MONTE-CARLO STUDY OF THE 2-DIMENSIONAL CHEMICALLY ASSOCIATING FLUIDS

Authors
HENDERSON D HUERTA A PIZIO O TROKHYMCHUK A
Citation
D. Henderson et al., MONTE-CARLO STUDY OF THE 2-DIMENSIONAL CHEMICALLY ASSOCIATING FLUIDS, Molecular physics, 90(4), 1997, pp. 571-579
Citations number
25
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
90
Issue
4
Year of publication
1997
Pages
571 - 579
Database
ISI
SICI code
0026-8976(1997)90:4<571:MSOT2C>2.0.ZU;2-L
Abstract
Monte Carlo simulations are reported for the distribution functions, t he fraction of unbonded and bonded particles, and the pressure of a ch emically associating fluid of hard discs of a circularly symmetric att ractive square well. Depending on the choice of the bonding length, di mers or chain molecules of different length can be formed. The depende nce of the structural properties of the model on the fluid density and association energy is discussed.