In the process of adsorption and separation of fluid molecules on the solid surface of porous nanomaterials, the mutual\ntransformation of thermal energy and surface energy can improve the heat absorption and energy utilization efficiency of\ncirculating working medium. In this study, the adsorption, thermal energy storage, and mean square displacement of the\nminimum energy adsorption configuration of R1234ze in UIO-66 were studied by molecular simulations, including molecular\ndynamics (MD) and grand canonical Monte Carlo (GCMC) simulations. The results show that the thermal energy storage\ndensity of R1234ze/UIO-66 mixed working medium is significantly higher than that of pure working medium in the\ntemperature range of 20 K-140 K. However, the increase rate of thermal energy storage density decreases significantly as\ntemperature rises, and the mean square displacement and diffusion coefficient increase with increasing temperature.
Loading....