화학공학소재연구정보센터
Journal of Chemical Physics, Vol.120, No.24, 11698-11711, 2004
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) = -epsilonrhoSigma(v)( K-v/r + L(v)z(v))e(-zv(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. (C) 2004 American Institute of Physics.