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

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, σ12 = 1–4, and attraction energies between them, ɛ12 = 1–4. The results were compared with numerical experiment data to find that the approach used was fairly accurate

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Correspondence to A. V. Klinov.

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Original Russian Text © A.A. Tarzimanov, A.V. Klinov, A.V. Malygin, A.A. Nurgalieva, 2008, published in Zhurnal Fizicheskoi Khimii, 2008, Vol. 82, No. 8, pp. 1407–1412.

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Tarzimanov, A.A., Klinov, A.V., Malygin, A.V. et al. The excess thermodynamic functions of three-component Lennard-Jones systems based on binary distribution functions. Russ. J. Phys. Chem. 82, 1247–1251 (2008). https://doi.org/10.1134/S0036024408080013

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Keywords

  • Interaction Energy
  • Radial Distribution Function
  • Potential Parameter
  • Excess Function
  • Subcritical Condition