Take a sneak peek at the new NIST.gov and let us know what you think!
(Please note: some content may not be complete on the beta site.).
NIST Authors in Bold
|Author(s):||Yehuda A. Ben Naim; Vincent K. Shen;|
|Title:||Pair correlation functions of simple solutes in a Lennard-Jones solvent|
|Published:||November 20, 2008|
|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|
|Pages:||pp. 194514 - 194520|
|Keywords:||mixtures, computer simulation, Monte Carlo, Percus-Yevick, solvation, hydrophobic interactions|
|PDF version:||Click here to retrieve PDF version of paper (1MB)|