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dc.contributor.authorRamalingam, Ajoy
dc.contributor.authorPanigrahy, Snehasish
dc.contributor.authorFenard, Yann
dc.contributor.authorCurran, Henry J.
dc.contributor.authorHeufer, Karl Alexander
dc.date.accessioned2021-01-08T15:18:15Z
dc.date.issued2020-10-21
dc.identifier.citationRamalingam, Ajoy, Panigrahy, Snehasish, Fenard, Yann, Curran, Henry, & Heufer, Karl Alexander. (2021). A chemical kinetic perspective on the low-temperature oxidation of propane/propene mixtures through experiments and kinetic analyses. Combustion and Flame, 223, 361-375. doi:https://doi.org/10.1016/j.combustflame.2020.10.020en_IE
dc.identifier.issn0010-2180
dc.identifier.urihttp://hdl.handle.net/10379/16443
dc.description.abstractOur understanding of fuel oxidation has improved with rigorous experimental and theoretical investigations being performed in recent years. As investigation methods evolve, our understanding of fundamental fuel chemistry advances. This process allows us to revisit and improve our existing chemical kinetic models. Propane and propene have been studied in various facilities at different conditions; however, the interaction of these two species has not been explored well. These two species play a crucial role in the oxidation of larger hydrocarbons and constitute a significant fraction of liquefied petroleum gas. The current study involves an experimental investigation of ignition delay time measurements for neat propene and propane/propene (50%/50%) mixtures in a rapid compression machine for a range of pressures (20-80 bar). These auto-ignition experiments are complemented by the measurement of stable intermediate species mole fraction profiles at 750 K for the non-diluted stoichiometric condition at 40 bar and 50 bar. The experimental output from this study has contributed to the development of NUIGMech1.0 at high-pressure conditions for mixtures that are relevant to engine applications. NUIGMech1.0 is utilized for the kinetic analysis, and its performance is also compared with two other relevant mechanisms. The kinetic analysis is used to understand the fundamental chemistry controlling fuel oxidation and provide updates of the chemical kinetic mechanism. Additionally, the critical reaction pathways and sensitive reactions that lead to the intermediate species that control reactivity are explained in detail. It is found that cross-reactions from both the propane and propene sub-mechanisms play a crucial role in controlling the reactivity of the mixtures. NUIGMech1.0 captures the reactivity and speciation data for the neat components and shows good predictions of the mixtures at the conditions studied. (C) 2020 The Combustion Institute. Published by Elsevier Inc. All rights reserved.en_IE
dc.description.sponsorshipThe authors at Physico-Chemical Fundamentals of Combustion (PCFC), RWTH Aachen University, would like to recognize the funding support from the German Research Foundation (Deutsche Forschungsgemeinschaft, DFG) through the project number – 322460823 (HE7599/2-1). The authors at Combustion chemistry center (C3), NUI Galway, would like to acknowledge the Science Foundation Ireland for funding via project numbers 15/IA/3177 and 16/SP/3829.en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherElsevieren_IE
dc.relation.ispartofCombustion And Flameen
dc.subjectIGNITION DELAY-TIMEen_IE
dc.subjectLAMINAR BURNING VELOCITIESen_IE
dc.subjectHYDROGEN-ATOM ABSTRACTIONen_IE
dc.subjectRAPID COMPRESSION MACHINEen_IE
dc.subjectRATE CONSTANTSen_IE
dc.subjectSHOCK-TUBEen_IE
dc.subjectSPECIES MEASUREMENTen_IE
dc.subjectPROPENE OXIDATIONen_IE
dc.subjectFLAME SPEEDSen_IE
dc.subjectN-HEPTANEen_IE
dc.titleA chemical kinetic perspective on the low-temperature oxidation of propane/propene mixtures through experiments and kinetic analysesen_IE
dc.typeArticleen_IE
dc.date.updated2021-01-07T11:02:24Z
dc.identifier.doi10.1016/j.combustflame.2020.10.020
dc.local.publishedsourcehttps://doi.org/10.1016/j.combustflame.2020.10.020en_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funderGerman Research Foundationen_IE
dc.contributor.funderScience Foundation Irelanden_IE
dc.description.embargo2022-10-21
dc.internal.rssid24253785
dc.local.contactHenry Curran, Dept Of Chemistry, Room 215, Arts/Science Building, Nui Galway. 3856 Email: henry.curran@nuigalway.ie
dc.local.copyrightcheckedYes
dc.local.versionACCEPTED
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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