Ben Naim, Y.
and Shen, V.
(2008),
Pair correlation functions of simple solutes in a Lennard-Jones solvent, Journal of Chemical Physics, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=832318
(Accessed April 19, 2024)
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Pair correlation functions of simple solutes in a Lennard-Jones solvent
Published
Author(s)
,
Abstract
We have calculated the pair correlation functions for several binary mixtures composed of simple solutes in a Lennard-Jones solvent. In particular, we have studied the solute-solute pair correlation functions and their dependence on the total density, the solvent Lennard-Jones parameters and on the solute-solute energy parameter. All the results were obtained from solving the Percus-Yevick equations, as well as from Monte Carlo simulations. The relevance of these results to the problem of hydrophobic interactions is also discussed.Citation
Journal of Chemical Physics
Volume
129
Pub Type
Journals
Download Paper
Keywords
mixtures, computer simulation, Monte Carlo, Percus-Yevick, solvation, hydrophobic interactions
Citation
Created November 19, 2008, Updated October 12, 2021