The solution of the Percus-Yevick approximation for fluids with angle-dependent pair interactions. A general method with results for dipolar hard spheres

The solution of the Percus-Yevick approximation for fluids with angle-dependent pair interactions. A general method with results for dipolar hard spheres

A general method is presented which allows the Percus–Yevick (PY) and reference Percus–Yevick (RPY) integral equation theories to be solved for fluids of particles interacting with anisotropic pair potentials. The numerical solution is based upon a fast quasianalytic method of expanding the closure...

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Veröffentlicht in:The Journal of chemical physics 1986-12, Vol.85 (12), p.7307-7311
Hauptverfasser: FRIES, P. H, PATEY, G. N
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Sprache:eng
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Applied sciences
Exact sciences and technology
Other techniques and industries
Physics
Statistical physics, thermodynamics, and nonlinear dynamical systems
Transport processes
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container_issue 12
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container_title The Journal of chemical physics
container_volume 85
creator FRIES, P. H
PATEY, G. N
description A general method is presented which allows the Percus–Yevick (PY) and reference Percus–Yevick (RPY) integral equation theories to be solved for fluids of particles interacting with anisotropic pair potentials. The numerical solution is based upon a fast quasianalytic method of expanding the closure relationships in a basis set of rotational invariants. The RPY equations are solved explicitly for dense dipolar hard sphere fluids and the results obtained are compared with Monte Carlo data and with other integral equation approximations.
doi_str_mv 10.1063/1.451369
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subjects Applied sciences
Exact sciences and technology
Other techniques and industries
Physics
Statistical physics, thermodynamics, and nonlinear dynamical systems
Transport processes
title The solution of the Percus-Yevick approximation for fluids with angle-dependent pair interactions. A general method with results for dipolar hard spheres
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