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Thermal Conductivity of Ordered Porous Structures Coupling Gas and Solid Phases: A Molecular Dynamics Study

Heat transfer in a porous solid−gas mixture system is an important process for many industrial applications. Optimization design of heat insulation material is very important in many fields such as pipe insulation, thermal protection of spacecraft, and building insulation. Understanding the micro-me...

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Autores principales: Niu, Dong, Gao, Hongtao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8123498/
https://www.ncbi.nlm.nih.gov/pubmed/33925901
http://dx.doi.org/10.3390/ma14092221
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author Niu, Dong
Gao, Hongtao
author_facet Niu, Dong
Gao, Hongtao
author_sort Niu, Dong
collection PubMed
description Heat transfer in a porous solid−gas mixture system is an important process for many industrial applications. Optimization design of heat insulation material is very important in many fields such as pipe insulation, thermal protection of spacecraft, and building insulation. Understanding the micro-mechanism of the solid−gas coupling effect is necessary for the design of insulation material. The prediction of thermal conductivity is difficult for some kinds of porous materials due to the coupling impact of solid and gas. In this study, the Grand Canonical Monte Carlo method (GCMC) and molecular dynamics simulation (MD) are used to investigate the thermal conductivity for the ordered porous structures of intersecting square rods. The effect of gas concentration (pressure) and solid−gas interaction on thermal conductivity is revealed. The simulation results show that for different framework structures the pressure effect on thermal conductivity presents an inconsistent mode which is different from previous studies. Under the same pressure, the thermal conductivity is barely changed for different interactions between gas and solid phases. This study provides the feasibility for the direct calculation of thermal conductivity for porous structures coupling gas and solid phases using molecular dynamics simulation. The heat transfer in porous structures containing gas could be understood on a fundamental level.
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spelling pubmed-81234982021-05-16 Thermal Conductivity of Ordered Porous Structures Coupling Gas and Solid Phases: A Molecular Dynamics Study Niu, Dong Gao, Hongtao Materials (Basel) Article Heat transfer in a porous solid−gas mixture system is an important process for many industrial applications. Optimization design of heat insulation material is very important in many fields such as pipe insulation, thermal protection of spacecraft, and building insulation. Understanding the micro-mechanism of the solid−gas coupling effect is necessary for the design of insulation material. The prediction of thermal conductivity is difficult for some kinds of porous materials due to the coupling impact of solid and gas. In this study, the Grand Canonical Monte Carlo method (GCMC) and molecular dynamics simulation (MD) are used to investigate the thermal conductivity for the ordered porous structures of intersecting square rods. The effect of gas concentration (pressure) and solid−gas interaction on thermal conductivity is revealed. The simulation results show that for different framework structures the pressure effect on thermal conductivity presents an inconsistent mode which is different from previous studies. Under the same pressure, the thermal conductivity is barely changed for different interactions between gas and solid phases. This study provides the feasibility for the direct calculation of thermal conductivity for porous structures coupling gas and solid phases using molecular dynamics simulation. The heat transfer in porous structures containing gas could be understood on a fundamental level. MDPI 2021-04-26 /pmc/articles/PMC8123498/ /pubmed/33925901 http://dx.doi.org/10.3390/ma14092221 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Niu, Dong
Gao, Hongtao
Thermal Conductivity of Ordered Porous Structures Coupling Gas and Solid Phases: A Molecular Dynamics Study
title Thermal Conductivity of Ordered Porous Structures Coupling Gas and Solid Phases: A Molecular Dynamics Study
title_full Thermal Conductivity of Ordered Porous Structures Coupling Gas and Solid Phases: A Molecular Dynamics Study
title_fullStr Thermal Conductivity of Ordered Porous Structures Coupling Gas and Solid Phases: A Molecular Dynamics Study
title_full_unstemmed Thermal Conductivity of Ordered Porous Structures Coupling Gas and Solid Phases: A Molecular Dynamics Study
title_short Thermal Conductivity of Ordered Porous Structures Coupling Gas and Solid Phases: A Molecular Dynamics Study
title_sort thermal conductivity of ordered porous structures coupling gas and solid phases: a molecular dynamics study
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8123498/
https://www.ncbi.nlm.nih.gov/pubmed/33925901
http://dx.doi.org/10.3390/ma14092221
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