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CAVITATION OF A LENNARD-JONES FLUID BETWEEN HARD WALLS, AND THE POSSIBLE RELEVANCE TO THE ATTRACTION MEASURED BETWEEN HYDROPHOBIC SURFACES

TitleCAVITATION OF A LENNARD-JONES FLUID BETWEEN HARD WALLS, AND THE POSSIBLE RELEVANCE TO THE ATTRACTION MEASURED BETWEEN HYDROPHOBIC SURFACES
Publication TypeJournal Article
Year of Publication1993
AuthorsBerard, DR, Attard, P, Patey, GN
JournalJournal of Chemical Physics
Volume98
Pagination7236-7244
Date PublishedMay
Type of ArticleArticle
ISBN Number0021-9606
KeywordsADSORPTION, AQUEOUS-ELECTROLYTE SOLUTIONS, FILMS, FORCES, MONTE-CARLO, PHASE-EQUILIBRIA, SLIT
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 approximately 5 diam, the spinodal cavitation separation is at approximately 4 diam, and the spinodal condensation separation is at greater-than-or-similar-to 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 approximately 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.

URL<Go to ISI>://A1993LA76300069