Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid

Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid

In the process of adsorption and separation of fluid molecules on the solid surface of porous nanomaterials, the mutual transformation of thermal energy and surface energy can improve the heat absorption and energy utilization efficiency of circulating working medium. In this study, the adsorption,...

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Main Authors: Qiang Wang, Shengli Tang, Sen Tian, Xiaojian Wei, Tiefeng Peng
Format: Article
Language:English
Published: Hindawi Limited 2019-01-01
Series:Journal of Nanomaterials
Online Access:http://dx.doi.org/10.1155/2019/5154173
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spelling doaj-9bb133a0e4cc42a59535c724344ec3ad2020-11-24T21:48:40ZengHindawi LimitedJournal of Nanomaterials1687-41101687-41292019-01-01201910.1155/2019/51541735154173Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle NanofluidQiang Wang0Shengli Tang1Sen Tian2Xiaojian Wei3Tiefeng Peng4Key Laboratory of Low-Grade Energy Utilization Technology & System, Ministry of Education, College of Energy and Power Engineering, Chongqing University, Chongqing 400044, ChinaKey Laboratory of Low-Grade Energy Utilization Technology & System, Ministry of Education, College of Energy and Power Engineering, Chongqing University, Chongqing 400044, ChinaState Key Laboratory of Coal Mine Disaster Dynamics and Control, Chongqing University, Chongqing 400044, ChinaKey Laboratory of Ministry of Education for Solid Waste Treatment and Resource Recycle, Southwest University of Science and Technology, Mianyang, Sichuan 621010, ChinaKey Laboratory of Ministry of Education for Solid Waste Treatment and Resource Recycle, Southwest University of Science and Technology, Mianyang, Sichuan 621010, ChinaIn the process of adsorption and separation of fluid molecules on the solid surface of porous nanomaterials, the mutual transformation of thermal energy and surface energy can improve the heat absorption and energy utilization efficiency of circulating working medium. In this study, the adsorption, thermal energy storage, and mean square displacement of the minimum energy adsorption configuration of R1234ze in UIO-66 were studied by molecular simulations, including molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations. The results show that the thermal energy storage density of R1234ze/UIO-66 mixed working medium is significantly higher than that of pure working medium in the temperature range of 20 K-140 K. However, the increase rate of thermal energy storage density decreases significantly as temperature rises, and the mean square displacement and diffusion coefficient increase with increasing temperature.http://dx.doi.org/10.1155/2019/5154173
collection DOAJ
language English
format Article
sources DOAJ
author Qiang Wang
Shengli Tang
Sen Tian
Xiaojian Wei
Tiefeng Peng
spellingShingle Qiang Wang
Shengli Tang
Sen Tian
Xiaojian Wei
Tiefeng Peng
Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid
Journal of Nanomaterials
author_facet Qiang Wang
Shengli Tang
Sen Tian
Xiaojian Wei
Tiefeng Peng
author_sort Qiang Wang
title Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid
title_short Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid
title_full Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid
title_fullStr Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid
title_full_unstemmed Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid
title_sort molecular simulations of adsorption and thermal energy storage of mixed r1234ze/uio-66 nanoparticle nanofluid
publisher Hindawi Limited
series Journal of Nanomaterials
issn 1687-4110
1687-4129
publishDate 2019-01-01
description In the process of adsorption and separation of fluid molecules on the solid surface of porous nanomaterials, the mutual transformation of thermal energy and surface energy can improve the heat absorption and energy utilization efficiency of circulating working medium. In this study, the adsorption, thermal energy storage, and mean square displacement of the minimum energy adsorption configuration of R1234ze in UIO-66 were studied by molecular simulations, including molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations. The results show that the thermal energy storage density of R1234ze/UIO-66 mixed working medium is significantly higher than that of pure working medium in the temperature range of 20 K-140 K. However, the increase rate of thermal energy storage density decreases significantly as temperature rises, and the mean square displacement and diffusion coefficient increase with increasing temperature.
url http://dx.doi.org/10.1155/2019/5154173
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AT shenglitang molecularsimulationsofadsorptionandthermalenergystorageofmixedr1234zeuio66nanoparticlenanofluid
AT sentian molecularsimulationsofadsorptionandthermalenergystorageofmixedr1234zeuio66nanoparticlenanofluid
AT xiaojianwei molecularsimulationsofadsorptionandthermalenergystorageofmixedr1234zeuio66nanoparticlenanofluid
AT tiefengpeng molecularsimulationsofadsorptionandthermalenergystorageofmixedr1234zeuio66nanoparticlenanofluid
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