2007Molecular PhysicsRequires access

Analytical equations of state for multi-Yukawa fluids based on the Ross variational perturbation theory and the Percus-Yevick radial distribution function of hard spheres

Jiu-Xun Sun

Open publisher page 9 citations

Abstract

Analytical expressions for equation of state and thermodynamic properties have been derived for the multi-Yukawa fluids, based on the Ross variational perturbation theory and the analytical Percus–Yevick (PY) expression for the radial distribution function of hard spheres. It is shown that the variational procedure is absolutely convergent and the calculations are convenient and fast. By using the parameters fitted to the Lennard–Jones 12–6 potential from the literature, numerical calculations have been made within wide temperature and density ranges. Comparison with computer simulations shows that the precision of the analytical Ross theory based on the Yukawa-type potential is equivalent to the non-analytical Ross theory based on the Lennard–Jones 12–6 potential. It is concluded that the analytical theory based on the Yukawa-type potential can be applied to research practical fluids within wide temperature and density ranges.

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What this paper is about

Analytical expressions for equation of state and thermodynamic properties have been derived for the multi-Yukawa fluids, based on the Ross variational perturbation theory and the analytical Percus–Yevick (PY) expression for the radial distribution function of hard spheres. It is shown that the variational procedure is absolutely convergent and the calculations are convenient and fast. By using the parameters fitted to the Lennard–Jones 12–6 potential from the literature, numerical calculations have been made within wide temperature and density ranges. Comparison with computer simulations shows that the precision of the analytical Ross theory based on the Yukawa-type potential is equivalent to the non-analytical Ross theory based on the Lennard–Jones 12–6 potential. It is concluded that the analytical theory based on the Yukawa-type potential can be applied to research practical fluids within wide temperature and density ranges.

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Available abstract

Analytical expressions for equation of state and thermodynamic properties have been derived for the multi-Yukawa fluids, based on the Ross variational perturbation theory and the analytical Percus–Yevick (PY) expression for the radial distribution function of hard spheres. It is shown that the variational procedure is absolutely convergent and the calculations are convenient and fast. By using the parameters fitted to the Lennard–Jones 12–6 potential from the literature, numerical calculations have been made within wide temperature and density ranges. Comparison with computer simulations shows that the precision of the analytical Ross theory based on the Yukawa-type potential is equivalent to the non-analytical Ross theory based on the Lennard–Jones 12–6 potential. It is concluded that the analytical theory based on the Yukawa-type potential can be applied to research practical fluids within wide temperature and density ranges.

Key concepts: Yukawa potential, Hard spheres, Radial distribution function, Perturbation theory (quantum mechanics), Physics, Equation of state, Statistical physics, Distribution function

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