Solute-solute potential of mean force in supercritical solvents: A nonlocal integral equation study

Authors
Egorov, SA Rabani, E
Citation
Sa. Egorov et E. Rabani, Solute-solute potential of mean force in supercritical solvents: A nonlocal integral equation study, J CHEM PHYS, 115(2), 2001, pp. 617-620
Citations number
20
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
115
Issue
2
Year of publication
2001
Pages
617 - 620
Database
ISI
SICI code
0021-9606(20010708)115:2<617:SPOMFI>2.0.ZU;2-0
Abstract
We employ Monte Carlo simulations and two versions of integral equation the ory to study the potential of mean force between two dilute solutes in a su percritical solvent. The nonlocal integral equation theory is shown to be f ar superior compared to its homogeneous counterpart. Important differences in the behavior of the potential of mean force between medium and high dens ity solvents are pointed out. (C) 2001 American Institute of Physics.