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General dynamic equation overview

This section furnishes a brief overview of the general formulation of the hydrodynamics of suspensions. Basic kinematical and dynamical microscale equations are presented, and their main attributes are described. Solutions of the many-body problem in low Reynolds-number flows are then briefly exposed. Finally, the microscale equations are embedded in a statistical framework, and relevant volume and surface averages are defined, which is a prerequisite to describing the macroscale properties of the suspension. [Pg.6]

The theory of solvent-effects and some of its applications are overviewed. The generalized selfcon-sistent reaction field (SCRF)theory has been used to give a unified approach to quantum chemical calculations of subsystems embedded in a given milieu. The statistical mechanical theory of projected equations of motion has been briefly described. This theory underlies applications of molecular dynamics simulations to the study of solvent and thermal bath effects on carefully defined subsystem of interest. The relationship between different approaches used so far to calculate solvent effects and the general SCRF has been established. Recent work using the continuum approach to model the surrounding media is overviewed. Monte Carlo and molecular dynamics studies of solvent effects on molecular properties and chemical reactions together with simulations of solvent effects on protein structure and dynamics are reviewed. [Pg.435]


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See also in sourсe #XX -- [ Pg.306 ]




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