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Segue Between Favorable and Unfavorable Solvation

Lutz Maibaum·David Chandler
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Abstract

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 [Ann. Rev. Phys. Chem. 2002, 53, 533] and supports theories based upon that perspective.

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Lutz Maibaum, David Chandler. 2007-03-26. Segue Between Favorable and Unfavorable Solvation. https://doi.org/10.1021/jp072266z

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