Molecular Dynamics Simulations of Homogeneous Nucleation of R1233zd(E) Refrigerant

R1233zd(E) (1-chloro-3,3,3-trifluoroprop-1-ene) is a potential alternative refrigerant for vapor compression refrigeration due to its advantages of zero ozone depletion potential (ODP), low global warming potential (GWP), non-toxic and non-flammable, etc. In this paper, molecular dynamics simulations have been employed to study the vapor-liquid nucleation processes of R1233zd(E) in vapor compression refrigeration system. The variation of energy, radial distribution functions, density and isobaric heat capacity of R1233zd(E) during the vapor-liquid nucleation processes were analyzed. The computed densities of R1233zd(E) both in vapor and liquid phases agree well with the values in literature, which verifies the reliability of our simulation method.