An experimentalist point of view on quantitative elaboration of theoretical models

Abstract In a number of problems of solute–solute–solvent interaction, information on the geometrical structure of solvent in the near neighborhood of solute is now available. This was obtained from a variety of experiments as well as from numerical calculations. The present trend in computer simulation as well as an experimental techniques seems to appropriately be towards an extension of this information to include thermal disorder. Despite these efforts, other aspects of solute–solute–solvent interaction do not seem likely to find exhaustive answers through a study of the geometrical configurations of solvent molecules around the solute. More detailed calculations of inter- and intra-mol…