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

S. A. Egorov, Eran Rabani

Research output: Contribution to journalArticlepeer-review

Abstract

The potential of mean force (PMF) between two dilute solutes in a supercritical solvent was studied using two versions of integral equation theory. The nonlocal integral equation theory proved superior to its homogeneous counterpart. It indicated differences in the behaviour of solute-solute PMF in medium and high density solvents. Accuracy of two versions were assessed by comparing theoretical results with computer simulation.

Original languageEnglish
Pages (from-to)617-620
Number of pages4
JournalJournal of Chemical Physics
Volume115
Issue number2
DOIs
StatePublished - 8 Jul 2001

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