A simple analysis of the classical hard sphere one component plasma. I. Hole corrected Debye–Hückel theory

Penfold, Robert; Nordholm, Sture; Jönsson, Bo; Woodward, C. E.
August 1991
Journal of Chemical Physics;8/1/1991, Vol. 95 Issue 3, p2048
Academic Journal
The principal simplifying assumptions in the description of Coulomb fluids are the neglect of correlations within the ionic atmosphere and the disregard of ion size effects. In order to account for short range repulsions, a straightforward heuristic approach is considered where a Debye–Hückel charge density is augmented with a central hard sphere and the possibility of an electrostatic exclusion zone is included to prevent an unphysical negative contact density. This approach leads to an analysis describing the relative competition between hard sphere and electrostatic mechanisms, which undergoes a well-defined interchange in the (γ,η) parameter space. While the structural information is, by construction, limited, thermodynamic properties agree remarkably well with both the rescaled mean spherical approximation and Monte Carlo simulations, up to moderate densities.


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