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dc.contributor.authorWang, Quan-De
dc.contributor.authorPanigrahy, Snehasish
dc.contributor.authorYang, Shiyou
dc.contributor.authorMartinez, Sergio
dc.contributor.authorLiang, Jinhu
dc.contributor.authorCurran, Henry J.
dc.identifier.citationWang, Quan-De, Panigrahy, Snehasish, Yang, Shiyou, Martinez, Sergio, Liang, Jinhu, & Curran, Henry J. (2021). Development of Multipurpose Skeletal Core Combustion Chemical Kinetic Mechanisms. Energy & Fuels, 35(8), 6921-6927. doi: 10.1021/acs.energyfuels.1c00158en_IE
dc.description.abstractCore combustion kinetic mechanisms for small C0¿C4 fuel molecules are not only of the utmost importance in understanding their individual combustion properties but are also the foundation for the development of kinetic models of real fuels. This brief communication intends to develop efficient skeletal core combustion mechanisms for the oxidation of C0¿C3/C4 fuels using the recently developed NUIGMech1.1 as the detailed mechanism. A combination of different skeletal mechanism reduction methods is employed to produce two skeletal mechanisms for C0¿C3 and C0¿C4 fuels, separately. The skeletal mechanisms have been validated by comparing against a wide range of combustion targets, and the maximum error in ignition delay time predictions is less than 10% for all of the targeted fuels. The C0¿C3 skeletal mechanism is also employed as the core mechanism in the development of a five-component skeletal mechanism for real gasoline. The developed skeletal mechanisms should represent a valuable resource for mechanism development and kinetic modeling within the combustion community.en_IE
dc.description.sponsorshipThe authors acknowledge financial support by the Fundamental Research Funds for the Central Universities of China (2020ZDPYMS05), the Science Foundation Ireland under Grants 15/IA/3177 and 16/SP/3829, and the International Scientific Cooperation Projects of Key R&D Programs in Shanxi Province via 201803D421101.en_IE
dc.publisherAmerican Chemical Societyen_IE
dc.relation.ispartofEnergy And Fuelsen
dc.rightsAttribution 4.0 International (CC BY 4.0)
dc.subjectRedox reactionsen_IE
dc.subjectKinetic modelingen_IE
dc.subjectFossil fuelsen_IE
dc.titleDevelopment of multipurpose skeletal core combustion chemical kinetic mechanismsen_IE
dc.contributor.funderFundamental Research Funds for the Central Universitiesen_IE
dc.contributor.funderScience Foundation Irelanden_IE
dc.contributor.funderInternational Scientific Cooperation Projects of Key R&D Programs in Shanxi Provinceen_IE
dc.local.contactHenry Curran, Dept Of Chemistry, Room 215, Arts/Science Building, Nui Galway. 3856 Email:
dcterms.projectinfo:eu-repo/grantAgreement/SFI/SFI Investigator Programme/15/IA/3177/IE/Combustion Chemistry for Sustainable Fuel Utilization/en_IE

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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)