A VIEW OF THERMODYNAMICS OF HYDRATION EMERGING FROM CONTINUUM STUDIES

Main physical-chemical features of hydration found in continuum studie s and possible limitations of the method are analyzed. Particular atte ntion is given to: the choice of thermodynamic observables to be compa red to the calculations; representations of the solute polarizability; compensation between the loss of hydration enthalpy and gain in Coulo mb interactions upon a complex formation; two minima in interaction po tentials between polar groups in solution; similarities and dissimilar ities between interaction potentials in solution from continuum and mo lecular theories; continuum calculations of entropies of hydration; an d evaluation of a temperature dependence of thermodynamic characterist ics of hydration with continuum methods.