Pair correlation functions of simple solutes in a Lennard-Jones solvent

Arieh Ben-Naim; Vincent K. Shen

doi:10.1063/1.3009296

Pair correlation functions of simple solutes in a Lennard-Jones solvent

Arieh Ben-Naim^*, Vincent K. Shen

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

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.

Original language	English
Article number	194514
Journal	Journal of Chemical Physics
Volume	129
Issue number	19
DOIs	https://doi.org/10.1063/1.3009296
State	Published - 2008
Externally published	Yes

Access to Document

10.1063/1.3009296

Cite this

@article{3c7d96800eb2432f8d171a2a72c70621,

title = "Pair correlation functions of simple solutes in a Lennard-Jones solvent",

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.",

author = "Arieh Ben-Naim and Shen, {Vincent K.}",

year = "2008",

doi = "10.1063/1.3009296",

language = "אנגלית",

volume = "129",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "19",

}

TY - JOUR

T1 - Pair correlation functions of simple solutes in a Lennard-Jones solvent

AU - Ben-Naim, Arieh

AU - Shen, Vincent K.

PY - 2008

Y1 - 2008

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=56849119007&partnerID=8YFLogxK

U2 - 10.1063/1.3009296

DO - 10.1063/1.3009296

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:56849119007

SN - 0021-9606

VL - 129

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 19

M1 - 194514

ER -

Pair correlation functions of simple solutes in a Lennard-Jones solvent

Abstract

Access to Document

Other files and links

Fingerprint

Cite this