Semi Empirical Calculation of Intermolecular Potentials and Transport Properties of Some Binary and Ternary Industrial Refrigerant Mixtures

Document Type: Regular Article

Authors

1 Department of Chemistry, Shiraz University of Technology, Shiraz, 71555-313, Iran

2 Department of Chemistry, Shiraz University of Technology, Shiraz 71555-313, Iran

3 Department of Chemistry, Computational Quantum Chemistry Laboratory, University of Sistan and Baluchestan, P.O. Box 98135-674, Zahedan, Iran

Abstract

In this study the intermolecular potential energies of some environment-friendly industrial HFC refrigerants were obtained through the inversion method which is based on the corresponding states principle. These potentials were later employed in calculation of transport properties (viscosity, diffusion, thermal conductivity and thermal diffusion factor) of some binary and ternary refrigerant mixtures, in the low density region. Predicted transport properties were compared with the available literature data and gave rise to the acceptable agreement. On the other hand, the interaction potential was fitted to an analytical form, and the calculated low density transport properties were also fitted to the fairly exact equations. In the case of R410A and R421B mixtures, high density viscosity values were also calculated through the Vesovic-Wakeham method. Due to lack of experimental values on high density viscosities of these two mixtures, we could only compare calculated high density viscosities for other available molar compositions of R124-R134a and R125-R32 binary mixtures, with literature data, while again acceptable accordance was observed.

Graphical Abstract

Semi Empirical Calculation of Intermolecular Potentials and Transport Properties of Some Binary and Ternary Industrial Refrigerant Mixtures

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