Molecular theory of partial molar volume and its applications to biomolecular systems

Abstract

The paial molar volume (PMV) is a thermodynamic quantity which contains important information about the solute-solvent interactions as well as the solute structure in solution.Additionally, the PMV is the most essential quantity in the analysis of the pressure effect on chemical reactions. This aicle reviews the recent developments in molecular theories of the PMV, especially the reference interaction site model (RISM)theory of molecular liquids and its three-dimensional generalization version (3D-RISM), which are combined with the Kirkwood-Buff solution theory to calculate the PMV. This aicle also introduces our recent applications of the theory to some interesting issues concerning the PMV of biomolecules. In addition, theoretical representations of the effects of intramolecular fluctuation on the PMV, which are significant for biomacromolecules, are briefly discussed.

Keywords

• paial molar volume
• pressure effect
• biomolecular solution
• Kirkwood-Buff theory
• RISM theory