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Phase Behavior in Suspensions of Highly Charged Colloids.

Brukhno, Andrey V ; Åkesson, Torbjörn LU and Jönsson, Bo LU (2009) In The Journal of Physical Chemistry Part B 113(19). p.6766-6774
Abstract
Attractive interactions between like-charged aggregates (macromolecules, colloidal particles, or micelles) in solution due to electrostatic correlation effects are revisited. The associated phenomenon of phase separation in a colloidal solution of highly charged particles is directly observed in Monte Carlo simulations. We start with a simple, yet instructive, description of polarization effects in a "cloud" of counterions around a single charged aggregate and show how the ion-ion correlations can be mapped onto a classical analogue of the quantum-mechanical dispersion force. We then extend our treatment to the effective pair interaction between two such aggregates and provide an analysis of different interaction regimes, based on a simple... (More)
Attractive interactions between like-charged aggregates (macromolecules, colloidal particles, or micelles) in solution due to electrostatic correlation effects are revisited. The associated phenomenon of phase separation in a colloidal solution of highly charged particles is directly observed in Monte Carlo simulations. We start with a simple, yet instructive, description of polarization effects in a "cloud" of counterions around a single charged aggregate and show how the ion-ion correlations can be mapped onto a classical analogue of the quantum-mechanical dispersion force. We then extend our treatment to the effective pair interaction between two such aggregates and provide an analysis of different interaction regimes, based on a simple coupling parameter. By computing the potential of mean force, we illustrate the physics behind the crossover between the regimes of pure repulsion and attraction with increasing counterion valency. Finally, we turn to semi grand NpT simulations of the corresponding bulk systems where mono- and multivalent ions can exchange with an external reservoir. Thus, the coagulation and phase separation phenomena, widely observed and used in real-life applications, are directly studied in these computer simulations. (Less)
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author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
113
issue
19
pages
6766 - 6774
publisher
The American Chemical Society (ACS)
external identifiers
  • wos:000265888100024
  • pmid:19368363
  • scopus:67650084579
  • pmid:19368363
ISSN
1520-5207
DOI
10.1021/jp811147v
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
40508cda-6455-4e56-8c08-2ecd83a820d7 (old id 1392079)
date added to LUP
2016-04-01 12:57:20
date last changed
2021-06-23 01:10:26
@article{40508cda-6455-4e56-8c08-2ecd83a820d7,
  abstract     = {Attractive interactions between like-charged aggregates (macromolecules, colloidal particles, or micelles) in solution due to electrostatic correlation effects are revisited. The associated phenomenon of phase separation in a colloidal solution of highly charged particles is directly observed in Monte Carlo simulations. We start with a simple, yet instructive, description of polarization effects in a "cloud" of counterions around a single charged aggregate and show how the ion-ion correlations can be mapped onto a classical analogue of the quantum-mechanical dispersion force. We then extend our treatment to the effective pair interaction between two such aggregates and provide an analysis of different interaction regimes, based on a simple coupling parameter. By computing the potential of mean force, we illustrate the physics behind the crossover between the regimes of pure repulsion and attraction with increasing counterion valency. Finally, we turn to semi grand NpT simulations of the corresponding bulk systems where mono- and multivalent ions can exchange with an external reservoir. Thus, the coagulation and phase separation phenomena, widely observed and used in real-life applications, are directly studied in these computer simulations.},
  author       = {Brukhno, Andrey V and Åkesson, Torbjörn and Jönsson, Bo},
  issn         = {1520-5207},
  language     = {eng},
  number       = {19},
  pages        = {6766--6774},
  publisher    = {The American Chemical Society (ACS)},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {Phase Behavior in Suspensions of Highly Charged Colloids.},
  url          = {http://dx.doi.org/10.1021/jp811147v},
  doi          = {10.1021/jp811147v},
  volume       = {113},
  year         = {2009},
}