Volume 99, Number 3, August 2012
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||08 August 2012|
Calculation of local dielectric permittivity of confined liquids from spatial dipolar correlations
1 Institut de Physique de Rennes, UMR CNRS 6251, Université Rennes 1 263 avenue du Général Leclerc, 35042 Rennes, France, EU
2 Institut des Sciences Chimiques de Rennes, UMR 6226 CNRS, Université de Rennes 1 263 Avenue du Général Leclerc, 35042 Rennes, France, EU
3 Université Européenne de Bretagne - France, EU
Received: 18 May 2012
Accepted: 9 July 2012
We report the working expressions of calculation of local dielectric permittivity (ϵ(r)) under nanoconfinement from dipolar spatial correlations. Three confined geometries are investigated: planar, cylindrical and spherical interfaces. We apply these relations to the calculation of the local components of ϵ(r) of water confined in a porous silica framework. Microscopically we highlight that the dielectric profile is correlated to the density of water and hydrogen bonding network.
PACS: 77.22.Ch – Permittivity (dielectric function) / 61.20.Ja – Computer simulation of liquid structure / 68.08.-p – Liquid-solid interfaces
© EPLA, 2012
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