Abstract
Abstract Pair correlation functions and structure factors of molecular fluids were computed, based on the reference interaction site model (RISM) integral equation coupled with the Percus-Yevick (PY) and the hyper-netted chain (HNG) approximations. The system considered is a fluid of diatomic molecules consisting of two identical spheres of diameter a with each center located at a distance L(L<σ). The total potential energy for the molecular fluid is assumed to be the sum of pair potentials of the Lennard-Jones type. It is shown that the pair correlation functions calculated are in agreement with results of molecular dynamics studies. The structure factors calculated by using two kinds of approximations (PY and HNG) are found to deviate from each other for small values of k(wave vector). Discussions are given on the behavior of the structure factors, S(k). The rise of S(k) at small k is ascribed to the effect of attractive forces between molecules.
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