Molecular dynamics simulations of homogeneous condensation and thermophysical properties of HFO1123 and its binary blends with HFC134a at 273.15 K to 298.15 K

The hydrofluoroolefin (HFO) refrigerant R1123 (1,1,2-trifluoroethene) and its blends with R134a are excellent alternative choices for refrigeration systems, considering environmental issues and system performance. Molecular dynamics (MD) simulations were performed to investigate the homogeneous condensation process and to predict the density and isobaric heat capacity of pure R1123 and its binary blends with R134a. The condensation rate of pure R1123 and the (R1123+R134a) blends was higher at lower condensation temperatures. The vapor molecules went through a rapid phase transition to a subcooled liquid state during a particular time period, and the potential energy of the molecular systems was drastically reduced at this time. During condensation, clusters of molecules were initially formed, and they subsequently aggregated to develop a condensate droplet. The liquid density and isobaric heat capacity of pure R1123 and its four blends were predicted for the temperature range of 273.15 K to 298.15 K.

Automated summary

Molecular dynamics simulations were used to investigate the condensation process of the HFO refrigerant R1123 and its blends with R134a. The condensation rate was found to be higher at lower temperatures, with vapor molecules transitioning rapidly to a subcooled liquid state. The process involved the formation of molecular clusters followed by aggregation into condensate droplets, with predictions made for liquid density and isobaric heat capacity over a temperature range of 273.15 K to 298.15 K.