Analytic studies of the hard dumbell fluid

Author: Cummings P.T.   Morriss G.P.   Stell G.  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.51, Iss.2, 1984-02, pp. : 289-311

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Abstract

We consider a closure to the site-site Ornstein-Zernike (SSOZ) equation that is solvable analytically in closed form and represents a considerable improvement over both the zero pole approximation and reference interaction site approximation for the hard dumbell fluid. The central idea is to add a Yukawa term to the functional form for the site-site direct correlation function outside the core region, the parameters of which are adjusted by thermodynamic and/or structural criteria. Numerical results using the simplest possible assignment scheme are reported.