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Gunnar Karlström

Professor emeritus

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Anisotropic electric fluctuations in polar liquids under spherical confinement

Author

  • Joakim Stenhammar
  • Per Linse
  • Gunnar Karlström

Summary, in English

The anisotropic local electric fluctuations within a nanoscopic sphere of a polar fluid surrounded by vacuum are analysed using dielectric theory and molecular simulation. The electric fluctuations are characterized through the mean-square multipole moments (Q(l)(2)), which are related to the dielectric constant of the fluid. The results show that the fluctuations are suppressed close to the fluid boundary, with a stronger effect on the fluctuations perpendicular as compared to those parallel to the surface. Furthermore, the effect becomes weaker and more short-ranged as the order l of the fluctuating multipole moments is increased. The agreement between the results from dielectric theory and those from molecular simulations are satisfactory, in spite of the inhomogeneous density of the molecular system.

Department/s

  • Physical Chemistry
  • Computational Chemistry

Publishing year

2011

Language

English

Pages

11-20

Publication/Series

Molecular Physics

Volume

109

Issue

1

Document type

Paper in conference proceeding

Publisher

Taylor & Francis

Topic

  • Theoretical Chemistry (including Computational Chemistry)
  • Physical Chemistry (including Surface- and Colloid Chemistry)

Keywords

  • polar liquids
  • confined liquids
  • dielectric properties

Conference name

8th Liblice Conference on the Statistical Mechanics of LIquids

Conference date

2010-06-13 - 2010-06-18

Conference place

Brno, Czech Republic

Status

Published

Report number

109

ISBN/ISSN/Other

  • ISSN: 1362-3028
  • ISSN: 0026-8976