production and decomposition reactions.…”

Section: Reaction Flux Analysismentioning

confidence: 99%

“…In our previous work on n-butylbenzene, Husson et al [22] obtained experimental results for its oxidation using three different methods: ignition delay time measurements in a rapid 4 compression machine over a temperature range of 640-960 K, at compressed pressures from 13 to 23 bar, and at equivalence ratios of 0.3 to 0.5; ignition delay time measurements using a shock tube over a temperature range of 980-1740 K, at reflected shock pressures of 1, 10, and 30 atm, for equivalence ratios of 0.3, 0.5, 1.0 and 2.0; species concentration measurements in a jet-stirred reactor over a temperature range of 550-1100 K, at atmospheric pressure, and at equivalence ratios of 0.25, 1.0, and 2.0. They found a large role of the addition to molecular oxygen of resonantly stabilized, 4-phenylbut-4-yl radicals.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations