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dc.contributor.authorLokachari, Nitin
dc.contributor.authorWagnon, Scott W.
dc.contributor.authorKukkadapu, Goutham
dc.contributor.authorPitz, William J.
dc.contributor.authorCurran, Henry J.
dc.identifier.citationLokachari, Nitin, Wagnon, Scott W., Kukkadapu, Goutham, Pitz, William J., & Curran, Henry J. (2021). Experimental and Kinetic Modeling Study of 3-Methyl-2-butenol (Prenol) Oxidation. Energy & Fuels, 35(17), 13999-14009. doi: 10.1021/acs.energyfuels.1c01530en_IE
dc.description.abstractLonger chain alcohols with 4–5 carbon atoms are attractive alternative fuels as they can be derived from biological sources and since their combustion leads to lower exhaust gas levels of NOx and soot compared to commercial fossil fuels. The auto-ignition behavior of fuels that contain both a hydroxyl group and a C═C double bond in their molecular structure is not well established in the literature. Understanding the influence of these functional groups on the ignition behavior of fuels is critical in the development of tailor-made fuels for advanced combustion engines. In this study, ignition delay times of an unsaturated alcohol, 3-methyl-2-butenol (prenol), are measured using a high-pressure shock tube and a rapid compression machine at pressures of 15 and 30 bar at equivalence ratios of 0.5, 1.0, and 2.0 in “air” in the temperature range 600–1400 K. A detailed kinetic model is developed and validated using the new experimental data in this study. In addition, speciation data in a jet-stirred reactor, ignition delay times, and laminar burning velocities available in the literature were also used to validate the new kinetic model. Fuel flux and sensitivity analyses are performed using this new model to determine the important fuel consumption pathways and critical reactions that affect the reactivity of prenol.en_IE
dc.description.sponsorshipThe authors at NUI Galway recognize funding support from Science Foundation Ireland through project number 15/IA/3177. The work at LLNL was performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was conducted as part of the Co-Optimization of Fuels & Engines (Co-Optima) project sponsored by the DOE Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy Technologies and Vehicle Technologies Offices.en_IE
dc.publisherAmerican Chemical Societyen_IE
dc.relation.ispartofEnergy And Fuelsen
dc.rightsAttribution 4.0 International (CC BY 4.0)
dc.subjectKinetic modelingen_IE
dc.subjectOrganic reactionsen_IE
dc.subjectFossil fuelsen_IE
dc.titleExperimental and kinetic modeling study of 3-Methyl-2-butenol (Prenol) oxidationen_IE
dc.contributor.funderScience Foundation Irelanden_IE
dc.local.contactHenry Curran, Dept Of Chemistry, Room 215, Arts/Science Building, Nui Galway. 3856 Email:
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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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)