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dc.contributor.authorTingas, Efstathios Al.
dc.contributor.authorManias, Dimitris M.
dc.contributor.authorSarathy, Mani
dc.contributor.authorGoussis, Dimitris A.
dc.date.accessioned2018-03-15T11:28:26Z
dc.date.available2018-03-15T11:28:26Z
dc.date.issued2018-03-11
dc.identifier.citationTingas EA, Manias DM, Mani Sarathy S, Goussis DA (2018) CH 4 /air homogeneous autoignition: A comparison of two chemical kinetics mechanisms. Fuel 223: 74–85. Available: http://dx.doi.org/10.1016/j.fuel.2018.03.025.
dc.identifier.issn0016-2361
dc.identifier.doi10.1016/j.fuel.2018.03.025
dc.identifier.urihttp://hdl.handle.net/10754/627315
dc.description.abstractReactions contributing to the generation of the explosive time scale that characterise autoignition of homogeneous stoichiometric CH4/air mixture are identified using two different chemical kinetics models; the well known GRI-3.0 mechanism (53/325 species/reactions with N-chemistry) and the AramcoMech mechanism from NUI Galway (113/710 species/reactions without N-chemistry; Combustion and Flame 162:315-330, 2015). Although the two mechanisms provide qualitatively similar results (regarding ignition delay and profiles of temperature, of mass fractions and of explosive time scale), the 113/710 mechanism was shown to reproduce the experimental data with higher accuracy than the 53/325 mechanism. The present analysis explores the origin of the improved accuracy provided by the more complex kinetics mechanism. It is shown that the reactions responsible for the generation of the explosive time scale differ significantly. This is reflected to differences in the length of the chemical and thermal runaways and in the set of the most influential species.
dc.description.sponsorshipThe support by the CCRC/KAUST 1975-03 CCF Subaward Agreement is gratefully acknowledged.
dc.publisherElsevier BV
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S0016236118304150
dc.relation.urlhttps://www.sciencedirect.com/science/article/pii/S0016236118304150
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Fuel. 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 Fuel, 11 March 2018. DOI: 10.1016/j.fuel.2018.03.025. © 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.subjectMethane/air autoignition
dc.subjectDetailed chemical kinetics
dc.subjectModel reduction
dc.subjectExplosive time scale
dc.subjectCSP
dc.titleCH4/air homogeneous autoignition: A comparison of two chemical kinetics mechanisms
dc.typeArticle
dc.contributor.departmentChemical Engineering Program
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentCombustion and Pyrolysis Chemistry (CPC) Group
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalFuel
dc.eprint.versionPost-print
dc.contributor.institutionDepartment of Mechanics, School of Applied Mathematics and Physical Sciences, National Technical University of Athens, Athens 15773, Greece
dc.contributor.institutionDepartment of Mechanical Engineering, Khalifa University of Science, Technology and Research, Abu Dhabi 127788, United Arab Emirates
kaust.personTingas, Efstathios Al.
kaust.personSarathy, Mani
kaust.grant.number1975-03
kaust.grant.numberCCRC/KAUST 1975-03
refterms.dateFOA2020-03-11T00:00:00Z
dc.date.published-online2018-03-11
dc.date.published-print2018-07


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