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dc.contributor.authorSarathy, Mani
dc.contributor.authorJaved, Tamour
dc.contributor.authorKarsenty, Florent
dc.contributor.authorHeufer, Alexander
dc.contributor.authorWang, Weijing
dc.contributor.authorPark, Sungwoo
dc.contributor.authorElwardani, Ahmed Elsaid
dc.contributor.authorFarooq, Aamir
dc.contributor.authorWestbrook, Charles K.
dc.contributor.authorPitz, William J.
dc.contributor.authorOehlschlaeger, Matthew A.
dc.contributor.authorDayma, Guillaume
dc.contributor.authorCurran, Henry J.
dc.contributor.authorDagaut, P.
dc.date.accessioned2015-08-03T11:54:38Z
dc.date.available2015-08-03T11:54:38Z
dc.date.issued2014-06
dc.identifier.issn00102180
dc.identifier.doi10.1016/j.combustflame.2013.12.010
dc.identifier.urihttp://hdl.handle.net/10754/563566
dc.description.abstractIso-paraffinic molecular structures larger than seven carbon atoms in chain length are commonly found in conventional petroleum, Fischer-Tropsch (FT), and other alternative hydrocarbon fuels, but little research has been done on their combustion behavior. Recent studies have focused on either mono-methylated alkanes and/or highly branched compounds (e.g., 2,2,4-trimethylpentane). In order to better understand the combustion characteristics of real fuels, this study presents new experimental data for the oxidation of 2,5-dimethylhexane under a wide variety of temperature, pressure, and equivalence ratio conditions. This new dataset includes jet stirred reactor speciation, shock tube ignition delay, and rapid compression machine ignition delay, which builds upon recently published data for counterflow flame ignition, extinction, and speciation profiles. The low and high temperature oxidation of 2,5-dimethylhexane has been simulated with a comprehensive chemical kinetic model developed using established reaction rate rules. The agreement between the model and data is presented, along with suggestions for improving model predictions. The oxidation behavior of 2,5-dimethylhexane is compared with oxidation of other octane isomers to confirm the effects of branching on low and intermediate temperature fuel reactivity. The model is used to elucidate the structural features and reaction pathways responsible for inhibiting the reactivity of 2,5-dimethylhexane. © 2014 The Combustion Institute.
dc.description.sponsorshipThe work at KAUST was funded by the Clean Combustion Research Center and by Saudi Aramco under the FUELCOM program. The Rensselaer group was supported by the U.S. Air Force Office of Scientific Research (Grant No. FA9550-11-1-0261) with Dr. Chiping Li as technical monitor. The LLNL work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the US Department of Energy, Office of Vehicle Technologies. At CNRS, the research leading to these results has received funding from the European Research Council under the European Community's Seventh Framework Programme (FP7/2007-2013)/ERC Grant agreement no 291049 - 2G-CSafe.
dc.publisherElsevier BV
dc.subjectBranched hydrocarbons
dc.subjectChemical kinetic modeling
dc.subjectIgnition delay
dc.subjectJet stirred reactor
dc.subjectRapid compression machine
dc.subjectShock tube
dc.titleA comprehensive combustion chemistry study of 2,5-dimethylhexane
dc.typeArticle
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentChemical and Biological Engineering Program
dc.contributor.departmentMechanical Engineering Program
dc.contributor.departmentChemical Kinetics & Laser Sensors Laboratory
dc.identifier.journalCombustion and Flame
dc.contributor.institutionCNRS-INSIS, 1C, Ave de la Recherche Scientifique, Orleans Cedex 2, France
dc.contributor.institutionCombustion Chemistry Centre, School of Chemistry, National University of Ireland Galway, Ireland
dc.contributor.institutionMechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, United States
dc.contributor.institutionLawrence Livermore National Laboratory, Livermore, CA, United States
kaust.personSarathy, Mani
kaust.personPark, Sungwoo
kaust.personElwardani, Ahmed Elsaid
kaust.personFarooq, Aamir
kaust.personJaved, Tamour
kaust.acknowledged.supportUnitClean Combustion Research Center


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