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Cited by 247

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The interfacial density profile of a Lennard-Jones fluid in contact with a (100) Lennard-Jones wall and its relationship to idealized fluid/wall systems: A Monte Carlo simulation

Abraham, Farid F.·1978·The Journal of Chemical Physics
DOI 10.1063/1.436229
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Abstract

Using the Monte Carlo simulation method, we study the interfacial liquid density profile for several systems; Lennard-Jones (L-J) fluid/L-J (100) solid fcc face, L-J fluid/L-J (10–4) wall, L-J fluid/’’Boltzmann averaged’’ wall, L-J fluid/hard wall, and hard-sphere fluid/Boltzmann averaged wall. Upon comparing the simulation results, we conclude that the Boltzmann averaged wall is a good effective one-dimensional potential for a (100) structured wall, and that the attractive interactions between the fluid atoms significantly influence the interfacial fluid density profile.

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Metadata

Authors
Abraham, F. F.
Venue
The Journal of Chemical Physics
Publisher
AIP Publishing
Published
1978-04-15
Volume
68
Issue
8
Pages
3713-3716
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
DOI
10.1063/1.436229
OpenAlex
W2031823734
Cited by
247
References
0
FWCI
11.18
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: The interfacial density profile of a Lennard-Jones fluid in contact with a (100) Lennard-Jones wall and its relationship to idealized fluid/wall systems: A Monte Carlo simulation. https://app.cochat.ai/papers/10.1063/1.436229
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Abraham, F. F. (1978). The interfacial density profile of a Lennard-Jones fluid in contact with a (100) Lennard-Jones wall and its relationship to idealized fluid/wall systems: A Monte Carlo simulation. The Journal of Chemical Physics. https://doi.org/10.1063/1.436229

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.