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The excess thermodynamic functions of three-component Lennard-Jones systems based on binary distribution functions

Research paper by A. A. Tarzimanov, A. V. Klinov, A. V. Malygin, A. A. Nurgalieva

Indexed on: 23 Jul '08Published on: 23 Jul '08Published in: Russian Journal of Physical Chemistry A



Abstract

Integral equation theory was used to study the binary distribution functions of the excess properties of three-component Lennard-Jones mixtures. The results obtained for the behavior of the excess functions of caloric properties (internal energy, enthalpy, and isochoric heat capacity) are reported. The influence of the third component with various potential parameters on excess functions was studied. Calculations were performed for systems under super-and subcritical conditions with different sizes of molecules, σ1/σ2 = 1–4, and attraction energies between them, ɛ1/ɛ2 = 1–4. The results were compared with numerical experiment data to find that the approach used was fairly accurate