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Oppositely charged polyelectrolytes. Complex formation and effects of chain asymmetry

Hayashi, Yoshikatsu LU ; Ullner, Magnus LU and Linse, Per LU (2004) In The Journal of Physical Chemistry Part B 108(39). p.15266-15277
Abstract
The formation of complexes in solutions of oppositely charged polyions has been studied by Monte Carlo simulations. The amount as well as the length, and thus, the absolute charge of one of the polyions have been varied. There is an increasing tendency to form large clusters as the excess of one kind of polyion decreases. When all polyions have the same length, this tendency reaches a maximum near, but off, equivalent amounts of the two types of polyions. When one kind of polyion is made shorter, the propensity to form large clusters decreases and the fluctuations in cluster charge increases. Simple free-energy expressions have been formulated on the basis of a set of simple rules that help rationalize the observations. By calculating... (More)
The formation of complexes in solutions of oppositely charged polyions has been studied by Monte Carlo simulations. The amount as well as the length, and thus, the absolute charge of one of the polyions have been varied. There is an increasing tendency to form large clusters as the excess of one kind of polyion decreases. When all polyions have the same length, this tendency reaches a maximum near, but off, equivalent amounts of the two types of polyions. When one kind of polyion is made shorter, the propensity to form large clusters decreases and the fluctuations in cluster charge increases. Simple free-energy expressions have been formulated on the basis of a set of simple rules that help rationalize the observations. By calculating cluster distributions in both grand canonical and canonical ensembles, it has been possible to show the extent of finite-size effects in the simulations. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
108
issue
39
pages
15266 - 15277
publisher
The American Chemical Society
external identifiers
  • wos:000224070200068
  • scopus:6344284888
ISSN
1520-5207
DOI
10.1021/jp048267y
language
English
LU publication?
yes
id
1545304d-5e55-4d7f-8595-90b2217dd581 (old id 139591)
date added to LUP
2007-07-11 12:09:50
date last changed
2017-07-09 04:18:45
@article{1545304d-5e55-4d7f-8595-90b2217dd581,
  abstract     = {The formation of complexes in solutions of oppositely charged polyions has been studied by Monte Carlo simulations. The amount as well as the length, and thus, the absolute charge of one of the polyions have been varied. There is an increasing tendency to form large clusters as the excess of one kind of polyion decreases. When all polyions have the same length, this tendency reaches a maximum near, but off, equivalent amounts of the two types of polyions. When one kind of polyion is made shorter, the propensity to form large clusters decreases and the fluctuations in cluster charge increases. Simple free-energy expressions have been formulated on the basis of a set of simple rules that help rationalize the observations. By calculating cluster distributions in both grand canonical and canonical ensembles, it has been possible to show the extent of finite-size effects in the simulations.},
  author       = {Hayashi, Yoshikatsu and Ullner, Magnus and Linse, Per},
  issn         = {1520-5207},
  language     = {eng},
  number       = {39},
  pages        = {15266--15277},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {Oppositely charged polyelectrolytes. Complex formation and effects of chain asymmetry},
  url          = {http://dx.doi.org/10.1021/jp048267y},
  volume       = {108},
  year         = {2004},
}