Thermal Energy Storage of R1234yf, R1234ze, R134a and R32/MOF-74 Nanofluids: A Molecular Simulation Study

Materials (Basel). 2018 Jul 8;11(7):1164. doi: 10.3390/ma11071164.

Abstract

Thermal energy storage can be carried out by working fluid adsorbing and desorbing in porous materials. In this paper, the energy storage properties of four refrigerants, R1234yf, R1234ze, R134a and R32, with M-metal organic framework (MOF)-74 (M = Zn, Ni, Mg, Co) nanoparticles are investigated using molecular dynamics simulations and grand canonical Monte Carlo simulations. The results show that M-MOF-74 can adsorb more R32 and R134a than R1234yf and R1234ze, as the molecular structures of R32 and R134a are smaller than those of R1234yf and R1234ze. Mg-MOF-74 owns a higher adsorbability than the other MOFs. The energy storage properties of the studied refrigerants can be enhanced when the sum of thermodynamic energy change of MOF particles and the desorption heat of fluid in MOFs is larger than the enthalpy change of pure organic fluid. The R1234yf/M-MOF-74 (M = Co, Mg, Ni) nanofluid can store more energy than other refrigerants/M-MOF-74 (M = Co, Mg, Ni) nanofluid. The energy storage enhancement ratios of R1234yf, R1234ze and R134a with Mg-MOF-74 nanoparticles are higher than those of other M-MOF-74 (M = Co, Ni, Zn) materials.

Keywords: adsorption; energy storage; metal organic framework; molecular simulation; refrigerant.