Effects of solute--solvent attractive forces on hydrophobic correlations

Journal Article · Wed Oct 01 04:00:00 EDT 1980 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.440541· OSTI ID:5122020

Pratt, L R; Chandler, D

A theory is presented for the effect of slowly varying attractive forces on correlations between nonpolar solutes in dilute aqueous solution. We find that hydrophobic correlations are sensitive to relatively long range slowly varying interactions. Thus, it is possible to make qualitative changes in these correlations by introducing small changes in the attractive forces. Several model calculations are presented to illustrate these facts. The contributions of the Lennard-Jones attractive forces to the computer simulation results of Pangali, Rao, and Berne are calculated. For this case it is found that the potential of mean force between spherical nonpolar solutes is hardly affected by inclusion of attractive forces. However, the osmotic second virial coefficient is dominated by the contributions of the attractive forces. For spherical solutes which provide a reasonable model for the methane molecule, inclusion of attractive forces produces a qualitative change in the methane--methane potential of mean force. The connection between these effects of slowly varying attractive forces and the enthalpic part of Ben-Naim's deltaA/sup H/I is discussed.

• Research Organization: Department of Chemistry, University of California, Berkeley, California 94720
• OSTI ID: 5122020
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 73:7; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640420* -- Fluid Physics-- Properties & Structure of Fluids-- (-1987)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
AQUEOUS SOLUTIONS
CORRELATIONS
DISPERSIONS
INTERMOLECULAR FORCES
LENNARD-JONES POTENTIAL
MIXTURES
POTENTIALS
SOLUTIONS
STRUCTURE FACTORS