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Monte Carlo simulation of polyelectrolyte gels: Effects of polydispersity and topological defects

Edgecombe, Samuel LU and Linse, Per LU (2007) In Macromolecules 40(10). p.3868-3875
Abstract
Volumes and other structural properties of polyelectrolyte gels in equilibrium with pure water have been determined by Monte Carlo simulations. The role of chain length polydispersity and topological network defects of four different networks with varying cross-linking density, monomer charge, and chain stiffness have been investigated. Generally, a chain length polydispersity reduced the gel volume, whereas the presence of chains with one end detached from the cross-linker (severed chains) led to an increased gel volume. Polyelectrolyte networks displayed the largest and uncharged polymer networks the smallest dependence on chain length polydispersity. The effect of severed chains was strongest for flexible polyelectrolyte gels and... (More)
Volumes and other structural properties of polyelectrolyte gels in equilibrium with pure water have been determined by Monte Carlo simulations. The role of chain length polydispersity and topological network defects of four different networks with varying cross-linking density, monomer charge, and chain stiffness have been investigated. Generally, a chain length polydispersity reduced the gel volume, whereas the presence of chains with one end detached from the cross-linker (severed chains) led to an increased gel volume. Polyelectrolyte networks displayed the largest and uncharged polymer networks the smallest dependence on chain length polydispersity. The effect of severed chains was strongest for flexible polyelectrolyte gels and weakest for uncharged networks and stiff polyelectrolyte gels. Mechanical properties of uncharged and charged polymer gels were also investigated through uniaxially stretching and compared with theory. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Macromolecules
volume
40
issue
10
pages
3868 - 3875
publisher
The American Chemical Society
external identifiers
  • wos:000246280600051
  • scopus:34249698630
ISSN
0024-9297
DOI
10.1021/ma0700633
language
English
LU publication?
yes
id
23c8744b-d3c7-48c8-a855-c2f80ef8e1a6 (old id 662529)
date added to LUP
2007-12-11 19:48:28
date last changed
2017-09-03 03:57:47
@article{23c8744b-d3c7-48c8-a855-c2f80ef8e1a6,
  abstract     = {Volumes and other structural properties of polyelectrolyte gels in equilibrium with pure water have been determined by Monte Carlo simulations. The role of chain length polydispersity and topological network defects of four different networks with varying cross-linking density, monomer charge, and chain stiffness have been investigated. Generally, a chain length polydispersity reduced the gel volume, whereas the presence of chains with one end detached from the cross-linker (severed chains) led to an increased gel volume. Polyelectrolyte networks displayed the largest and uncharged polymer networks the smallest dependence on chain length polydispersity. The effect of severed chains was strongest for flexible polyelectrolyte gels and weakest for uncharged networks and stiff polyelectrolyte gels. Mechanical properties of uncharged and charged polymer gels were also investigated through uniaxially stretching and compared with theory.},
  author       = {Edgecombe, Samuel and Linse, Per},
  issn         = {0024-9297},
  language     = {eng},
  number       = {10},
  pages        = {3868--3875},
  publisher    = {The American Chemical Society},
  series       = {Macromolecules},
  title        = {Monte Carlo simulation of polyelectrolyte gels: Effects of polydispersity and topological defects},
  url          = {http://dx.doi.org/10.1021/ma0700633},
  volume       = {40},
  year         = {2007},
}