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Classical van der Waals interactions between spherical bodies of dipolar fluid

Stenhammar, Joakim LU and Trulsson, Martin LU (2011) In Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)2001-01-01+01:002016-01-01+01:00 84(1).
Abstract
The van der Waals interaction free energy Aint between two spherical bodies of Stockmayer fluid across a

vacuum is calculated using molecular simulations and classical perturbation theory. The results are decomposed

into their electrostatic and Lennard-Jones parts, and the former is shown to agree excellently with predictions from

dielectric continuum theory. Aint is decomposed into its energetic and entropic contributions and the results are

compared with analytical predictions. Finally, we expand the electrostatic part of Aint in a multipole expansion,

and show that the surprisingly good agreement between the molecular and continuum descriptions is likely due to

a cancellation of... (More)
The van der Waals interaction free energy Aint between two spherical bodies of Stockmayer fluid across a

vacuum is calculated using molecular simulations and classical perturbation theory. The results are decomposed

into their electrostatic and Lennard-Jones parts, and the former is shown to agree excellently with predictions from

dielectric continuum theory. Aint is decomposed into its energetic and entropic contributions and the results are

compared with analytical predictions. Finally, we expand the electrostatic part of Aint in a multipole expansion,

and show that the surprisingly good agreement between the molecular and continuum descriptions is likely due to

a cancellation of errors coming from the neglect of the discrete nature of the fluid within the dielectric description. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)2001-01-01+01:002016-01-01+01:00
volume
84
issue
1
publisher
American Physical Society
external identifiers
  • wos:000293413000002
  • scopus:79961145524
ISSN
1539-3755
DOI
10.1103/PhysRevE.84.011117
language
English
LU publication?
yes
id
e7fbe39e-9a46-49a4-b33d-57ac08b41354 (old id 2059943)
alternative location
http://link.aps.org/doi/10.1103/PhysRevE.84.011117
date added to LUP
2011-08-05 09:08:20
date last changed
2017-01-01 03:26:41
@article{e7fbe39e-9a46-49a4-b33d-57ac08b41354,
  abstract     = {The van der Waals interaction free energy Aint between two spherical bodies of Stockmayer fluid across a<br/><br>
vacuum is calculated using molecular simulations and classical perturbation theory. The results are decomposed<br/><br>
into their electrostatic and Lennard-Jones parts, and the former is shown to agree excellently with predictions from<br/><br>
dielectric continuum theory. Aint is decomposed into its energetic and entropic contributions and the results are<br/><br>
compared with analytical predictions. Finally, we expand the electrostatic part of Aint in a multipole expansion,<br/><br>
and show that the surprisingly good agreement between the molecular and continuum descriptions is likely due to<br/><br>
a cancellation of errors coming from the neglect of the discrete nature of the fluid within the dielectric description.},
  articleno    = {011117},
  author       = {Stenhammar, Joakim and Trulsson, Martin},
  issn         = {1539-3755},
  language     = {eng},
  number       = {1},
  publisher    = {American Physical Society},
  series       = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)2001-01-01+01:002016-01-01+01:00},
  title        = {Classical van der Waals interactions between spherical bodies of dipolar fluid},
  url          = {http://dx.doi.org/10.1103/PhysRevE.84.011117},
  volume       = {84},
  year         = {2011},
}