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dc.contributor.authorChatelain, Karl P.
dc.contributor.authorHe, Yizhuo
dc.contributor.authorJavoy, Sandra
dc.contributor.authorMével, Rémy
dc.contributor.authorPetersen, Eric L.
dc.contributor.authorLacoste, Deanna
dc.date.accessioned2020-12-06T06:13:05Z
dc.date.available2020-12-06T06:13:05Z
dc.date.issued2020-12
dc.date.submitted2020-07-04
dc.identifier.citationChatelain, K. P., He, Y., Javoy, S., Mével, R., Petersen, E. L., & Lacoste, D. A. (2020). Current status of the high-temperature kinetic models of silane: Part II. Oxidation. Combustion and Flame. doi:10.1016/j.combustflame.2020.11.028
dc.identifier.issn0010-2180
dc.identifier.doi10.1016/j.combustflame.2020.11.028
dc.identifier.urihttp://hdl.handle.net/10754/666269
dc.description.abstractThe present study is the second part of our work on the current status of high-temperature kinetic models of silane. Except Slakman’s model, all the models tested in the first part of the study, restricted to the pyrolysis dataset, are now compared against a large validation dataset (230 conditions) for silane oxidation. This large validation dataset is composed of both new and literature data, mainly representative of the highly-diluted and high-temperature oxidation of silane with different oxidizers ( and NO) and diluents (Ar and ) over an extensive range of temperature ( = [801– 2955 K]) and pressure ( = [50 – 629 kPa]) conditions. The new experimental data are limited to --Ar mixtures, obtained in a double-diaphragm shock tube equipped with an Atomic Resonance Absorption Spectroscopy (ARAS) detection technique. Experimental results present the temporal evolution of the total absorption signal, considering the absorption of O, Si, and . The performance of the models is assessed based on the same five validation criteria and objective function calculation, as presented in the first part of the study. The model of Chatelain and of Mével present good performances with a global error of 2.4, i.e. meaning an average error of 2.4 fold above the experimental uncertainty, and high fraction (70 %) of criteria predicted within two times the experimental uncertainty. Although the reference reaction models performed better on the oxidation dataset compared to the pyrolysis dataset (part I), their global error is still 50 to 125 % higher than the two most accurate reaction models. Rate of production and sensitivity analyses revealed that the origin of the discrepancy of the least performing models can be attributed to the reaction pathways consuming/producing Si and O atoms and to some kinetic rates that must be updated.
dc.description.sponsorshipPartial support was provided by the King Abdullah University of Science and Technology, through the Center Competitive Fund 2019/2020. RM was supported by the 1000 Young Talent of China program. YH was funded by China Postdoctoral Science Foundation (grant number 2019M650674). The authors are gratefull to Mustapha Fikri, Institut für Verbrennung und Gasdynamik, for providing Hans-Juergen Mick’s PhD thesis manuscript. The experimental part of the study was performed at ICARE-CNRS Orléans. The numerical part of the study (simulation and analyses) was jointly performed at KAUST, Tsinghua, and Texas A&M University.
dc.publisherElsevier BV
dc.relation.urlhttps://linkinghub.elsevier.com/retrieve/pii/S0010218020305307
dc.rightsNOTICE: this is the author’s version of a work that was accepted for publication in Combustion and Flame. 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 Combustion and Flame, [, , (2020-12)] DOI: 10.1016/j.combustflame.2020.11.028 . © 2020. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.titleCurrent status of the high-temperature kinetic models of silane: Part II. Oxidation
dc.typeArticle
dc.contributor.departmentKing Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center (CCRC), Thuwal, 23955-6900, Saudi Arabia.
dc.contributor.departmentMechanical Engineering Program
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalCombustion and Flame
dc.rights.embargodate2022-12-01
dc.eprint.versionPost-print
dc.contributor.institutionCenter for Combustion Energy, Tsinghua University, Beijing, China.
dc.contributor.institutionUniversity of Orléans, Department of Chemistry, 1, Rue de Chartres, BP 6759, 45067 Orléans Cedex 02, France.
dc.contributor.institutionSchool of Vehicle and Mobility, Tsinghua University, Beijing, China.
dc.contributor.institutionDepartment of Mechanical Engineering, Texas A&M University, College Station, TX, USA.
kaust.personChatelain, Karl P.
kaust.personLacoste, Deanna
kaust.grant.numberCCF 2019/2020
dc.date.accepted2020-11-16
refterms.dateFOA2020-12-06T06:13:57Z
kaust.acknowledged.supportUnitCCF


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