Affiliation:
1. Instituto de Energías Renovables, Universidad Nacional Autónoma de México (U.N.A.M.) , Temixco, Morelos 62580, Mexico
Abstract
A reformulation of the Ornstein–Zernike equation for a homogeneous isotropic fluid composed of m species, with spherical symmetry, is formally derived. Based on a factorization of matrices of composed functions, this reformulation provides an interesting new set of functions. As a test to this reformulation, the resulting equations are solved for a binary mixture of hard spheres and compared to those obtained from the standard solution of the Ornstein–Zernike equation and with molecular dynamics simulations.
Funder
Consejo Nacional de Ciencia y TecnologÃ-a
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference40 articles.
1. Calculation of solubility parameters from an equation of state;Chem. Phys. Lett.,1977
2. Electrolytes and the electric double layer;Prigogine,1996