On the calculation of the structure of charge-stabilized colloidal dispersions using density-dependent potentials
(2012) In Journal of Physics: Condensed Matter 24(6).- Abstract
- The structure of charge-stabilized colloidal dispersions has been studied through a one-component model using a Yukawa potential with density-dependent parameters examined with integral equation theory and Monte Carlo simulations. Partial thermodynamic consistency was guaranteed by considering the osmotic pressure of the dispersion from the approximate mean-field renormalized jellium and Poisson-Boltzmann cell models. The colloidal structures could be accurately described by the Ornstein-Zernike equation with the Rogers-Young closure by using the osmotic pressure from the renormalized jellium model. Although we explicitly show that the correct effective pair-potential obtained from the inverse Monte Carlo method deviates from the Yukawa... (More)
- The structure of charge-stabilized colloidal dispersions has been studied through a one-component model using a Yukawa potential with density-dependent parameters examined with integral equation theory and Monte Carlo simulations. Partial thermodynamic consistency was guaranteed by considering the osmotic pressure of the dispersion from the approximate mean-field renormalized jellium and Poisson-Boltzmann cell models. The colloidal structures could be accurately described by the Ornstein-Zernike equation with the Rogers-Young closure by using the osmotic pressure from the renormalized jellium model. Although we explicitly show that the correct effective pair-potential obtained from the inverse Monte Carlo method deviates from the Yukawa shape, the osmotic pressure constraint allows us to have a good description of the colloidal structure without losing information on the system thermodynamics. Our findings are corroborated by primitive model simulations of salt-free colloidal dispersions. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2406463
- author
- Castaneda-Priego, R. ; Lobaskin, V. ; Mixteco-Sanchez, J. C. ; Rojas-Ochoa, L. F. and Linse, Per LU
- organization
- publishing date
- 2012
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Physics: Condensed Matter
- volume
- 24
- issue
- 6
- publisher
- IOP Publishing
- external identifiers
-
- wos:000300260100019
- scopus:84856365148
- pmid:22231780
- ISSN
- 1361-648X
- DOI
- 10.1088/0953-8984/24/6/065102
- language
- English
- LU publication?
- yes
- id
- 32660b24-82e1-4867-a151-1badbe448d8c (old id 2406463)
- date added to LUP
- 2016-04-01 13:41:33
- date last changed
- 2022-01-27 20:31:47
@article{32660b24-82e1-4867-a151-1badbe448d8c, abstract = {{The structure of charge-stabilized colloidal dispersions has been studied through a one-component model using a Yukawa potential with density-dependent parameters examined with integral equation theory and Monte Carlo simulations. Partial thermodynamic consistency was guaranteed by considering the osmotic pressure of the dispersion from the approximate mean-field renormalized jellium and Poisson-Boltzmann cell models. The colloidal structures could be accurately described by the Ornstein-Zernike equation with the Rogers-Young closure by using the osmotic pressure from the renormalized jellium model. Although we explicitly show that the correct effective pair-potential obtained from the inverse Monte Carlo method deviates from the Yukawa shape, the osmotic pressure constraint allows us to have a good description of the colloidal structure without losing information on the system thermodynamics. Our findings are corroborated by primitive model simulations of salt-free colloidal dispersions.}}, author = {{Castaneda-Priego, R. and Lobaskin, V. and Mixteco-Sanchez, J. C. and Rojas-Ochoa, L. F. and Linse, Per}}, issn = {{1361-648X}}, language = {{eng}}, number = {{6}}, publisher = {{IOP Publishing}}, series = {{Journal of Physics: Condensed Matter}}, title = {{On the calculation of the structure of charge-stabilized colloidal dispersions using density-dependent potentials}}, url = {{http://dx.doi.org/10.1088/0953-8984/24/6/065102}}, doi = {{10.1088/0953-8984/24/6/065102}}, volume = {{24}}, year = {{2012}}, }