Abstract
The selection of appropriate refrigerants concerning the environmental impact and system performance is a critical issue. Blends of hydrofluoroolefins and hydrofluorocarbons are an excellent choice of refrigerants to overcome environmental and systems performance issues. In this paper, molecular dynamics (MD) simulations was used to investigate the homogeneous condensation and thermophysical properties of R450A, R513A and R515A. Our MD results have a fair agreement with standard REFPROP software and previous available numerical data. The liquid densities and isobaric heat capacities of these refrigerants were obtained at lower condensation temperatures and higher condensation pressure. Condensation phenomena and diffusion motion were analyzed with variations of temperatures. The mean square displacement for different temperatures was investigated for dynamical analysis. The variations in potential energies, volume and condensation rate were obtained to get insight into the condensation process. The radial distribution function computed at the micro level for structural analysis that revealed the phase transition of R450A, R513A and R515A did not affect the intramolecular structure. The Molecular dynamics simulations outcome shows that the R515A has a lower condensation rate and excellent thermophysical properties compared with R450A and R513A.
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