A self-contained Ornstein-Zernike approximation scheme for calculating the structural and thermodynamic properties of a hard-sphere fluid is proposed within a simple functional ansatz for the tail function d(r) and without resorting to any a priori availability of numerical simulation data. This is done by adopting a complete thermodynamic closure on the solution of the model by means of internal-consistency constraints which arise from demanding, through the knowledge of the structural correlations in the fluid, a unique estimate for the equation of state whatever route is followed for its evaluation.
Structure and Thermodynamics of A Classical Hard-sphere Fluid - A Self-consistent Theory
CACCAMO, Carlo;GIAQUINTA, Paolo Vittorio
1985-01-01
Abstract
A self-contained Ornstein-Zernike approximation scheme for calculating the structural and thermodynamic properties of a hard-sphere fluid is proposed within a simple functional ansatz for the tail function d(r) and without resorting to any a priori availability of numerical simulation data. This is done by adopting a complete thermodynamic closure on the solution of the model by means of internal-consistency constraints which arise from demanding, through the knowledge of the structural correlations in the fluid, a unique estimate for the equation of state whatever route is followed for its evaluation.File in questo prodotto:
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