title: Lennard-Jones fluids confined in nanoscopic slits: evidence for reentrant filling transitions.
abstract: By using grand canonical and canonical ensemble Monte Carlo simulations, the structure and phase behavior of a Lennard-Jones (LJ) fluid confined between the parallel (100) planes of a face-centered cubic crystal are studied. Slit pores with a width which allows three adsorbate layers to form are used. It is shown that the filled pore consists of three commensurate layers over a wide range of the surface potential strength, while the pore-filling mechanism and the topology of the phase diagram change when the strength of this fluid-wall potential is varied. Condensation may occur in one step or via two layering-like transitions. The structure of monolayer films depends on the strength and corrugation of the surface potential, and the condensation of the middle layer may induce a reentrant first-order transition.
authors.affiliation: Faculty of Chemistry, MCS University, 20031, Lublin, Poland.
authors.forename: L
authors.initials: L
authors.lastname: Sałamacha
authors.forename: A
authors.initials: A
authors.lastname: Patrykiejew
authors.forename: S
authors.initials: S
authors.lastname: Sokołowski
authors.forename: K
authors.initials: K
authors.lastname: Binder