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Gunnar Karlström

Professor emeritus

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Dipolar Order in Molecular Fluids: I. Toward an Understanding

Author

  • Gunnar Karlström
  • Per Linse

Summary, in English

The origin behind the dipolar order in molecular fluids is investigated by using a simple dipolar fluid and Monte Carlo simulation technique. A penalty function is employed to separately manipulate the positional and orientational structure of the fluid. By considering the distance-dependent Kirkwood function G (k), which in turn is related to the dielectric permittivity of the fluid, it is observed that both positional and orientational ordering are involved to establish dipolar order.

Department/s

  • Computational Chemistry
  • Physical Chemistry

Publishing year

2011

Language

English

Pages

410-417

Publication/Series

Journal of Statistical Physics

Volume

145

Issue

2

Document type

Article

Publisher

Springer

Topic

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

Keywords

  • Dipolar order
  • Molecular fluid
  • Understanding
  • Penalty function

Status

Published

ISBN/ISSN/Other

  • ISSN: 1572-9613