Abstract

A procedure is described for the calculation of the generalized pair distribution function g(r,s,s8), where s is a molecular random variable with distribution f (s), using generalized integral equations familiar from simple liquid theory. The method is based on expansions of all s-dependent functions in the orthogonal polynomials p j(s) associated with the weight f (s) and is computationally efficient. To illustrate the procedure, calculations are made for a charge-stabilized, polydisperse colloidal suspension with Schulz distribution of diameters s. The method can be immediately generalized to fluids with internal degrees of freedom, for which f (s) must itself be self-consistently determined. @S1063-651X~96!12610-6#

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