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Original Articles

Solution of the Percus-Yevick Equation for Hard Spherocylinders: II. Dependence of the Pair Correlation Function on the Elongation

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Pages 217-233 | Received 01 Mar 1990, Published online: 24 Sep 2006
 

Abstract

The Percus-Yevick integral equation has been solved for hard spherocylinders, using an algorithm introduced in a previous paper. The pair correlation function (PCF) and the direct correlation function have been obtained and the dependence of these functions on the elongation as well on the numerical density is presented. Some of the spherical harmonic coefficients corresponding to the PCF are also shown and compared with Monte Carlo simulations. The best agreement is obtained for intermediate elongations, corresponding to molecules such as Cl2 and for the first harmonic coefficient. The variation of the PCF of selected orientations with density is similar to that of hard spheres. Nevertheless, the variation for each orientation with elongation is more complicated trending to the hard sphere limit in different ways.

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