Calculation of local dielectric permittivity of confined liquids from spatial dipolar correlations

被引：36

作者：

Ghoufi, A. ^{[1
]}

Szymczyk, A. ^{[2
]}

Renou, R. ^{[1
,2
,3
]}

Ding, M. ^{[1
,2
,3
]}

机构：

[1] Univ Rennes 1, Inst Phys Rennes, CNRS, UMR 6251, F-35042 Rennes, France

[2] Univ Rennes 1, Inst Sci Chim Rennes, CNRS, UMR 6226, F-35042 Rennes, France

[3] Univ Europeenne Bretagne, Bretagne, France

来源：

EPL | 2012年 / 99卷 / 03期

关键词：

MOLECULAR-DYNAMICS SIMULATION; WATER; CRYSTALS; CHANNELS;

D O I：

10.1209/0295-5075/99/37008

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We report the working expressions of calculation of local dielectric permittivity (epsilon(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 epsilon(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. Copyright (C) EPLA, 2012

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页数：6

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