Molecular simulation of energy storage properties of R32, R134A and R1234YF in MOF-5 AND MOF-177

Author:

Liu Juan1,Cai Ping1,Xu Hongmei2ORCID

Affiliation:

1. Chongqing University of Science and Technology, Chongqing 401331, P. R. China

2. Chongqing Medical and Pharmaceutical College, Chongqing 401331, P. R. China

Abstract

The addition of porous nanomaterials is promising to enhance the thermal energy property of the organic working fluid. In this paper, molecular dynamics (MD) and grand canonical Monte Carlo simulations are employed to investigate the adsorption and energy storage properties of R32, R134a and R1234yf in MOF-5 and MOF-177. The results showed that the working fluid with small molecular size is easier to absorb and desorb in MOF structure. Besides, the MOF with larger specific surface area and pore size can absorb more organic working fluids, which can result in the larger enhancement of energy storage.

Funder

Natural Science Foundation of Chongqing

Chongqing Science and Technology Commission

Publisher

World Scientific Pub Co Pte Ltd

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

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