Segue between favorable and unfavorable solvation

Maibaum, L (Maibaum, Lutz); Chandler, D (Chandler, David)

JOURNAL OF PHYSICAL CHEMISTRY B, 111 (30): 9025-9030 AUG 2 2007

DOI: 10.1021/jp072266z

Solvation of small and large clusters are studied by simulation, considering a range of solvent-solute attractive energy strengths. Over a wide range of conditions, both for solvation in the Lennard-Jones liquid and in the SPC model of water, it is shown that the mean solvent density varies linearly with changes in solvent-solute adhesion or attractive energy strength. This behavior is understood from the perspective of Weeks' theory of solvation (Annu. Rev. Phys. Chem.2002, 53, 533) and supports theories based upon that perspective.

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