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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 75, 1992 - Issue 2
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Original Articles

Monte Carlo study of hard sphere fluids near a hard cylinder macromolecule

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Pages 261-270 | Received 01 Aug 1991, Accepted 27 Aug 1991, Published online: 26 Oct 2007
 

Abstract

The local structure of a hard sphere fluid in the vicinity of a hard cylinder is studied using the Monte Carlo method. Density profiles and values of the hard cylinder-hard sphere background correlation function are obtained for cylinder-sphere diameter ratios of 0, 1, and 2 at reduced densities up to 0.9. The first two terms in the density expansion of the cylinder-sphere pair distribution function are evaluated for a number of diameter ratios varying from 0 to 10. An empirical equation is proposed for the pair distribution function in the cylinder-sphere contact. The equation is in excellent agreement with simulated data in the whole range of diameter ratios and fluid densities.

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