A VIEW OF THERMODYNAMICS OF HYDRATION EMERGING FROM CONTINUUM STUDIES

Main physical-chemical features of hydration found in continuum studies and possible limitations of the method are analyzed. Particular attention is given to: the choice of thermodynamic observables to be compared to the calculations; representations of the solute polarizability; compensation between the loss of hydration enthalpy and gain in Coulomb interactions upon a complex formation; two minima in interaction potentials between polar groups in solution; similarities and dissimilarities between interaction potentials in solution from continuum and molecular theories; continuum calculations of entropies of hydration; and evaluation of a temperature dependence of thermodynamic characteristics of hydration with continuum methods.