抄録
Two main streams in the molecular theories for partial molar volume are reviewed. The first stream is based on the scaled particle theory of liquids and its extension to polyatomic molecules; this has been used successfully in determining the solvation free energy of non-polar solutes in water. The second method employs the Kirkwood-Buff solution theory. This method is coupled to the integral equation theory of molecular liquids to calculate the partial molar volume of polyatomic molecules. The dependence of the partial molar volume on the conformational change of butane and a tripeptide is examined based on these methods.
