Journal of Physical Chemistry B, Vol.103, No.21, 4466-4473, 1999
Adsorption of associating fluids on solid surfaces: Wetting transition from density functional theory
Adsorption of associating hard spheres and particles interacting via the Lennard-Jones potential at a Lennard-Jones adsorbing wall is studied using the density functional theory. A model of association with one site per particle is considered. To test the theory we have also performed Monte Carlo simulation in the canonical ensemble for a Lennard-Jones associating fluid at high temperatures and fur hard associating spheres. Next, the influence of association on the wetting behavior of the fluid-solid interface is investigated. It is shown that the prewetting transition in associating systems is considerably influenced by the association processes.
Keywords:MONTE-CARLO SIMULATIONS;HARD-SPHERES;POLYATOMIC FLUIDS;PHASE-EQUILIBRIA;INHOMOGENEOUS FLUIDS;CRYSTALLINE SURFACE;PERTURBATION-THEORY;MOLECULAR-DYNAMICS;SIMPLE LIQUIDS;BONDING SITES