ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The use of the mean spherical approximation (MSA) in the study of dynamics of polar fluids is further explored in two ways. First, the recent result of Wolynes [J. Chem. Phys. 86, 5133 (1987)] showing that solvation dynamics can be extracted from the static solution of the MSA is further investigated. The solvation of a dipole in a dipolar fluid is calculated, and compared with an ion in a dipolar fluid. Both cases reduce to simple numerical quadrature. Second, the Smoluchowski–Vlasov equation (SVE) of Calef and Wolynes [J. Chem. Phys. 78, 4145 (1983)] is also reexamined. Using the analytic MSA results, a new set of relaxation times can be defined. In both sections, structural relaxation occurs with multiple relaxation times.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.454901
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