MD-SIMULATIONS OF WATER-ORGANIC SOLVENT MIXTURES

Molecular Dynamics simulations of aqueous solutions of organic solvent s have been briefly reviewed. Some details of tile simulation procedur e have been shortly discussed and those, which may affect the simulati on results, have been stressed. The most important models of water and of organic solvents are summarized. The results of MD simulations of mixtures of water with methanol, tert-butanol, acetonitrile and DMSO a re shown.