| 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 |
| Volume: |
129 |
| Pages: |
pp. 194514 - 194520 |
| Keywords: |
mixtures, computer simulation, Monte Carlo, Percus-Yevick, solvation, hydrophobic interactions |
| Research Areas: |
Chemistry |
| PDF version: |
 Click here to retrieve PDF version of paper (1MB) |
