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Solvent effects on chemical systems

Cavity surfaces Earliest continuum models made use of oversimplified cavities for the insertion of the solute in the dielectric medium such as spheres or ellipsoids. In the last decades, the concept of molecular surface as become more common. Thus, the surface has been used in microscopic models of solution. Linear relationships were also found between molecular surfaces and solvation free energies. Moreover, given that molecular surfaces can help us in the calculation of the interaction of a solute molecule with surroundings of solvent molecules, they are one of the main tools in understanding the solution processes and solvent effects on chemical systems. Another popular application is the generation of graphic displays. ... [Pg.23]

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