MONTE-CARLO SIMULATION OF ASSOCIATING FLUID WITH 2 BONDING SITES IN SLIT-LIKE AND SPHERICAL PORES

Authors
BOROWKO M SOKOLOWSKI S ZAGORSKI R
Citation
M. Borowko et al., MONTE-CARLO SIMULATION OF ASSOCIATING FLUID WITH 2 BONDING SITES IN SLIT-LIKE AND SPHERICAL PORES, Polish Journal of Chemistry, 71(4), 1997, pp. 480-487
Citations number
15
Categorie Soggetti
Chemistry
Journal title
Polish Journal of Chemistry → ACNP
ISSN journal
01375083
Volume
71
Issue
4
Year of publication
1997
Pages
480 - 487
Database
ISI
SICI code
0137-5083(1997)71:4<480:MSOAFW>2.0.ZU;2-K
Abstract
Monte Carlo simulations of adsorption of associating fluids in slit-li ke and spherical pores were performed assuming an orientational-depend ent associating potential with two bonding sites. The simulations have indicated that the number of associates depends on the pore shape and is different in different parts of the system. Orientational ordering of the particles was also investigated. At tile surface, the associat es assume orientation parallel to the pore wall. The length of the clu sters formed is different in different parts of the pore.