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Accurate and efficient calculation of multicomponent thermal diffusion coefficients and partial thermal conductivity based on kinetic theory

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dc.contributor.authorCórdoba, Oscar
dc.contributor.authorArias Zugasti, Manuel
dc.date.accessioned2024-05-20T11:28:45Z
dc.date.available2024-05-20T11:28:45Z
dc.date.issued2022-03-25
dc.description.abstractThe calculation of the multicomponent thermal diffusion coefficients and partial thermal conductivity of polyatomic gas mixtures, with large numbers of components, based on the Kinetic Theory of Gases is revisited. The terms involving inelastic collisions and relaxation times for various internal degrees of freedom are considered, in addition to the classical Chapman-Enskog expressions. For polar gases, the resonant exchange of rotational energy is also accounted for. The present work is the natural extension of the algorithms shown in Combust. and Flame 163 (2016) 540-55 for the calculation of the Fick’s law multicomponent diffusion coefficients, of which it makes use. This work presents a new iterative algorithm for the calculation of the multicomponent thermal diffusion coefficients and partial thermal conductivity. This new algorithm has been implemented in the C++ library MuTLib (Multicomponent Transport Library), available for the transport properties calculations in third party applications and included in the additional material of this publication. The algorithm performance improvements are shown in two different flames: a hydrogen premixed flame and a methane diffusion flame. The results are successfully compared against the library package EGLib (Ern-Giovangigli Library, which considers the same physical effects as this work), and to the well known mixture averaged approximation.en
dc.description.versionversión final
dc.identifier.doihttps://doi.org/10.1016/j.combustflame.2022.112202
dc.identifier.issn0010-2180
dc.identifier.urihttps://hdl.handle.net/20.500.14468/12073
dc.journal.titleCombustion and Flame
dc.journal.volume244
dc.language.isoen
dc.publisherElsevier
dc.relation.centerFacultad de Ciencias
dc.relation.departmentFísica Matemática y de Fluídos
dc.rightsAtribución-NoComercial-SinDerivadas 4.0 Internacional
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0
dc.titleAccurate and efficient calculation of multicomponent thermal diffusion coefficients and partial thermal conductivity based on kinetic theoryes
dc.typeartículoes
dc.typejournal articleen
dspace.entity.typePublication
relation.isAuthorOfPublicationd65a2cba-1430-4dd1-8745-f2fe9847b931
relation.isAuthorOfPublication.latestForDiscoveryd65a2cba-1430-4dd1-8745-f2fe9847b931
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