The structure of associating hard spheres adsorbed on crystalline solids: a density functional approach

Authors
Zagorski, R Borowko, M Sokolowski, S Pizio, O
Citation
R. Zagorski et al., The structure of associating hard spheres adsorbed on crystalline solids: a density functional approach, MOLEC PHYS, 96(5), 1999, pp. 885-892
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
96
Issue
5
Year of publication
1999
Pages
885 - 892
Database
ISI
SICI code
0026-8976(19990310)96:5<885:TSOAHS>2.0.ZU;2-C
Abstract
Adsorption of associating hard spheres at a crystalline (100) fee plane is studied using the density functional theory and isobaric-isothermal Monte C arlo simulation. The model of hard spheres with one bonding site per partic le is considered. The influence of the surface periodicity on the structure of the fluid is discussed. The simulational results are compared with theo retical predictions. It is shown that the density functional approach is ca pable of predicting the structure of the fluid reasonably well.