title: Capillary condensation in cylindrical nanopores.
abstract: Using grand canonical Monte Carlo simulations, we have explored the phenomenon of capillary condensation (CC) of Ar at the triple temperature inside infinitely long, cylindrical pores. Pores of radius R = 1 nm, 1.7 nm, and 2.5 nm have been investigated using a gas-surface interaction potential parametrized by the well depth D of the gas on a planar surface made of the same material as that comprising the porous host. For strongly attractive situations--i.e., large D--one or more (depending on R) Ar layers adsorb successively before liquid fills the pore. For very small values of D, in contrast, negligible adsorption occurs at any pressure P below saturated vapor pressure P0; above saturation, there eventually occurs a threshold value of P at which the coverage jumps from empty to full, nearly discontinuously. Hysteresis is found to occur in the simulation data whenever abrupt CC occurs--i.e., for R > or = 1.7 nm--and for small D when R = 1 nm. Then, the pore-emptying branch of the adsorption isotherm exhibits larger coverage than the pore-filling branch, as is known from many experiments and simulation studies. The relation between CC and wetting on planar surfaces is discussed in terms of a threshold value of D, which is about one-half of the value found for the wetting threshold on a planar surface. This finding is consistent with a simple thermodynamic model of the wetting transition developed previously.
authors.affiliation: Department of Physics and Materials Research Institute, 104 Davey Laboratory, Pennsylvania State University, University Park, Pennsylvania 16802, USA. sgatica@howard.edu
authors.forename: Silvina M
authors.initials: SM
authors.lastname: Gatica
authors.forename: Milton W
authors.initials: MW
authors.lastname: Cole