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Preference Parameters for the Calculation of Thermal Conductivity by Multiparticle Collision Dynamics

Calculation of the thermal conductivity of nanofluids by molecular dynamics (MD) is very common. Regrettably, general MD can only be employed to simulate small systems due to the huge computation workload. Instead, the computation workload can be considerably reduced due to the coarse-grained fluid...

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Detalles Bibliográficos
Autores principales: Wang, Ruijin, Zhang, Zhen, Li, Long, Zhu, Zefei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8535037/
https://www.ncbi.nlm.nih.gov/pubmed/34682049
http://dx.doi.org/10.3390/e23101325
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author Wang, Ruijin
Zhang, Zhen
Li, Long
Zhu, Zefei
author_facet Wang, Ruijin
Zhang, Zhen
Li, Long
Zhu, Zefei
author_sort Wang, Ruijin
collection PubMed
description Calculation of the thermal conductivity of nanofluids by molecular dynamics (MD) is very common. Regrettably, general MD can only be employed to simulate small systems due to the huge computation workload. Instead, the computation workload can be considerably reduced due to the coarse-grained fluid when multiparticle collision dynamics (MPCD) is employed. Hence, such a method can be utilized to simulate a larger system. However, the selection of relevant parameters of MPCD noticeably influences the calculation results. To this end, parameterization investigations for various bin sizes, number densities, time-steps, rotation angles and temperatures are carried out, and the influence of these parameters on the calculation of thermal conductivity are analyzed. Finally, the calculations of thermal conductivity for liquid argon, water and Cu-water nanofluid are performed, and the errors compared to the theoretical values are 3.4%, 1.5% and 1.2%, respectively. This proves that the method proposed in the present work for calculating the thermal conductivity of nanofluids is applicable.
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spelling pubmed-85350372021-10-23 Preference Parameters for the Calculation of Thermal Conductivity by Multiparticle Collision Dynamics Wang, Ruijin Zhang, Zhen Li, Long Zhu, Zefei Entropy (Basel) Article Calculation of the thermal conductivity of nanofluids by molecular dynamics (MD) is very common. Regrettably, general MD can only be employed to simulate small systems due to the huge computation workload. Instead, the computation workload can be considerably reduced due to the coarse-grained fluid when multiparticle collision dynamics (MPCD) is employed. Hence, such a method can be utilized to simulate a larger system. However, the selection of relevant parameters of MPCD noticeably influences the calculation results. To this end, parameterization investigations for various bin sizes, number densities, time-steps, rotation angles and temperatures are carried out, and the influence of these parameters on the calculation of thermal conductivity are analyzed. Finally, the calculations of thermal conductivity for liquid argon, water and Cu-water nanofluid are performed, and the errors compared to the theoretical values are 3.4%, 1.5% and 1.2%, respectively. This proves that the method proposed in the present work for calculating the thermal conductivity of nanofluids is applicable. MDPI 2021-10-11 /pmc/articles/PMC8535037/ /pubmed/34682049 http://dx.doi.org/10.3390/e23101325 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
Wang, Ruijin
Zhang, Zhen
Li, Long
Zhu, Zefei
Preference Parameters for the Calculation of Thermal Conductivity by Multiparticle Collision Dynamics
title Preference Parameters for the Calculation of Thermal Conductivity by Multiparticle Collision Dynamics
title_full Preference Parameters for the Calculation of Thermal Conductivity by Multiparticle Collision Dynamics
title_fullStr Preference Parameters for the Calculation of Thermal Conductivity by Multiparticle Collision Dynamics
title_full_unstemmed Preference Parameters for the Calculation of Thermal Conductivity by Multiparticle Collision Dynamics
title_short Preference Parameters for the Calculation of Thermal Conductivity by Multiparticle Collision Dynamics
title_sort preference parameters for the calculation of thermal conductivity by multiparticle collision dynamics
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8535037/
https://www.ncbi.nlm.nih.gov/pubmed/34682049
http://dx.doi.org/10.3390/e23101325
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AT zhuzefei preferenceparametersforthecalculationofthermalconductivitybymultiparticlecollisiondynamics