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Simulations of high-dielectric Stockmayer fluids in hyperspherical geometry.

Trulsson, Martin LU orcid (2010) In Journal of Chemical Physics 133(17).
Abstract
The static dielectric properties of Stockmayer fluids are investigated in the hyperspherical geometry, S(3). Different methods of obtaining the static dielectric constant ε(r) are compared. Tested methods include the evaluation of the Kirkwood factor, fluctuations of the total dipole moment, and a two-center potential correlation formula to obtain the dielectric constant through effective interactions. With no coupling to the "surrounding," the different methods give consistent estimates of the dielectric constant. Adding a coupling to the surrounding gives large size dependencies and the two-center potential correlation formula breaks down. For low dipole moments, there is a good agreement in the dielectric constant with previous studies.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
133
issue
17
article number
174105
publisher
American Institute of Physics (AIP)
external identifiers
  • wos:000283936200006
  • pmid:21054004
  • scopus:78650633401
  • pmid:21054004
ISSN
0021-9606
DOI
10.1063/1.3495975
language
English
LU publication?
yes
additional info
The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
id
6cd80473-c51d-4354-8ee4-4f2d6dada679 (old id 1732268)
date added to LUP
2016-04-01 10:52:00
date last changed
2023-03-17 17:36:07
@article{6cd80473-c51d-4354-8ee4-4f2d6dada679,
  abstract     = {{The static dielectric properties of Stockmayer fluids are investigated in the hyperspherical geometry, S(3). Different methods of obtaining the static dielectric constant ε(r) are compared. Tested methods include the evaluation of the Kirkwood factor, fluctuations of the total dipole moment, and a two-center potential correlation formula to obtain the dielectric constant through effective interactions. With no coupling to the "surrounding," the different methods give consistent estimates of the dielectric constant. Adding a coupling to the surrounding gives large size dependencies and the two-center potential correlation formula breaks down. For low dipole moments, there is a good agreement in the dielectric constant with previous studies.}},
  author       = {{Trulsson, Martin}},
  issn         = {{0021-9606}},
  language     = {{eng}},
  number       = {{17}},
  publisher    = {{American Institute of Physics (AIP)}},
  series       = {{Journal of Chemical Physics}},
  title        = {{Simulations of high-dielectric Stockmayer fluids in hyperspherical geometry.}},
  url          = {{http://dx.doi.org/10.1063/1.3495975}},
  doi          = {{10.1063/1.3495975}},
  volume       = {{133}},
  year         = {{2010}},
}