Partial solvation parameters and the equation-of-state approach

Partial solvation parameters (PSP) are molecular descriptors sharing features with the widely used Abraham's LSER molecular descriptors and Hansen's Solubility Parameters. The present work attempts to place PSPs in an equation-of-state framework so that they can be used over an extended range of external temperature and pressure in a consistent manner. In such a framework, the external temperature and pressure dictates the density of the system which, in turn, changes PSPs. In addition, such a framework provides with operational definitions of PSPs which are most useful for their determination from a variety of experimental data. The alternative ways of expressing hydrogen-bonding interactions via PSPs is discussed. The predictive potential of this new approach is also discussed.