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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 90, 1997 - Issue 4
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Original Articles

Application of some second-order integral equation theories to the Lennard-Jones fluid

Pages 563-570 | Published online: 03 Dec 2010
 

Abstract

Three second-order integral equation theories based on the theory of inhomogeneous fluids are studied for the bulk Lennard-Jones fluid. These second-order theories are constructed from the inhomogeneous Ornstein–Zernike equation with the well known Percus–Yevick and the hypernetted chain closures, and the recently proposed Duh–Haymet–Henderson clossure. The radial distribution functions and the cavity functions are reported and are compared with simulation results.

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