Simulations of high-dielectric Stockmayer fluids in hyperspherical geometry.
Trulsson, Martin LU
(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:
https://lup.lub.lu.se/record/1732268
- author
- Trulsson, Martin
LU
- organization
- publishing date
- 2010
- 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}},
}