Self-consistent Ornstein-Zernike approximation for the Sogami-Ise fluid.
We generalize the self-consistent Ornstein-Zernike approximation (SCOZA) to a fluid of particles with a pair potential consisting of a hard-core repulsion and a linear combination of Sogami-Ise tails, w(r)=-epsilonsigma summation operator (nu)(K(nu)/r+L(nu)z(nu))e(-z(nu)(r-sigma)). The formulation and implementation of the SCOZA takes advantage of the availability of semianalytic results for such systems within the mean-spherical approximation. The predictions for the thermodynamics, the phase behavior and the critical point are compared with optimized random phase approximation results; further, the effect of thermodynamic consistency is investigated.
Center for Computational Materials Science and Institut für Theoretische Physik TU Wien, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria. paschinger@tph.tuwein.ac.at
Elisabeth
E
Schöll-Paschinger