Show simple item record

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.accessioned2018-04-18T05:59:25Z
dc.date.available2018-04-18T05:59:25Z
dc.date.issued2018-04-04
dc.identifier.citationGhosh MK, Howard MS, Zhang Y, Djebbi K, Capriolo G, et al. (2018) The combustion kinetics of the lignocellulosic biofuel, ethyl levulinate. Combustion and Flame 193: 157–169. Available: http://dx.doi.org/10.1016/j.combustflame.2018.02.028.
dc.identifier.issn0010-2180
dc.identifier.doi10.1016/j.combustflame.2018.02.028
dc.identifier.urihttp://hdl.handle.net/10754/627556
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/O2 mixtures at ϕ = 1.0 and ϕ = 0.5 at ∼ 10 atm over the temperature range 1000–1400 K. Ethyl levulinate is observed not to ignite at temperatures lower than ∼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.
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.
dc.publisherElsevier BV
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S0010218018301007
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Combustion and Flame. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Combustion and Flame, 4 April 2018. DOI: 10.1016/j.combustflame.2018.02.028. © 2018. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectEthyl levulinate
dc.subjectLignocellulosic biofuel
dc.subjectKinetic model
dc.subjectIgnition delay
dc.subjectGasoline
dc.titleThe combustion kinetics of the lignocellulosic biofuel, ethyl levulinate
dc.typeArticle
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentMechanical Engineering Program
dc.identifier.journalCombustion and Flame
dc.eprint.versionPost-print
dc.contributor.institutionDepartment of Chemical Sciences, University of Limerick, Ireland
dc.contributor.institutionSchool of Physics, Trinity College Dublin, The University of Dublin, Ireland
dc.contributor.institutionCombustion Chemistry Centre, National University of Ireland, Galway, Ireland
kaust.personDjebbi, Khalil
kaust.personFarooq, Aamir


Files in this item

Thumbnail
Name:
Ghosh_EL combustion kinetics_CnF_Revision.pdf
Size:
1.168Mb
Format:
PDF
Description:
Accepted Manuscript
Embargo End Date:
2020-04-04
Thumbnail
Name:
1-s2.0-S0010218018301007-mmc1.zip
Size:
582.5Kb
Format:
Unknown
Description:
Supplementary materials

This item appears in the following Collection(s)

Show simple item record