遮蔽べき級数型相互作用流体の熱力学的自己無撞着理論

概要

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We present a thermodynamically self-consistent Ornstein-Zernike approximation (SCOZA) for a fluid of spherical particles with a pair potential given by a hard core repulsion and screened power series (SPS) tails. We take advantage of the known analytical properties of the solution of the Ornstein-Zernike equation for the case in which the direct correlation function outside the repulsive core is given by the SPS tails: c(r)=Σ^^N__<n=1>e^<-z_nr>Σ^^<L_n>__<r=-1>K^(n,r)z^<r+1>_nr^r r＞1, and the radial distribution function g(r) satisfies the exact core condition g(r) = 0 for r＜1. The SCOZA is known to provide very good overall thermodynamics and remarkably accurate critical point and coexistence curve. In this paper, we present some preliminary numerical results for parameters in c(r) which are chosen to fit the Lennard-Jones potential. Full-dress investigations will be presented in a series of subsequent papers for fluids with variety of smooth, realistic isotropic potentials where the pair potentials can be fitted by the SPS tails.