分子動力学法によるHFO系物質の表面張力計算

抄録

HFO(hydrofluoroolefin) refrigerants are drawing worldwide attention as refrigerants that have less impact on global warming than HFC(hydrofluorocarbon) refrigerants. In order to make HFO refrigerants practical, it is necessary to understand the physical properties of the candidate substances. Among them, surface tension is an important parameter in heat transfer. In this study, we calculated the surface tension of the HFO refrigerant R1234yf using the molecular dynamics (MD) simulations. The mean absolute percentage error (MAPE) between simulated surface tension and REFPROP v9.1 data is 38.7% in the calculated temperature range. The relationship between vapor pressure and surface tension, or vapor density and surface tension, is more consistent with REFPROP v9.1 data than that between temperature and surface tension. The MAPE are 8.8% and 14.6%, respectively.