CH4/air homogeneous autoignition: A comparison of two chemical kinetics mechanisms

Handle URI:
http://hdl.handle.net/10754/627315
Title:
CH4/air homogeneous autoignition: A comparison of two chemical kinetics mechanisms
Authors:
Tingas, Efstathios Al.; Manias, Dimitris M.; Sarathy, Mani ( 0000-0002-3975-6206 ) ; Goussis, Dimitris A.
Abstract:
Reactions 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program; Clean Combustion Research Center
Citation:
Tingas 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.
Publisher:
Elsevier BV
Journal:
Fuel
KAUST Grant Number:
1975-03; CCRC/KAUST 1975-03
Issue Date:
11-Mar-2018
DOI:
10.1016/j.fuel.2018.03.025
Type:
Article
ISSN:
0016-2361
Sponsors:
The support by the CCRC/KAUST 1975-03 CCF Subaward Agreement is gratefully acknowledged.
Additional Links:
http://www.sciencedirect.com/science/article/pii/S0016236118304150; https://www.sciencedirect.com/science/article/pii/S0016236118304150
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorTingas, Efstathios Al.en
dc.contributor.authorManias, Dimitris M.en
dc.contributor.authorSarathy, Manien
dc.contributor.authorGoussis, Dimitris A.en
dc.date.accessioned2018-03-15T11:28:26Z-
dc.date.available2018-03-15T11:28:26Z-
dc.date.issued2018-03-11en
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.en
dc.identifier.issn0016-2361en
dc.identifier.doi10.1016/j.fuel.2018.03.025en
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.en
dc.description.sponsorshipThe support by the CCRC/KAUST 1975-03 CCF Subaward Agreement is gratefully acknowledged.en
dc.publisherElsevier BVen
dc.relation.urlhttp://www.sciencedirect.com/science/article/pii/S0016236118304150en
dc.relation.urlhttps://www.sciencedirect.com/science/article/pii/S0016236118304150en
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/en
dc.subjectMethane/air autoignitionen
dc.subjectDetailed chemical kineticsen
dc.subjectModel reductionen
dc.subjectExplosive time scaleen
dc.subjectCSPen
dc.titleCH4/air homogeneous autoignition: A comparison of two chemical kinetics mechanismsen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical and Biological Engineering Programen
dc.contributor.departmentClean Combustion Research Centeren
dc.identifier.journalFuelen
dc.eprint.versionPost-printen
dc.contributor.institutionDepartment of Mechanics, School of Applied Mathematics and Physical Sciences, National Technical University of Athens, Athens 15773, Greeceen
dc.contributor.institutionDepartment of Mechanical Engineering, Khalifa University of Science, Technology and Research, Abu Dhabi 127788, United Arab Emiratesen
kaust.authorTingas, Efstathios Al.en
kaust.authorSarathy, Manien
kaust.grant.number1975-03en
kaust.grant.numberCCRC/KAUST 1975-03en
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