Thermal properties of PEG/MOF-5 regularized nanoporous composite phase change materials: A molecular dynamics simulation

Case Studies in Thermal Engineering

Xinxin Zhang¹  Yanhui Feng¹  Jianrui Zhang²  Daili Feng³  Yuying Yan³  Pei Li³ 

[1] Beijing Key Laboratory of Energy Conservation and Emission Reduction for Metallurgical Industry, School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, 100083, PR China;Corresponding author. School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, PR China.;School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, PR China;

关键词: Polyethylene glycol;    Metal organic frameworks;    Shape stabilized phase change materials;    Melting point;    Latent heat;    Thermal conductivity;   

DOI  :  

来源: DOAJ

【 摘 要 】

In this paper, a metal-organic framework MOF-5 loaded polyethylene glycol (PEG) nanowire was used to form composite phase change material PEG/MOF-5. The molecular dynamics method was used to simulate the thermal conductivity, melting point and latent heat by G-K function and pseudo-supercritical path method, respectively. The results show that the pores of MOF-5 promote the increase of the angle of the PEG main chain and the extension of the helical segment. Therefore, the thermal conductivity of the composite (0.60 W/m·K) is 17.6% and 100% higher than that of the PEG nanowire (0.51 W/m∙K) and the skeleton (about 0.3 W/m∙K), respectively. At the same time, MOF-5 can improve the crystallinity of the PEG to a certain extent. The predicted latent heat of PEG/MOF-5 composite material is as high as 78.4 kJ/kg with a mass filling rate of 50%. This paper explores the mechanism from a microscopic perspective in order to provide models and data for the thermal design of such materials.

【 授权许可】

Unknown