Dynamics of the solvent around a solute: generalized Langevin theory.
The generalized Langevin theory for a solution has been derived as the infinite dilution limit of the theory for a two component mixture. Following a similar formalism, the mode coupling approximations of the memory kernel have been also obtained. We have applied this method for one component bulk liquid of Lennard-Jones spheres and proved this approximation theoretically. The analysis of the space and time pair correlation proposed by Van Hove has been carried out as a function of solute particle sizes. It is found that the size of the solute particle is deeply related to the relaxation process of the solvation structure characterized around a solute particle at equilibrium. We have also investigated the relation between the different thermodynamic environments and relaxation process. From these studies, we have obtained the useful information about the rapidity of the relaxation of the solvation structure around a solute at equilibrium.
Ishizuka
R
R
Department of Chemistry and Biochemistry, University of California at San Diego, La Jolla, California 92039-0365, USA.
Hirata
F
F
D000465:Algorithms; D007700:Kinetics; D008956:Models, Chemical; D010316:Particle Size; D012996:Solutions / Q000737:chemistry*; D012997:Solvents / Q000737:chemistry*; D013816:Thermodynamics
D012996:Solutions; D012997:Solvents