Evaluation of liquid-vapor density profiles for associating fluids in pores from density-functional theory

Citation
O. Pizio et al., Evaluation of liquid-vapor density profiles for associating fluids in pores from density-functional theory, J CHEM PHYS, 113(23), 2000, pp. 10761-10767
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
113
Issue
23
Year of publication
2000
Pages
10761 - 10767
Database
ISI
SICI code
0021-9606(200012)113:23<10761:EOLDPF>2.0.ZU;2-4
Abstract
Using density-functional theory we calculate density profiles of an associa ting fluid in slit like pores as functions of two variables: The distance f rom the pore wall and the distance along the pore axis. Attention is focuse d on evaluation of the profiles characterizing the coexistence between two confined phases. We also calculate changes in the grand canonical potential connected with the formation of an interface between two coexisting confin ed phases. Specific calculations have been carried out for the associating, chain forming Lennard-Jones fluid adsorbed in a slitlike pore. (C) 2000 Am erican Institute of Physics. [S0021- 9606(00)51746-2].