Sixth and Seventh Virial Coefficients for the Parallel Hard-Cube Model
- 15 June 1962
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 36 (12) , 3141-3162
- https://doi.org/10.1063/1.1732443
Abstract
A procedure for calculating virial coefficients for parallel hard lines, squares, and cubes is outlined, and the sixth and seventh virial coefficients are computed for these models. The essential step in the evaluation of the star integrals lies in the recognition of the fact that only a few ``subintegrals'' contribute to each virial coefficient, relative to the total number of labeled star integrals. Both the sixth and seventh virial coefficients are negative for hard cubes, a fact interesting from the point of view of phase transitions. Approximations to the excess entropy are given for squares and cubes.The procedure for the star integrals is extended to the calculation of approximations to the pair distribution function and the potential of the mean force. These functions are calculated through the fourth approximation for hard lines, squares, and cubes.The topological graphs needed for the above investigations, together with the values of the related integrals in one dimension, are displayedKeywords
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