Abstract

Abstract A previously reported algorithm has been generalized in order to calculate the shortest distances and orientational averages for systems composed of molecules, that can be modelled by rods of differing lengths assumed to interact via an intermolecular potential that depends solely upon the shortest distance between the rods. The orientational averages calculated for each rod—rod interaction are the Boltzmann factor and two factors related to contributions to internal energy and Helmholtz free energy. All three factors have appeared in recent theories dealing with mixtures of polyatomic fluids, and the method presented here seems to open broader fields of applications for such theories.

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