DOI: 10.1063/1.450311. Density profiles and pair correlation functions of Lennard-Jones fluids near a hard wall

Density profiles and pair correlation functions of Lennard-Jones fluids near a hard wall

10.1063/1.450311

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We numerically solve the inhomogeneous Percus–Yevick equation for a system of particles interacting with each other through a Lennard-Jones potential in the vicinity of a flat impenetrable wall. The density profile and pair correlation function are determined self-consistently. We obtain density profiles which are, at least close to the wall, in good agreement with Monte Carlo results for low to intermediate densities. In one case for which a comparison of the entire profile with a Monte Carlo calculation is possible, we also obtain encouraging results.

Bibliography

Plischke, M., & Henderson, D. (1986). Density profiles and pair correlation functions of Lennard-Jones fluids near a hard wall. The Journal of Chemical Physics, 84(5), 2846â2852.

Authors 2

Michael Plischke (first)
Douglas Henderson (additional)

References 16 Referenced 77

10.1021/j150670a015 / J. Phys. Chem. (1984)
10.1098/rspa.1985.0074 / Proc. R. Soc. London Ser. A (1985)
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10.1063/1.439260 / J. Chem. Phys. (1980)
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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 11:26 p.m.)
Indexed	1 month, 3 weeks ago (July 12, 2025, 6:47 p.m.)
Issued	39 years, 6 months ago (March 1, 1986)
Published	39 years, 6 months ago (March 1, 1986)
Published Print	39 years, 6 months ago (March 1, 1986)

Funders 0

None

BibTeX

@article{Plischke_1986, title={Density profiles and pair correlation functions of Lennard-Jones fluids near a hard wall}, volume={84}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.450311}, DOI={10.1063/1.450311}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Plischke, Michael and Henderson, Douglas}, year={1986}, month=mar, pages={2846–2852} }

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