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dc.contributor.authorKukkadapu, Goutham
dc.contributor.authorWagnon, Scott W.
dc.contributor.authorMehl, Marco
dc.contributor.authorZhang, Kuiwen
dc.contributor.authorWestbrook, Charles K.
dc.contributor.authorPitz, William J.
dc.contributor.authorMcNenly, M. J.
dc.contributor.authorSarathy, Mani
dc.contributor.authorRodriguez, Anne
dc.contributor.authorHerbinet, Olivier
dc.contributor.authorBattin-Leclerc, Frédérique
dc.contributor.authorSung, Chih Jen
dc.date.accessioned2020-12-29T12:20:29Z
dc.date.available2020-12-29T12:20:29Z
dc.date.issued2017-01-01
dc.identifier.urihttp://hdl.handle.net/10754/666752
dc.description.abstractLarge n-alkanes are important reference components in the formulation of surrogates for Jet and Diesel fuels. This work focuses on the kinetics of n-alkanes larger than n-heptane with carbon chain length varying between 8 (n-octane) to 20 (n-eicosane) through newly acquired experimental data and detailed kinetic modeling. Extending the previous work by Zhang et al. on n-heptane, recent literature quantum chemical calculations have been used to generate a new set of consistent reaction rate rules for large alkanes. Based on these rules, the existing LLNL kinetic mechanisms for large n-alkanes has been revised and the model results have been compared to literature data and new stirred reactor experiments including important low temperature oxidation intermediates. The optimized model had generally been found to perform a good job against experimental data from current study and archived shock tube, and jet stirred reactor data in the literature.
dc.description.sponsorshipThe work at LLNL is supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office (program managers Gurpreet Singh and Leo Breton) and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. C. J. Sungwould like to thank the support from National Science Foundation under Grant No. CBET-1402231.The work at KAUST was supported by Saudi Aramco under the FUELCOM program and by the King Abdullah University of Science and Technology (KAUST) with competitive research funding given to the Clean Combustion Research Center (CCRC).The work At LRGP was supported by COST Action CM1404.
dc.publisherEastern States Section of the Combustion Institute
dc.relation.urlhttps://research.kaust.edu.sa/en/publications/an-updated-comprehensive-chemical-kinetic-model-of-c8-c20-n-alkan
dc.rightsArchived with thanks to Eastern States Section of the Combustion Institute
dc.titleAn updated comprehensive chemical kinetic model of C8-C20 n-alkanes
dc.typeConference Paper
dc.contributor.departmentChemical Engineering Program
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.conference.date2017-04-23 to 2017-04-26
dc.conference.name10th U.S. National Combustion Meeting
dc.conference.locationCollege Park, MD, USA
dc.eprint.versionPre-print
dc.contributor.institutionLawrence Livermore National Laboratory, Livermore, CA, 94551, United States
dc.contributor.institutionLaboratoire Réactions et Génie des Procédés, CNRS, Université de Lorraine, ENSIC, 1, rue Grandville, Nancy Cedex, 54001, France
dc.contributor.institutionUniversity of Connecticut, Storrs, CT, 06269, United States
dc.identifier.volume2017-April
kaust.personSarathy, Mani
dc.identifier.eid2-s2.0-85048973491
kaust.acknowledged.supportUnitClean Combustion Research Center (CCRC)


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