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Calculation of equilibrium and nonequilibrium thermophysical properties by means of statistical mechanics

Avsec J.

Journal of Technical Physics

2003

Vol. 44, no 2

163-179

The paper features the mathematical model of computing equilibrium and nonequilibrium ther-mophysical properties of state in the liquid and gas domain for pure refrigerants and mixtures with the help of classical thermodynamics and statistical thermodynamics. The paper features all important contributions (translation, rotation, internal rotation, vibration, intermolecular potential energy and influence of electron and nuclei excitation). To calculate the thermodynamic properties of real fluid, the models on the basis of Lennard-Jones intermolecular potential were applied. To calculate the thermodynamic properties of real fluid by means of classical thermodynamics, we used the Tillner-Roth-Watanabe-Wagner (TRWW) equation on the base of Helmholtz type. We have developed a mathematical model for the calculation of all equilibrium and nonequilibrium thermodynamic functions of state for pure refrigerants. The analytical results obtained by statistical thermodynamics are compared with the TRWW model and show a relatively good agreement.