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dc.contributor.authorZhang, Kuiwen
dc.contributor.authorBanyon, Colin
dc.contributor.authorBugler, John
dc.contributor.authorCurran, Henry J.
dc.contributor.authorRodriguez, Anne
dc.contributor.authorHerbinet, Olivier
dc.contributor.authorBattin-Leclerc, Frédérique
dc.contributor.authorB'Chir, Christine
dc.contributor.authorHeufer, Karl Alexander
dc.identifier.citationZhang, Kuiwen, Banyon, Colin, Bugler, John, Curran, Henry J, Rodriguez, Anne,Herbinet, Olivier, Battin-Leclerc, Frédérique, B'Chir, Christine, Heufer, Karl Alexander (2016) 'An updated experimental and kinetic modeling study of n-heptane oxidation'. Combustion And Flame, 172 :116-135. doi:
dc.descriptionJournal articleen_IE
dc.description.abstractThis work presents an updated experimental and kinetic modeling study of n-heptane oxidation. In the experiments, ignition delay times of stoichiometric n-heptaneiair mixtures have been measured in two different high-pressure shock tubes in the temperature range of 726-1412 K and at elevated pressures (15, 20 and 38 bar). Meanwhile, concentration versus time profiles of species have been measured in a jet-stirred reactor at atmospheric pressure, in the temperature range of 500-1100K at phi=0.25, 2.0 and 4.0. These experimental results are consistent with those from the literature at similar conditions and extend the current data base describing n-heptane oxidation.Based on our experimental observations and previous modeling work, a detailed kinetic model has been developed to describe n-heptane oxidation. This kinetic model has adopted reaction rate rules consistent with those recently developed for the pentane isomers and for n-hexane. The model has been validated against data sets from both the current work and the literature using ignition delay times, speciation profiles measured in a jet-stirred reactor and laminar flame speeds over a wide range of conditions. Good agreement is observed between the model predictions and the experimental data. The model has also been compared with several recently published kinetic models of n-heptane and shows an overall better performance. This model may contribute to the development of kinetic mechanisms of other fuels, as n-heptane is a widely used primary reference fuel. Since the sub-mechanisms of n-pentane, n-hexane and n-heptane have adopted consistent reaction rate rules, the model is more likely to accurately simulate the oxidation of mixtures of these fuels. In addition, the successful implementation of these rate rules have indicated the possibility of their application for the development of mechanisms for larger hydrocarbon fuels, which are of great significance for practical combustion devices. (C) 2016 The Combustion Institute. Published by Elsevier Inc. All rights reserved.en_IE
dc.description.sponsorshipEU Seventh Framework Programme FP7/2007-2013/ - REA grant agreement no. 607214en_IE
dc.publisherElsevier ScienceDirecten_IE
dc.relation.ispartofCombustion And Flameen
dc.subjectKinetic modelen_IE
dc.subjectShock tubeen_IE
dc.subjectJet-stirred reactoren_IE
dc.subjectLow-temperature oxidationen_IE
dc.subjectRapid compression machineen_IE
dc.subjectGasoline surrogate componentsen_IE
dc.subjectLaminar burning velocityen_IE
dc.subjectReflected shock-wavesen_IE
dc.subjectIgnition delay timesen_IE
dc.subjectPressure rate rulesen_IE
dc.subjectElevated pressuresen_IE
dc.titleAn updated experimental and kinetic modeling study of n-heptane oxidationen_IE
dc.local.contactHenry Curran, Dept Of Chemistry, Room 215, Arts/Science Building, Nui Galway. 3856 Email:

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