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dc.contributor.authorAlexandrino, Katiuska
dc.contributor.authorAlzueta, María U.
dc.contributor.authorCurran, Henry J.
dc.date.accessioned2019-01-10T15:34:18Z
dc.date.available2019-01-10T15:34:18Z
dc.date.issued2017-11-05
dc.identifier.citationAlexandrino, Katiuska, Alzueta, María U., & Curran, Henry J. (2018). An experimental and modeling study of the ignition of dimethyl carbonate in shock tubes and rapid compression machine. Combustion and Flame, 188, 212-226. doi: https://doi.org/10.1016/j.combustflame.2017.10.001en_IE
dc.identifier.issn1556-2921
dc.identifier.urihttp://hdl.handle.net/10379/14783
dc.description.abstractIgnition delay times of dimethyl carbonate DMC were measured using low- and high-pressure shock tubes and in a rapid compression machine (RCM). In this way, the effect of fuel concentration (0.75% and 1.75%), pressure (2.0, 20, and 40 atm) and equivalence ratio (0.5, 1.0, 2.0) on ignition delay times was studied experimentally and computationally using a chemical kinetic model. Experiments cover the temperature range of 795-1585 K. Several models from the literature were used to perform simulations, thus their performances to predict the present experimental data was examined. Furthermore, the effect of the thermodynamic data of the CH3O(C=O) (O) over dot radical species and the fuel consumption reaction CH3O(C=O)OCH3 reversible arrow CH3O(C=O)(O) over dot+(C) over dotH(3), on the simulations of the ignition delay times of DMC was analyzed using the different models. Reaction path and sensitivity analyses were carried out with a final recommended model to present an in-depth analysis of the oxidation of DMC under the different conditions studied. The final model uses AramcoMech 2.0 as the base mechanism and includes a.DMC sub mechanism available in the literature in which the reaction CH3O(C=O)OCH3 reversible arrow CH3O(C=O)(O) over dot+(C) over dotH(3)has been modified. Good agreement is observed between calculated and experimental data. The model was also validated using available experimental data from flow reactors and opposed flow diffusion and laminar premixed flame studies showing an overall good performance. (C) 2017 The Combustion Institute. Published by Elsevier Inc. All rights reserved.en_IE
dc.description.sponsorshipThe authors acknowledge the financial support of Saudi Aramco for the research reported in this publication and to MINECO (EEBB-I-16-11445, CTQ2015-65226). K. Alexandrino also acknowledges MINECO for the pre-doctoral Grant awarded (BES-2013-063049).en_IE
dc.formatapplication/pdfen_IE
dc.language.isoenen_IE
dc.publisherElsevieren_IE
dc.relation.ispartofCombustion And Flameen
dc.subjectShock tubeen_IE
dc.subjectRapid compression machineen_IE
dc.subjectDimethyl carbonateen_IE
dc.subjectOxidationen_IE
dc.subjectKinetic modelen_IE
dc.subjectHIGH-TEMPERATUREen_IE
dc.subjectTHERMAL-DECOMPOSITIONen_IE
dc.subjectOXYGENATED FUELSen_IE
dc.subjectOXIDATIONen_IE
dc.subjectMIXTURESen_IE
dc.subjectAUTOIGNITIONen_IE
dc.subjectHYDROCARBONen_IE
dc.subjectPYROLYSISen_IE
dc.subjectFLAMESen_IE
dc.subjectSOOTen_IE
dc.titleAn experimental and modeling study of the ignition of dimethyl carbonate in shock tubes and rapid compression machineen_IE
dc.typeArticleen_IE
dc.date.updated2019-01-08T10:58:05Z
dc.identifier.doi10.1016/j.combustflame.2017.10.001
dc.local.publishedsourcehttps://doi.org/10.1016/j.combustflame.2017.10.001en_IE
dc.description.peer-reviewedpeer-reviewed
dc.contributor.funderSaudi Aramcoen_IE
dc.contributor.funderMinisterio de Economía y Competitividaden_IE
dc.internal.rssid13962241
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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