Calculation of the thermodynamic properties of R448A and R449A in a saturation temperature range of 233.15 K to 343.15 K using molecular dynamics simulations

Abstract

R448A, which is a quinary mixture and has a global warming potential (GWP) of 1390, and R449A, which is a quaternary mixture and has a GWP of 1282, have been recommended for commercial refrigeration systems to replace R404A, which has a GWP of 3943 as per EU Regulation No. 517/2014. The thermodynamic properties of R448A and R449A, such as vapor pressure, saturated density, and vapor-liquid coexistence curve with critical points were computed for temperatures ranging from 233.15 K to 343.15 K via molecular dynamics (MD) simulations. The computed vapor pressures of R448A and R449A closely match that of R404A. The MD simulations predict the saturated densities of R448A and R449A very well in the subcritical region. The computed critical points of the three blend refrigerants were compared with published data. The radial distribution functions (RDFs) show that intra-molecular and inter-molecular interactions occur in the vapor and liquid phases for R448A and R449A. The thermodynamic properties of R448A and R449A estimated in this work will be useful for analyzing the performance of commercial refrigeration systems operating with these new blend refrigerants.