One-dimensional model for water and aqueous solutions. IV. A study of "hydrophobic interactions"

Arieh Ben-Naim

doi:10.1063/1.2976442

One-dimensional model for water and aqueous solutions. IV. A study of "hydrophobic interactions"

Arieh Ben-Naim^*

^*Corresponding author for this work

Institute of Chemistry

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

10 Scopus citations

Abstract

The solute-solute pair correlation function and the potential of mean force (PMF) between two hard-rod solutes in two solvents are studied in one-dimensional systems. One solvent consists of particles interacting via square well (SW) potential. The second consists of particles interacting via "hydrogen-bond-like" (HB) pair potential. It was found that the first minimum of the solute-solute PMF at infinite dilution in the two solvents grows deeper as we increase the strength of the solvent-solvent interaction. In the SW (but not in the HB) solvent, we found that the range of solute-solute pair correlation is larger at lower temperatures (or at larger ε_BB k_BT). The relevance of this finding to the problem of hydrophobic interactions is discussed.

Original language	English
Article number	104506
Journal	Journal of Chemical Physics
Volume	129
Issue number	10
DOIs	https://doi.org/10.1063/1.2976442
State	Published - 2008

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AB - The solute-solute pair correlation function and the potential of mean force (PMF) between two hard-rod solutes in two solvents are studied in one-dimensional systems. One solvent consists of particles interacting via square well (SW) potential. The second consists of particles interacting via "hydrogen-bond-like" (HB) pair potential. It was found that the first minimum of the solute-solute PMF at infinite dilution in the two solvents grows deeper as we increase the strength of the solvent-solvent interaction. In the SW (but not in the HB) solvent, we found that the range of solute-solute pair correlation is larger at lower temperatures (or at larger εBB kBT). The relevance of this finding to the problem of hydrophobic interactions is discussed.

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One-dimensional model for water and aqueous solutions. IV. A study of "hydrophobic interactions"

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