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Journal of Statistical Physics

, Volume 145, Issue 2, pp 410–417 | Cite as

Dipolar Order in Molecular Fluids: I. Toward an Understanding

  • Gunnar Karlström
  • Per Linse
Open Access
Article

Abstract

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.

Keywords

Dipolar order Molecular fluid Understanding Penalty function 

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Copyright information

© The Author(s) 2011

Authors and Affiliations

  1. 1.Division of Theoretical Chemistry, Department of ChemistryLund UniversityLundSweden
  2. 2.Division of Physical Chemistry, Department of ChemistryLund UniversityLundSweden

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