Adsorption of associating fluids on solid surfaces: Wetting transition from density functional theory

Citation
A. Patrykiejew et S. Sokolowski, Adsorption of associating fluids on solid surfaces: Wetting transition from density functional theory, J PHYS CH B, 103(21), 1999, pp. 4466-4473
Citations number
53
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
103
Issue
21
Year of publication
1999
Pages
4466 - 4473
Database
ISI
SICI code
1520-6106(19990527)103:21<4466:AOAFOS>2.0.ZU;2-S
Abstract
Adsorption of associating hard spheres and particles interacting via the Le nnard-Jones potential at a Lennard-Jones adsorbing wall is studied using th e density functional theory. A model of association with one site per parti cle is considered. To test the theory we have also performed Monte Carlo si mulation 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 invest igated. It is shown that the prewetting transition in associating systems i s considerably influenced by the association processes.