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

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