Electron solvation in aqueous reverse micelles: Equilibrium properties

Publication Type:

Journal Article

Authors:

Source:

Journal of Chemical Physics, Volume 117, Number 16, p.7712-7718 (2002)

URL:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-0037159398&doi=10.1063%2f1.1509449&partnerID=40&md5=ca9d94f8ac118933e21b1743fee38a86

Keywords:

Computer Simulation, Electron solvation, Electronic charge distribution, Electronic structure, Feynman path integral methods, Free energy, Ions, Micelles, Molecular dynamics, Phase equilibria, Quantum Theory, Solvents, Surface active agents

Abstract:

A microscopic study of electron solvation in reverse micelles was performed. The micellar model of Feeder and Ladanyi was adopted. The electron was treated by using discretized path integral techniques. It was shown that the solvated electron should exist in an equilibrium population of these states determined by the free energy profile.

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