The combustion kinetics of the lignocellulosic biofuel, ethyl levulinate

Handle URI:
http://hdl.handle.net/10754/627556
Title:
The combustion kinetics of the lignocellulosic biofuel, ethyl levulinate
Authors:
Ghosh, Manik Kumer ( 0000-0001-9356-9228 ) ; Howard, Mícheál Séamus; Zhang, Yingjia ( 0000-0002-3856-9257 ) ; Djebbi, Khalil; Capriolo, Gianluca; Farooq, Aamir ( 0000-0001-5296-2197 ) ; Curran, Henry J. ( 0000-0002-5124-8562 ) ; Dooley, Stephen
Abstract:
Ethyl 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.
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division; Mechanical Engineering Program
Citation:
Ghosh 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.
Publisher:
Elsevier BV
Journal:
Combustion and Flame
Issue Date:
4-Apr-2018
DOI:
10.1016/j.combustflame.2018.02.028
Type:
Article
ISSN:
0010-2180
Sponsors:
Research (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.
Additional Links:
http://www.sciencedirect.com/science/article/pii/S0010218018301007
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorGhosh, Manik Kumeren
dc.contributor.authorHoward, Mícheál Séamusen
dc.contributor.authorZhang, Yingjiaen
dc.contributor.authorDjebbi, Khalilen
dc.contributor.authorCapriolo, Gianlucaen
dc.contributor.authorFarooq, Aamiren
dc.contributor.authorCurran, Henry J.en
dc.contributor.authorDooley, Stephenen
dc.date.accessioned2018-04-18T05:59:25Z-
dc.date.available2018-04-18T05:59:25Z-
dc.date.issued2018-04-04en
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.en
dc.identifier.issn0010-2180en
dc.identifier.doi10.1016/j.combustflame.2018.02.028en
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.en
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
dc.publisherElsevier BVen
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S0010218018301007en
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/en
dc.subjectEthyl levulinateen
dc.subjectLignocellulosic biofuelen
dc.subjectKinetic modelen
dc.subjectIgnition delayen
dc.subjectGasolineen
dc.titleThe combustion kinetics of the lignocellulosic biofuel, ethyl levulinateen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMechanical Engineering Programen
dc.identifier.journalCombustion and Flameen
dc.eprint.versionPost-printen
dc.contributor.institutionDepartment of Chemical Sciences, University of Limerick, Irelanden
dc.contributor.institutionSchool of Physics, Trinity College Dublin, The University of Dublin, Irelanden
dc.contributor.institutionCombustion Chemistry Centre, National University of Ireland, Galway, Irelanden
kaust.authorDjebbi, Khalilen
kaust.authorFarooq, Aamiren
All Items in KAUST are protected by copyright, with all rights reserved, unless otherwise indicated.