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dc.contributor.authorLipatnikov, A. N.
dc.contributor.authorSabelnikov, V. A.
dc.contributor.authorHernandez Perez, Francisco
dc.contributor.authorSong, W.
dc.contributor.authorIm, Hong G.
dc.date.accessioned2021-01-13T13:26:03Z
dc.date.available2021-01-13T13:26:03Z
dc.date.issued2020-12-23
dc.date.submitted2020-07-29
dc.identifier.citationLipatnikov, A. N., Sabelnikov, V. A., Hernández-Pérez, F. E., Song, W., & Im, H. G. (2021). Prediction of mean radical concentrations in lean hydrogen-air turbulent flames at different Karlovitz numbers adopting a newly extended flamelet-based presumed PDF. Combustion and Flame, 226, 248–259. doi:10.1016/j.combustflame.2020.12.009
dc.identifier.issn1556-2921
dc.identifier.issn0010-2180
dc.identifier.doi10.1016/j.combustflame.2020.12.009
dc.identifier.urihttp://hdl.handle.net/10754/666894
dc.description.abstractA recent analysis (Lipatnikov et al., 2020) of complex-chemistry direct numerical simulation (DNS) data obtained from lean hydrogen-air flames associated with corrugated-flame (case A), thin-reaction-zone (case B), and broken-reaction-zone (case C) regimes of turbulent burning has shown that the flamelet concept (i) can predict mean concentrations of various species in those flames if the probability density function (PDF) for the fuel-based combustion progress variable c is extracted from the DNS data, but (ii) poorly performs for the mean rate W¯c of product creation. These results suggest applying the concept to evaluation of mean species concentration (but not the mean rate) in combination with another closure relation for W¯c whose predictive capabilities are better. This proposal is developed in the present paper whose focus is placed on studying a new flamelet-based presumed PDF P(c) for predictions of mean concentration of radicals in engineering computational fluid dynamics (CFD) applications. Analysis of the DNS data shows that (i) the flamelet PDF performs well at intermediate values of c in cases A and B, but should be truncated at small and large c, (ii) modeling P(c) in the radical recombination zone (i.e., at large c) is of importance for predicting mean concentrations of H,O, and OH. Accordingly, the flamelet PDF is truncated and combined with a uniform P(c) at large c. Moreover, the mean rate W¯c extracted from the DNS data is used to calibrate the PDF (the rate is considered to be given by another model). Assessment of the approach against the DNS data shows that it well predicts mean density, temperature, and concentrations of reactants, product, and the aforementioned radicals in cases A and B. In case C, the approach performs worse for OandOH at large c¯ and moderately underestimates the mean concentration of H in the entire flame brush.
dc.description.sponsorshipANL gratefully acknowledges the financial support provided by CERC. VAS gratefully acknowledges the financial support provided by ONERA and by the Grant of the Ministry of Education and Science of the Russian Federation (Contract No. 14.G39.31.0001 of 13.02.2017) and by the Ministry of Science and Higher Education of the Russian Federation (Grant agreement of December, 8, 2020 № 075-11-2020-023), TsAGI, the World-Class Research Center “Supersonic”. WS, FEHP, and HGI were sponsored by King Abdullah University of Science and Technology (KAUST). Computational resources for the DNS calculations were provided by the KAUST Supercomputing Laboratory.
dc.publisherElsevier BV
dc.relation.urlhttps://linkinghub.elsevier.com/retrieve/pii/S0010218020305563
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, [226, , (2020-12-23)] DOI: 10.1016/j.combustflame.2020.12.009 . © 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.titlePrediction of mean radical concentrations in lean hydrogen-air turbulent flames at different Karlovitz numbers adopting a newly extended flamelet-based presumed PDF
dc.typeArticle
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentComputational Reacting Flow Laboratory (CRFL)
dc.contributor.departmentMechanical Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.contributor.departmentdClean Combustion Research Center, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia
dc.identifier.journalCombustion and Flame
dc.rights.embargodate2022-12-23
dc.eprint.versionPost-print
dc.contributor.institutionaDepartment of Mechanics and Maritime Sciences, Chalmers University of Technology, Gothenburg 41296 Sweden
dc.contributor.institutionbONERA – The French Aerospace Laboratory, F-91761 Palaiseau, France
dc.contributor.institutioncCentral Aerohydrodynamic Institute (TsAGI), 140180 Zhukovsky, Moscow Region, Russian Federation
dc.identifier.volume226
dc.identifier.pages248-259
kaust.personHernandez Perez, Francisco
kaust.personSong, W.
kaust.personIm, Hong G.
dc.identifier.eid2-s2.0-85098603378
refterms.dateFOA2021-01-14T11:33:21Z
kaust.acknowledged.supportUnitKAUST Supercomputing Laboratory
kaust.acknowledged.supportUnitSupercomputing Laboratory.


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