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dc.contributor.authorGhosh, Manik Kumer
dc.contributor.authorHoward, Mícheál Séamus
dc.contributor.authorZhang, Yingjia
dc.contributor.authorDjebbi, Khalil
dc.contributor.authorCapriolo, Gianluca
dc.contributor.authorFarooq, Aamir
dc.contributor.authorCurran, Henry J.
dc.contributor.authorDooley, Stephen
dc.date.accessioned2018-12-18T11:56:08Z
dc.date.issued2018-04-04
dc.identifier.citationGhosh, Manik Kumer, Howard, Mícheál Séamus, Zhang, Yingjia, Djebbi, Khalil, Capriolo, Gianluca, Farooq, Aamir, Curran, Henry J., Dooley, Stephen. (2018). The combustion kinetics of the lignocellulosic biofuel, ethyl levulinate. Combustion and Flame, 193, 157-169. doi: https://doi.org/10.1016/j.combustflame.2018.02.028en_IE
dc.identifier.issn1556-2921
dc.identifier.urihttp://hdl.handle.net/10379/14737
dc.description.abstractEthyl levulinate (Ethyl 4-oxopentanoate) is a liquid molecule at ambient temperature, comprising of ketone and ethyl ester functionalities and is one of the prominent liquid fuel candidates that may be easily obtained from lignocellulosic biomass. The combustion kinetics of ethyl levulinate have been investigated. Shock tube and rapid compression machine apparatuses are utilised to acquire gas phase ignition delay measurements of 0.5% ethyl levulinate/O-2 mixtures at phi = 1.0 and phi = 0.5 at similar to 10 atm over the temperature range 1000-1400K. Ethyl levulinate is observed not to ignite at temperatures lower than similar to 1040 K in the rapid compression machine. The shock tube and rapid compression machine data are closely consistent and show ethyl levulinate ignition delay to exhibit an Arrhenius dependence to temperature. These measurements are explained by the construction and analysis of a detailed chemical kinetic model. The kinetic model is completed by establishing thermochemical-kinetic analogies to 2-butanone, for the ethyl levulinate ketone functionality, and to ethyl propanoate for the ethyl ester functionality. The so constructed model is observed to describe the shock tube data very accurately, but computes the rapid compression machine data set to a lesser but still applicable fidelity. Analysis of the model suggests the autooxidation mechanism of ethyl levulinate to be entirely dominated by the propensity for the ethyl ester functionality to unimolecularly decompose to form levulinic acid and ethylene. The subsequent reaction kinetics of these species is shown to dictate the overall rate of the global combustion reaction. This model is then use to estimate the Research and Motored Octane Numbers of ethyl levulinate to be >= 97.7 and >= 93, respectively. With this analysis ethyl levulinate would be best suited as a gasoline fuel component, rather than as a diesel fuel as suggested in the literature. Indeed it may be considered to be useful as an octane booster. The ethyl levulinate kinetic model is constructed within a state-of-the-art gasoline surrogate combustion kinetic model and is thus available as a tool with which to investigate the use of ethyl levulinate as a gasoline additive. (C) 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved.en_IE
dc.description.sponsorshipResearch (University of Limerick, Trinity College Dublin & KAUST) reported in this publication was carried out under the Future Fuels project supported by the Competitive Center Funding (CCF) program at King Abdullah University of Science and Technology (KAUST). Research conducted at National University of Ireland, Galway and Trinity College Dublin was supported by Science Foundation Ireland. Computational resources were provided by the Irish Centre for High-End Computing, ICHEC.en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherElsevieren_IE
dc.relation.ispartofCombustion And Flameen
dc.subjectEthyl levulinateen_IE
dc.subjectLignocellulosic biofuelen_IE
dc.subjectKinetic modelen_IE
dc.subjectIgnition delayen_IE
dc.subjectGasolineen_IE
dc.subjectACTIVE THERMOCHEMICAL TABLESen_IE
dc.subjectBOND-DISSOCIATION ENERGIESen_IE
dc.subjectCOMPOUND METHODS CBS-QB3en_IE
dc.subjectTHERMAL-DECOMPOSITIONen_IE
dc.subjectFORMATION ENTHALPIESen_IE
dc.subjectMETHYL BUTANOATEen_IE
dc.subjectCBS-APNOen_IE
dc.subjectOXIDATIONen_IE
dc.subjectESTERSen_IE
dc.subjectPROPANOATEen_IE
dc.titleThe combustion kinetics of the lignocellulosic biofuel, ethyl levulinateen_IE
dc.typeArticleen_IE
dc.date.updated2018-12-14T16:00:12Z
dc.identifier.doi10.1016/j.combustflame.2018.02.028
dc.local.publishedsourcehttps://doi.org/10.1016/j.combustflame.2018.02.028en_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funderKing Abdullah University of Science and Technologyen_IE
dc.contributor.funderScience Foundation Irelanden_IE
dc.description.embargo2020-04-04
dc.internal.rssid14632959
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
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