Abstract
The thermophysical properties of a refrigerant can be modified via adding metal organic frameworks (MOF) to it. Understanding the adsorption−diffusion process of the mixture in MOFs at the molecular level is important to further improve the efficiency of the organic Rankine cycle. The adsorption and diffusion of R32/R1234yf in MOF-200 was investigated by molecular dynamics simulation in the present work. The results show that the number of adsorbed molecules of R32 in MOF-200 per unit mass is higher than that of R1234yf in the pure fluid adsorption system. The adsorption capacity of the mixture is lower than that of a pure working medium due to competitive adsorption. For both pure and mixed refrigerants, the adsorption heat of R32 in MOF-200 is smaller than that of R1234yf. Compared with R1234yf, the self-diffusion coefficient of R32 in MOF-200 is larger because of the lower diffusion activation energy.