The hydrophobic effect plays a predominant thermodynamic impetus for self-assembly. Theories of the hydrophobic driving force typically parse solvation into the introduction of an excluded volume solute into solution followed by the addition of realistic attractive interactions. Scaled-particle theory describes the process of introducing excluded volume cavities into solution over a range of sizes, from molecular scale to macroscopic scale solutes, relevant to self-assembly processes. In this presentation, we describe ongoing work in our group in applying scaled-particle theory to dissolution in aqueous, organic, Lennard-Jones, and Hard Sphere solvents. We also consider dissolution in the Lennard-Jones solvent from state points along the saturation curve well into the compressed liquid, as well as the extension of scaled-particle theory to cylindrical solutes. Results from model solvents are applied to water as a solvent as well in an effort to interpret hydrophobic contributions to solvation.

Scaled-particle theory and the thermodynamics of solvation over a range of states

243rd National Meeting (2012)

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