Adsorption and Self-Diffusion of R32/R1234yf in MOF-200 Nanoparticles by Molecular Dynamics Simulation

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