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

Córdoba, Oscar y Arias-Zugasti, Manuel . (2022) Accurate and efficient calculation of multicomponent thermal diffusion coefficients and partial thermal conductivity based on kinetic theory. Combustion and Flame, 244 (2022) 112202

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Título Accurate and efficient calculation of multicomponent thermal diffusion coefficients and partial thermal conductivity based on kinetic theory
Autor(es) Córdoba, Oscar
Arias-Zugasti, Manuel
Materia(s) Física
Abstract The 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.
Editor(es) Elsevier
Fecha 2022-03-25
Formato application/pdf
Identificador bibliuned:DptoFMyF-FCIE-Articulos-Marias-0002
http://e-spacio.uned.es/fez/view/bibliuned:DptoFMyF-FCIE-Articulos-Marias-0002
DOI - identifier https://doi.org/10.1016/j.combustflame.2022.112202
ISSN - identifier 0010-2180
Nombre de la revista Combustion and Flame
Número de Volumen 244
Página inicial 1
Página final 15
Publicado en la Revista Combustion and Flame, 244 (2022) 112202
Idioma eng
Versión de la publicación acceptedVersion
Tipo de recurso Article
Derechos de acceso y licencia http://creativecommons.org/licenses/by-nc-nd/4.0
info:eu-repo/semantics/openAccess
Tipo de acceso Acceso abierto
Notas adicionales This is the Accepted Manuscript of an article published by ELSEVIER in "Combustion and Flame" on october 2022, available online: https://doi.org/10.1016/j.combustflame.2022.112202
Notas adicionales Este es el manuscrito aceptado de un artículo publicado por ELSEVIER en "Combustion and Flame" en octubre 2022, disponible en línea: https://doi.org/10.1016/j.combustflame.2022.112202

 
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Creado: Tue, 23 Aug 2022, 19:38:18 CET