DOI: 10.1063/1.464715. Cavitation of a Lennard-Jones fluid between hard walls, and the possible relevance to the attraction measured between hydrophobic surfaces

Cavitation of a Lennard-Jones fluid between hard walls, and the possible relevance to the attraction measured between hydrophobic surfaces

10.1063/1.464715

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A Lennard-Jones fluid confined between two planar hard walls is simulated using grand canonical Monte Carlo, and capillary evaporation is found for liquid subcritical bulk states. General methods are given for simulating a metastable fluid beyond coexistence. For the systems studied, the liquid and the gas phases coexist in equilibrium at a separation of ∼5 diam, the spinodal cavitation separation is at ∼4 diam, and the spinodal condensation separation is at ≳15 diam. The interaction pressure between the walls is found to be attractive and increases rapidly as the spinodal separation is approached. On the equilibrium liquid branch, the net pressure still appears significantly larger than the van der Waals attraction at separations of ∼10 diam. A simple analytic theory is given, which relates the force to the approach of the separation-induced phase transition. It is suggested that this is the microscopic origin of the measured attractions between hydrophobic surfaces in water.

Bibliography

BÃ©rard, D. R., Attard, P., & Patey, G. N. (1993). Cavitation of a Lennard-Jones fluid between hard walls, and the possible relevance to the attraction measured between hydrophobic surfaces. The Journal of Chemical Physics, 98(9), 7236â7244.

Authors 3

D. R. Bérard (first)
Phil Attard (additional)
G. N. Patey (additional)

References 26 Referenced 138

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Dates

Type	When
Created	23 years ago (July 26, 2002, 8:38 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 9 p.m.)
Indexed	11 months, 2 weeks ago (Sept. 4, 2024, 10:40 p.m.)
Issued	32 years, 3 months ago (May 1, 1993)
Published	32 years, 3 months ago (May 1, 1993)
Published Print	32 years, 3 months ago (May 1, 1993)

Funders 0

None

BibTeX

@article{B_rard_1993, title={Cavitation of a Lennard-Jones fluid between hard walls, and the possible relevance to the attraction measured between hydrophobic surfaces}, volume={98}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.464715}, DOI={10.1063/1.464715}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bérard, D. R. and Attard, Phil and Patey, G. N.}, year={1993}, month=may, pages={7236–7244} }

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