Coarse-Graining Intermolecular Interactions in Dispersions of Highly Charged Colloids
(2012) In Langmuir 28(11). p.4926-4930- Abstract
- Effective pair potentials between charged colloids, obtained from Monte Carlo simulations of two single colloids in a closed cell at the primitive model level, are shown to reproduce accurately the structure of aqueous salt-free colloidal dispersions, as determined from full primitive model simulations by Linse et al. (Linse, P.; Lobaskin, V. Electrostatic Attraction and Phase Separation in Solutions of Like-Charged Colloidal Particles. Phys. Rev. Lett. 1999, 83, 4208). Excellent agreement is obtained even when ion-ion correlations are important and is in principle not limited to spherical particles, providing a potential route to coarse-grained colloidal interactions in more complex systems.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2495082
- author
- Turesson, Martin ; Jönsson, Bo LU and Labbez, Christophe
- organization
- publishing date
- 2012
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Langmuir
- volume
- 28
- issue
- 11
- pages
- 4926 - 4930
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- wos:000301636900005
- scopus:84858791098
- pmid:22404737
- ISSN
- 0743-7463
- DOI
- 10.1021/la3005008
- 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
- 589458e5-3687-4bb0-90d2-f471383dcb0c (old id 2495082)
- date added to LUP
- 2016-04-01 10:00:01
- date last changed
- 2023-04-03 02:20:18
@article{589458e5-3687-4bb0-90d2-f471383dcb0c, abstract = {{Effective pair potentials between charged colloids, obtained from Monte Carlo simulations of two single colloids in a closed cell at the primitive model level, are shown to reproduce accurately the structure of aqueous salt-free colloidal dispersions, as determined from full primitive model simulations by Linse et al. (Linse, P.; Lobaskin, V. Electrostatic Attraction and Phase Separation in Solutions of Like-Charged Colloidal Particles. Phys. Rev. Lett. 1999, 83, 4208). Excellent agreement is obtained even when ion-ion correlations are important and is in principle not limited to spherical particles, providing a potential route to coarse-grained colloidal interactions in more complex systems.}}, author = {{Turesson, Martin and Jönsson, Bo and Labbez, Christophe}}, issn = {{0743-7463}}, language = {{eng}}, number = {{11}}, pages = {{4926--4930}}, publisher = {{The American Chemical Society (ACS)}}, series = {{Langmuir}}, title = {{Coarse-Graining Intermolecular Interactions in Dispersions of Highly Charged Colloids}}, url = {{http://dx.doi.org/10.1021/la3005008}}, doi = {{10.1021/la3005008}}, volume = {{28}}, year = {{2012}}, }