DOI: 10.1063/1.458486. Nonlocal integral-equation approximations. I. The zeroth order (hydrostatic) approximation with applications

Nonlocal integral-equation approximations. I. The zeroth order (hydrostatic) approximation with applications

10.1063/1.458486

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A formally exact nonlocal density-functional expansion procedure for direct correlation functions developed earlier by Stell for a homogeneous system, and extended by Blum and Stell, Sullivan and Stell, and ourselves to various inhomogeneous systems, is used here to derive nonlocal integral-equation approximations. Two of the simplest of these approximations (zeroth order), which we shall characterize here as the hydrostatic Percus–Yevick (HPY) approximation and the hydrostatic hypernetted-chain (HHNC) approximation, respectively, are shown to be capable of accounting for wetting transitions on the basis of general theoretical considerations. Before turning to such transitions, we investigate in this first paper of a series the case of homogeneous hard-sphere fluids and hard spheres near a hard wall as well as the case of hard spheres inside a slit pore. Numerical results show that the HHNC approximation is better than the HNC approximation for both the homogeneous and inhomogeneous systems considered here while the HPY approximation appears to overcorrect the PY approximation.

Bibliography

Zhou, Y., & Stell, G. (1990). Nonlocal integral-equation approximations. I. The zeroth order (hydrostatic) approximation with applications. The Journal of Chemical Physics, 92(9), 5533â5543.

Authors 2

Yaoqi Zhou (first)
George Stell (additional)

References 56 Referenced 34

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Dates

Type	When
Created	23 years ago (July 26, 2002, 9:21 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 6:24 a.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 5:59 a.m.)
Issued	35 years, 3 months ago (May 1, 1990)
Published	35 years, 3 months ago (May 1, 1990)
Published Print	35 years, 3 months ago (May 1, 1990)

Funders 0

None

BibTeX

@article{Zhou_1990, title={Nonlocal integral-equation approximations. I. The zeroth order (hydrostatic) approximation with applications}, volume={92}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.458486}, DOI={10.1063/1.458486}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Zhou, Yaoqi and Stell, George}, year={1990}, month=may, pages={5533–5543} }

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