Thermophysical properties and condensation of R514A through molecular dynamics simulation

Abstract

Hydrofluoroolefins are the latest (4th) generation of working fluids (refrigerants) due to zero ozone depletion and very low global warming potential. The R514A is a mixture of R1336mzz(Z) (74.7 %) and R1130(E) (25.3 %) and is considered a class of Hydrofluoroolefins. In this paper, the art of molecular dynamics simulation has been executed to evaluate the dynamical and thermophysical properties of R514A during the condensation process. The effects of temperatures and pressures on dynamical, thermophysical properties and condensation time are computed, analyzed and discussed. Further, the effects of the simulation time step on the properties mentioned above are computed. The simulation outcomes explained that the condensation time significantly depends on condensation temperatures and pressure values. For example, little time is required to complete the condensation cycle of R514A at lower temperatures and higher pressure, and vice versa. The changes in the structure during the condensation process also examine the in-term bonding and nonbinding interaction of R514A in vapor and liquid phases. The mean squared displacement and velocity autocorrelation function explained the average diffusion for the molecules of R1336mzz(Z) and R1130(E), and increased with respect to simulation time with increasing temperature and pressure. The obtained simulation outcomes are reliable, accurate, and in excellent agreement with previously available simulation data. Current investigations indicated that the refrigerant R514A considering sustainable and eco-friendly in numerous applications in the replacement of R123.

Keywords

• Condensation
• Refrigerants
• Molecular dynamics simulations
• Thermophysical properties