Interface profiles in a dimerizing system

Citation
Tb. Peery et Gt. Evans, Interface profiles in a dimerizing system, J CHEM PHYS, 114(5), 2001, pp. 2387-2394
Citations number
38
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
5
Year of publication
2001
Pages
2387 - 2394
Database
ISI
SICI code
0021-9606(20010201)114:5<2387:IPIADS>2.0.ZU;2-R
Abstract
The gas-liquid density profile and surface tension are calculated for a flu id possessing hard sphere repulsion, van der Waals-like dispersion, and sti cky-spot attraction. The sticky spot allows monomers to dimerize and the co nsequences of which are investigated. Association is treated with Wertheim' s thermodynamic perturbation theory and the direct correlation functions ar e derived by means of the Ornstein-Zernike equations for associating system s. The primary effect of association is to shift the critical temperatures and densities from those of a nonassociating fluid. While there are small, nonmonotonic shifts in the correlation length and surface tension, accompan ied by an interface composition change, these effects on the density profil e seem to be subsumed in the use of the proper T/T-c. (C) 2001 American Ins titute of Physics.