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Ion solvation dynamics in binary dipolar liquids: theoretical and simulation results for mixtures of Stockmayer liquids

✍ Scribed by Amalendu Chandra

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 409 KB
Volume: 235
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00085-i

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✦ Synopsis

A microscopic theory is described for the ion solvation dynamics in binary dipolar liquids. The theory is self-contained and properly includes inertial and non-Markovian effects which are extremely important in the fast initial phase of the relaxation. The theory also includes diffusional effects important at long times. Molecular dynamics simulation 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.

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✍ Biman Bagchi; Amalendu Chandra 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 501 KB

Theoretical expressions for the time-dependent salvation energy of an ion and of a dipole in a dense dipolar liquid are derived from microscopic considerations. We show that in contradiction to the prediction of the continuum models, the dynamics of these two species are significantly different from