Calculation of the entropy for hard-sphere from integral equation method

Authors

  • Purevkhuu Munkhbaatar Laboratory of Theoretical and High Energy Physics, Institute of Physics and Technology, Mongolian Academy of Sciences, Peace Ave 54B, Ulaanbaatar 13330, Mongolia https://orcid.org/0000-0002-5439-8136
  • Banzragch Tsednee Laboratory of Theoretical and High Energy Physics, Institute of Physics and Technology, Mongolian Academy of Sciences, Peace Ave 54B, Ulaanbaatar 13330, Mongolia
  • Tsogbayar Tsednee Chemistry Department, University of North Dakota, Grand Forks, ND 58202, USA
  • Tsookhuu Khinayat Laboratory of Theoretical and High Energy Physics, Institute of Physics and Technology, Mongolian Academy of Sciences, Peace Ave 54B, Ulaanbaatar 13330, Mongolia

DOI:

https://doi.org/10.5564/jasea.v4i1.3124

Keywords:

Ornstein-Zernike equation, integral equation, closure relation, hard-sphere potential, excess chemical potential, entropy

Abstract

The Ornstein-Zernike integral equation method has been employed for a single-component hard sphere fluid in terms of the Percus-Yevick (PY) and Martynov-Sarkisov (MS) approximations. The virial equation of state, excess chemical potential, and free energy have been computed in both approximations. The excess entropy has been obtained with both thermodynamic relation and free energy expression for reduced densities of 0.1 to 0.9. It has been shown that the entropy values from thermodynamic relation in the MS approximation are better than those from the PY approximation, especially for high densities, and presents a reasonable comparison with available data in the literature, while the values from free energy expression in both approximations are not only close to each other but also comparable to accurate ones.

Abstract
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References

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Published

2023-12-28

How to Cite

[1]
P. Munkhbaatar, B. Tsednee, T. Tsednee, and T. Khinayat, “Calculation of the entropy for hard-sphere from integral equation method”, J. appl. sci. eng., A, vol. 4, no. 1, pp. 27–32, Dec. 2023.

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