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Monte Carlo simulations of oppositely charged macroions in solution

Rydén, Jens LU ; Ullner, Magnus LU and Linse, Per LU (2005) In Journal of Chemical Physics 123(3). p.1-034909
Abstract
The structure and phase behavior of oppositely charged macroions in solution have been studied with Monte Carlo simulations using the primitive model where the macroions and small ions are described as charged hard spheres. Size and charge symmetric, size asymmetric, and charge asymmetric macroions at different electrostatic coupling strengths are considered, and the properties of the solutions have been examined using cluster size distribution functions, structure factors, and radial distribution functions. At increasing electrostatic coupling, the macroions form clusters and eventually the system displays a phase instability, in analogy to that of simple electrolyte solutions. The relation to the similar cluster formation and phase... (More)
The structure and phase behavior of oppositely charged macroions in solution have been studied with Monte Carlo simulations using the primitive model where the macroions and small ions are described as charged hard spheres. Size and charge symmetric, size asymmetric, and charge asymmetric macroions at different electrostatic coupling strengths are considered, and the properties of the solutions have been examined using cluster size distribution functions, structure factors, and radial distribution functions. At increasing electrostatic coupling, the macroions form clusters and eventually the system displays a phase instability, in analogy to that of simple electrolyte solutions. The relation to the similar cluster formation and phase instability occurring in solutions containing oppositely charged polymers is also discussed. (c) 2005 American Institute of Physics. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
123
issue
3
pages
1 - 034909
publisher
American Institute of Physics
external identifiers
  • wos:000230825800042
  • scopus:23744457006
ISSN
0021-9606
DOI
10.1063/1.1949191
language
English
LU publication?
yes
id
bc882333-bee5-44b9-b0b6-4519eabac102 (old id 157565)
date added to LUP
2007-07-12 10:54:45
date last changed
2017-01-01 04:43:10
@article{bc882333-bee5-44b9-b0b6-4519eabac102,
  abstract     = {The structure and phase behavior of oppositely charged macroions in solution have been studied with Monte Carlo simulations using the primitive model where the macroions and small ions are described as charged hard spheres. Size and charge symmetric, size asymmetric, and charge asymmetric macroions at different electrostatic coupling strengths are considered, and the properties of the solutions have been examined using cluster size distribution functions, structure factors, and radial distribution functions. At increasing electrostatic coupling, the macroions form clusters and eventually the system displays a phase instability, in analogy to that of simple electrolyte solutions. The relation to the similar cluster formation and phase instability occurring in solutions containing oppositely charged polymers is also discussed. (c) 2005 American Institute of Physics.},
  author       = {Rydén, Jens and Ullner, Magnus and Linse, Per},
  issn         = {0021-9606},
  language     = {eng},
  number       = {3},
  pages        = {1--034909},
  publisher    = {American Institute of Physics},
  series       = {Journal of Chemical Physics},
  title        = {Monte Carlo simulations of oppositely charged macroions in solution},
  url          = {http://dx.doi.org/10.1063/1.1949191},
  volume       = {123},
  year         = {2005},
}