Potential distribution and coupling parameter theories are combined to interrelate previous
solvation thermodynamic results and derive several new expressions for the solvent …

The solvation energy and entropy at infinite dilution consist of a solute− solvent term and a
solvent reorganization term representing the contributions of changes in solvent structure …

In the previous paper expressions for the partial molar energy and entropy at infinite dilution
have been derived based on the inhomogeneous forms of the energy equation and the …

The partial molar heat capacity associated with a constant-pressure solvation process is
extended to define a total of six generalized solvation heat capacities, each of which contain …

In this paper we examine the influence of solute size and insertion conditions on solvent
structural changes and excess thermodynamic properties in the infinite dilution limit. A …

The solvation shell model is a simple but powerful framework that has been used to analyze
solvation thermodynamics. 1–7 In this model, a solute molecule is considered to perturb the …

We performed molecular simulations to analyze the thermodynamics of methane solvation in
dimethyl sulfoxide (DMSO)/water mixtures (298 K, 1 atm). Two contributions to the …

The entropies of molecules in solution are often calculated using gas phase formulas. It is
assumed that, because implicit solvation models are fitted to reproduce free energies, this is …

A method is presented that uses integral equation theory to determine analytic temperature
derivatives of the radial distribution functions. It is illustrated by studying the solvation …

The free energy, energy, and entropy of solvation, relative to the pure liquid, are analyzed.
By a coupling parameter integration it is shown that only averages over the solute–solvent …