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dc.contributor.authorDarcy, Daniel
dc.contributor.authorMehl, Marco
dc.contributor.authorSimmie, John M.
dc.contributor.authorWürmel, Judith
dc.contributor.authorWestbrook, Charles K.
dc.contributor.authorPitz, William J.
dc.date.accessioned2016-11-10T10:45:35Z
dc.date.available2016-11-10T10:45:35Z
dc.date.issued2012-07-11
dc.identifier.citationDarcy, D,Mehl, M,Simmie, JM,Wurmel, J,Metcalfe, WK,Westbrook, CK,Pitz, WJ,Curran, HJ (2013) 'An experimental and modeling study of the shock tube ignition of a mixture of n-heptane and n-propylbenzene as a surrogate for a large alkyl benzene'. Proceedings Of The Combustion Institute, 34 (1) :411-418. doi: http://dx.doi.org/10.1016/j.proci.2012.06.131en_IE
dc.identifier.issn1540-7489
dc.identifier.urihttp://hdl.handle.net/10379/6152
dc.descriptionJournal articleen_IE
dc.description.abstractAlkyl aromatics are an important chemical class in gasoline, jet and diesel fuels. In the present work, an n-propylbenzene and n-heptane mixture is studied as a possible surrogate for large alkyl benzenes contained in diesel fuels. To evaluate it as a surrogate, ignition delay times have been measured in a heated high pressure shock tube (HPST) for a mixture of 57% n-propylbenzene/43% n-heptane in air (approximate to 21% O-2, approximate to 79% N-2) at equivalence ratios of 0.29, 0.49, 0.98 and 1.95 and compressed pressures of 1, 10 and 30 atm over a temperature range of 1000-1600 K. The effects of reflected-shock pressure and equivalence ratio on ignition delay time were determined and common trends highlighted. A combined n-propylbenzene and n-heptane reaction mechanism was assembled and simulations of the shock tube experiments were carried out. The simulation results showed very good agreement with the experimental data for ignition delay times. Sensitivity and reaction pathway analyses have been performed to reveal the important reactions responsible for fuel oxidation under the shock tube conditions studied. It was found that at 1000 K, the main consumption pathways for n-propylbenzene are abstraction reactions on the alkyl chain, with particular selectivity to the allylic site. In comparison at 1500 K, the unimolecular decomposition of the fuel is the main consumption pathway. (C) 2012 The Combustion Institute. Published by Elsevier Inc. All rights reserved.en_IE
dc.description.sponsorshipSaudi Aramcoen_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherElsevier ScienceDirecten_IE
dc.relation.ispartofProceedings Of The Combustion Instituteen
dc.subjectShock tubeen_IE
dc.subjectOxidationen_IE
dc.subjectn-Propylbenzeneen_IE
dc.subjectn-Heptaneen_IE
dc.subjectAlkylbenzeneen_IE
dc.titleAn experimental and modeling study of the shock tube ignition of a mixture of n-heptane and n-propylbenzene as a surrogate for a large alkyl benzeneen_IE
dc.typeArticleen_IE
dc.date.updated2016-10-20T09:19:27Z
dc.identifier.doi10.1016/j.proci.2012.06.131
dc.local.publishedsourcehttp://dx.doi.org/10.1016/j.proci.2012.06.131en_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funder|~|
dc.internal.rssid10453420
dc.local.contactHenry Curran, Dept Of Chemistry, Room 215, Arts/Science Building, Nui Galway. 3856 Email: henry.curran@nuigalway.ie
dc.local.copyrightcheckedNo
dc.local.versionSUBMITTED
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