Molecular dynamics simulation of vapor-liquid equilibrium for binary mixtures of HFO-1234yf and HFC-41

Taking refrigerants R1234yf, R41 and their binary mixtures (designated asMixture 1 (0.2509/0.7491), Mixture 2 (0.4936/0.5064) and Mixture 3(0.7487/0.2513) for R1234yf/R41, respectively) as the research objects, themolecular dynamics method is employed to investigate their vapor-liquidequilibrium properties within the temperature range of 273-323K. Moleculardynamics simulations of pure R1234yf and R41 show maximum deviations insaturated vapor pressure of 5.59% and 4.57% respectively. The maximumdeviations of vapor-liquid density are within 10%. The saturated vaporpressure, saturated vapor-liquid density and liquid-phase viscosity of themixtures lie between those of the two pure components. As temperatureincreases, saturated vapor pressure and vapor-phase density increase, whileliquid-phase density decreases. Further analysis of potential and kineticenergy at phase equilibrium indicates Mixture 1 is suitable forlow-temperature and high-efficiency conditions, whereas Mixture 3 formedium-high temperature refrigeration systems with strict environmentalrequirements.