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A lattice Boltzmann model for reactive mixtures

A new lattice Boltzmann model for reactive ideal gas mixtures is presented. The model is an extension to reactive flows of the recently proposed multi-component lattice Boltzmann model for compressible ideal gas mixtures with Stefan–Maxwell diffusion for species interaction. First, the kinetic model...

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Detalles Bibliográficos
Autores principales: Sawant, N., Dorschner, B., Karlin, I. V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8403979/
https://www.ncbi.nlm.nih.gov/pubmed/34455843
http://dx.doi.org/10.1098/rsta.2020.0402
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author Sawant, N.
Dorschner, B.
Karlin, I. V.
author_facet Sawant, N.
Dorschner, B.
Karlin, I. V.
author_sort Sawant, N.
collection PubMed
description A new lattice Boltzmann model for reactive ideal gas mixtures is presented. The model is an extension to reactive flows of the recently proposed multi-component lattice Boltzmann model for compressible ideal gas mixtures with Stefan–Maxwell diffusion for species interaction. First, the kinetic model for the Stefan–Maxwell diffusion is enhanced to accommodate a source term accounting for the change in the mixture composition due to chemical reaction. Second, by including the heat of formation in the energy equation, the thermodynamic consistency of the underlying compressible lattice Boltzmann model for momentum and energy allows a realization of the energy and temperature change due to chemical reactions. This obviates the need for ad-hoc modelling with source terms for temperature or heat. Both parts remain consistently coupled through mixture composition, momentum, pressure, energy and enthalpy. The proposed model uses the standard three-dimensional lattices and is validated with a set of benchmarks including laminar burning speed in the hydrogen–air mixture and circular expanding premixed flame. This article is part of the theme issue ‘Progress in mesoscale methods for fluid dynamics simulation’.
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spelling pubmed-84039792022-02-03 A lattice Boltzmann model for reactive mixtures Sawant, N. Dorschner, B. Karlin, I. V. Philos Trans A Math Phys Eng Sci Articles A new lattice Boltzmann model for reactive ideal gas mixtures is presented. The model is an extension to reactive flows of the recently proposed multi-component lattice Boltzmann model for compressible ideal gas mixtures with Stefan–Maxwell diffusion for species interaction. First, the kinetic model for the Stefan–Maxwell diffusion is enhanced to accommodate a source term accounting for the change in the mixture composition due to chemical reaction. Second, by including the heat of formation in the energy equation, the thermodynamic consistency of the underlying compressible lattice Boltzmann model for momentum and energy allows a realization of the energy and temperature change due to chemical reactions. This obviates the need for ad-hoc modelling with source terms for temperature or heat. Both parts remain consistently coupled through mixture composition, momentum, pressure, energy and enthalpy. The proposed model uses the standard three-dimensional lattices and is validated with a set of benchmarks including laminar burning speed in the hydrogen–air mixture and circular expanding premixed flame. This article is part of the theme issue ‘Progress in mesoscale methods for fluid dynamics simulation’. The Royal Society Publishing 2021-10-18 2021-08-30 /pmc/articles/PMC8403979/ /pubmed/34455843 http://dx.doi.org/10.1098/rsta.2020.0402 Text en © 2021 The Authors. https://creativecommons.org/licenses/by/4.0/Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, provided the original author and source are credited.
spellingShingle Articles
Sawant, N.
Dorschner, B.
Karlin, I. V.
A lattice Boltzmann model for reactive mixtures
title A lattice Boltzmann model for reactive mixtures
title_full A lattice Boltzmann model for reactive mixtures
title_fullStr A lattice Boltzmann model for reactive mixtures
title_full_unstemmed A lattice Boltzmann model for reactive mixtures
title_short A lattice Boltzmann model for reactive mixtures
title_sort lattice boltzmann model for reactive mixtures
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8403979/
https://www.ncbi.nlm.nih.gov/pubmed/34455843
http://dx.doi.org/10.1098/rsta.2020.0402
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