The two one-dimensional models introduced in Part I are used to study the thermodynamics of solvation of inert solutes in water. It is shown that the anomalously large Gibbs energy of solvation of inert solutes in water, on one hand, and the large negative entropy of solvation, on the other hand, arise from different molecular sources. While the primitive model can give rise to a large positive solvation Gibbs energy, it fails to show large negative entropy and enthalpy of solvation. It is remarkable that the primitive cluster model can show both the large positive Gibbs energy and enthalpy of solvation.
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http://dx.doi.org/10.1063/1.2818067 | DOI Listing |
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