Molecular dynamics simulation of thermophysical properties and condensation process of R1233zd(E)

Abstract

Abstract R1233zd(E) is one promising alternative refrigerant with excellent environmental-friendly performance. In this paper, the molecular dynamics simulation method was used to study the density, heat capacity and homogeneous condensation nucleation process of R1233zd(E) from a superheated state to different supercooled states aiming to provide information for its application. The higher condensation pressure and lower condensation temperature was found to be favorable to increase condensation rate of R1233zd(E). During the nucleation process, the molecular distribution of R1233zd(E) becomes uneven; meanwhile, the potential energy has a sharp drop which is mostly caused by the drop of van der Waals energy. The faster condensation rate of R1233zd(E) compared to other three HFOs R1234ze(E), R1243zf and R1234yf is helpful to improve refrigeration efficiency.