ION SOLVATION DYNAMICS IN BINARY DIPOLAR LIQUIDS - THEORETICAL AND SIMULATION RESULTS FOR MIXTURES OF STOCKMAYER LIQUIDS

Authors
Citation
A. Chandra, ION SOLVATION DYNAMICS IN BINARY DIPOLAR LIQUIDS - THEORETICAL AND SIMULATION RESULTS FOR MIXTURES OF STOCKMAYER LIQUIDS, Chemical physics letters, 235(1-2), 1995, pp. 133-139
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
235
Issue
1-2
Year of publication
1995
Pages
133 - 139
Database
ISI
SICI code
0009-2614(1995)235:1-2<133:ISDIBD>2.0.ZU;2-T
Abstract
A microscopic theory is described for the ion solvation dynamics in bi nary dipolar liquids. The theory is self-contained and properly includ es inertial and non-Markovian effects which are extremely important in the fast initial phase of the relaxation. The theory also includes di ffusional effects important at long times. Molecular dynamics simulati on results are also presented for the solvation dynamics in two model dipolar mixtures. The theoretical predictions are found to be in good agreement with the simulation results.