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dc.contributor.authorPitz, William J.
dc.contributor.authorLiang, Jinhu
dc.contributor.authorKukkadapu, Goutham
dc.contributor.authorZhang, Kuiwen
dc.contributor.authorConroy, Christine
dc.contributor.authorBugler, John
dc.contributor.authorCurran, Henry J.
dc.date.accessioned2021-01-08T12:52:07Z
dc.date.issued2020-11-26
dc.identifier.citationPitz, William J., Liang, Jinhu, Kukkadapu, Goutham, Zhang, Kuiwen, Conroy, Christine, Bugler, John, & Curran, Henry J. A detailed chemical kinetic modeling and experimental investigation of the low- and high-temperature chemistry of n-butylcyclohexane. International Journal of Chemical Kinetics, doi:https://doi.org/10.1002/kin.21457en_IE
dc.identifier.issn0538-8066
dc.identifier.urihttp://hdl.handle.net/10379/16440
dc.description.abstractChemical kinetic models of gasoline, jet, and diesel fuels and their mixtures with bioderived fuels are needed to assess fuel property effects on efficiency, emissions, and other performance metrics in internal combustion and gas turbine engines. As these real fuels have too many fuel components to be included in a chemical kinetic model, surrogate fuels containing fewer components are used to represent them. These surrogate fuels mimic the chemical classes or molecular structures contained in the real fuel. One of the important chemical classes in gasoline, jet, and diesel fuels comprises cyclohexanes. Cyclohexanes comprise about 30% or more by weight in diesel fuel. Also, Mueller et al (Energy Fuels. 2012;26(6):3284-3303) proposed n-butylcyclohexane (nBCH) as a component in a nine-component surrogate palette to represent the ignition properties, distillation curve, density, and molecular structures of a diesel certification fuel. In this work, experimental measurements of the ignition delay times (IDTs) of nBCH in a shock tube and in a rapid compression machine are reported over a wide range of temperature, pressure, and equivalence ratio important for enabling the validation of a chemical kinetic model for nBCH for combustion in diesel engines. The range of conditions are temperatures of 630-1420 K, pressures of 10, 30, and 50 bar, and equivalence ratios of 0.3, 0.5, 1.0, and 2.0 in 'air'. A detailed chemical model is developed for nBCH to simulate its ignition at both low and high-temperature conditions and at relevant elevated pressures. The experimentally measured IDTs are used to improve and validate the chemical kinetic model.en_IE
dc.description.sponsorshipThe work at LLNL was supported by the U.S. Department of Energy, Vehicle Technologies Office (program managers Mike Weismiller and Gurpreet Singh) and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NUIG acknowledges the financial support of Saudi Aramco, the Irish Research Council and Science Foundation Ireland under grant numbers 15/IA/3177 and 16/SP/3829. Jinhu Liang acknowledges the International Scientific Cooperation Projects of Key R&D Programs in Shanxi Province via project number 201803D421101.en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherWileyen_IE
dc.relation.ispartofInternational Journal Of Chemical Kineticsen
dc.subjectRAPID COMPRESSION MACHINEen_IE
dc.subjectSHOCK-TUBEen_IE
dc.subjectOXIDATIONen_IE
dc.subjectAUTOIGNITIONen_IE
dc.subjectHYDROCARBONen_IE
dc.subjectDECOMPOSITIONen_IE
dc.subjectPATHWAYSen_IE
dc.subjectRADICALSen_IE
dc.subjectALKYLen_IE
dc.subjectC-1en_IE
dc.titleA detailed chemical kinetic modeling and experimental investigation of the low- and high-temperature chemistry of n-butylcyclohexaneen_IE
dc.typeArticleen_IE
dc.date.updated2021-01-07T10:58:17Z
dc.identifier.doi10.1002/kin.21457
dc.local.publishedsourcehttps://doi.org/10.1002/kin.21457en_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funderSaudi Aramcoen_IE
dc.contributor.funderIrish Research Councilen_IE
dc.contributor.funderScience Foundation Irelanden_IE
dc.description.embargo2021-11-26
dc.internal.rssid24168395
dc.local.contactHenry Curran, Dept Of Chemistry, Room 215, Arts/Science Building, Nui Galway. 3856 Email: henry.curran@nuigalway.ie
dc.local.copyrightcheckedYes
dc.local.versionACCEPTED
dcterms.projectinfo:eu-repo/grantAgreement/SFI/SFI Investigator Programme/15/IA/3177/IE/Combustion Chemistry for Sustainable Fuel Utilization/en_IE
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