Statistical mechanical study of hydrophobie interaction. i. interaction between two identical nonpolar solute particles

A. Ben-Naim*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

85 Scopus citations

Abstract

The tendency of two nonpolar particles to adhere to each other in aqueous environment is examined within the framework of classical statistical mechanics. The system under investigation consists of N solvent molecules and two simple solute particles at fixed positions R1 and R2. The Heimholte free energy for such a system is split into three terms: A N+2(R1, R2) = A0+U12 (R1, R2) +4HI(R1, R2). The main problem of the article is formulated in terms of the function A Hl(R12). The hydrophobic interaction is defined as the indirect part of the work [AHI(R12= *)-A HI(R12)^ associated with the process of bringing the two solute particles from infinity to the distance R12. Three different estimates of the strength of the hydrophobic interaction for various solute-solute distances are discussed. A quantity, based on available experimental data, is suggested to serve as a simple and practical index for comparing the hydrophobic interaction in various media. Using this quantity, the unique behavior of liquid water with regard to hydrophobic interaction is established.

Original languageEnglish
Pages (from-to)1387-1404
Number of pages18
JournalThe Journal of Chemical Physics
Volume54
Issue number3
DOIs
StatePublished - 1971

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