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dc.contributor.authorHuan, Wenlin
dc.contributor.authorZhao, Qian
dc.contributor.authorHuang, Zuohua
dc.contributor.authorCurran, Henry J.
dc.contributor.authorZhang, Yingjia
dc.date.accessioned2021-09-15T08:29:56Z
dc.date.issued2020-09-14
dc.identifier.citationHuang, Wenlin, Zhao, Qian, Huang, Zuohua, Curran, Henry J., & Zhang, Yingjia. (2021). A kinetics and dynamics study on the auto-ignition of dimethyl ether at low temperatures and low pressures. Proceedings of the Combustion Institute, 38(1), 601-609. doi: https://doi.org/10.1016/j.proci.2020.07.050en_IE
dc.identifier.issn1540-7489
dc.identifier.urihttp://hdl.handle.net/10379/16955
dc.description.abstractThough the combustion chemistry of dimethyl ether (DME) has been widely investigated over the past decades, there remains a dearth of ignition data that examines the low-temperature, low-pressure chemistry of DME. In this study, DME/`air¿ mixtures at various equivalence ratios from lean (0.5) to extremely rich (5.0) were ignited behind reflected shock waves at a fixed pressure (3.0 atm) over the temperature range 625¿1200¿K. The ignition behavior is different from that at high-pressures, with a repeatable ignition delay time fall-off feature observed experimentally in the temperature transition zone from the negative temperature coefficient (NTC) regime to the high-temperature regime. This could not be reproduced using available kinetic mechanisms as conventionally homogeneous ignition simulations. The fall-off behavior shows strong equivalence ratio dependence and disappears completely at an equivalence ratio of 5.0. A local ignition kernel postulate was implemented numerically to quantifiably examine the inhomogeneous premature ignition. At low temperature, no pre-ignition occurs in the mixture. A conspicuous discrepancy was observed between the measurements and constrained UV simulations at temperatures beyond the NTC regime. A third O2 addition reaction sub-set was incorporated into AramcoMech 3.0, together with related species thermochemistry calculated using the G3/G4/CBS-APNO compound method, to explore the low-temperature deviation. The new reaction class does not influence the model predictions in IDTs, but the updated thermochemistry does. Sensitivity analyses indicate that the decomposition of hydroperoxy-methylformate plays a critical role in improving the low-temperature oxidation mechanism of DME but unfortunately, the thermal rate coefficient has never been previously investigated. Further experimental and theoretical endeavors are required to attain holistic quantitative chemical kinetics based on our understanding of the low-temperature chemistry of DME.en_IE
dc.description.sponsorshipFinancial support from the National Natural Science Foundation of China (No. 91741115 and 51888103) and Shanxi National Science Foundation (2018JC-002) is acknowledged.en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherElsevieren_IE
dc.relation.ispartofProceedings Of The Combustion Instituteen
dc.rightsCC BY-NC-ND 3.0 IE
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/3.0/ie/
dc.subjectAuto-ignitionen_IE
dc.subjectPre-ignitionen_IE
dc.subjectHot spoten_IE
dc.subjectLow-temperature chemistryen_IE
dc.subjectDimethyl etheren_IE
dc.titleA kinetics and dynamics study on the auto-ignition of dimethyl ether at low temperatures and low pressuresen_IE
dc.typeArticleen_IE
dc.date.updated2021-09-14T07:25:08Z
dc.identifier.doi10.1016/j.proci.2020.07.050
dc.local.publishedsourcehttps://doi.org/10.1016/j.proci.2020.07.050en_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funderNational Natural Science Foundation of Chinaen_IE
dc.contributor.funderShanxi National Science Foundationen_IE
dc.description.embargo2022-09-14
dc.internal.rssid26712128
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
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