Molecular Theory of Solvation presents the recent progress in the
statistical mechanics of molecular liquids applied to the most
intriguing problems in chemistry today, including chemical reactions,
conformational stability of biomolecules, ion hydration, and
electrode-solution interface. The continuum model of "solvation" has
played a dominant role in describing chemical processes in solution
during the last century. This book discards and replaces it completely
with molecular theory taking proper account of chemical specificity of
solvent.
The main machinery employed here is the reference-interaction-site-model
(RISM) theory, which is combined with other tools in theoretical
chemistry and physics: the ab initio and density functional theories in
quantum chemistry, the generalized Langevin theory, and the molecular
simulation techniques.
This book will be of benefit to graduate students and industrial
scientists who are struggling to find a better way of accounting and/or
predicting "solvation" properties.