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Branched-linear polyion complexes investigated by Monte Carlo simulations

Angelescu, Daniel G. and Linse, Per LU (2014) In Soft Matter 10(32). p.6047-6058
Abstract
Complexes formed by one charged and branched copolymer with an oppositely charged and linear polyion have been investigated by Monte Carlo simulations. A coarse-grained description has been used, in which the main chain of the branched polyion and the linear polyion possess the same absolute charge and charge density. The spatial extension and other structural properties, such as bond-angle orientational correlation function, asphericity, and scaling analysis of formed complexes, at varying branching density and side-chain length of the branched polyion, have been explored. In particular, the balance between cohesive Coulomb attraction and side-chain repulsions resulted in two main structures of a polyion complex. These structures are (i)... (More)
Complexes formed by one charged and branched copolymer with an oppositely charged and linear polyion have been investigated by Monte Carlo simulations. A coarse-grained description has been used, in which the main chain of the branched polyion and the linear polyion possess the same absolute charge and charge density. The spatial extension and other structural properties, such as bond-angle orientational correlation function, asphericity, and scaling analysis of formed complexes, at varying branching density and side-chain length of the branched polyion, have been explored. In particular, the balance between cohesive Coulomb attraction and side-chain repulsions resulted in two main structures of a polyion complex. These structures are (i) a globular polyion core surrounded by side chains appearing at low branching density and (ii) an extended polyion core with side chains still being expelled at high branching density. The globule-to-extended transition occurred at a crossover branching density being practically independent of the side chain length. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Soft Matter
volume
10
issue
32
pages
6047 - 6058
publisher
Royal Society of Chemistry
external identifiers
  • wos:000340474400019
  • scopus:84905031804
ISSN
1744-6848
DOI
10.1039/c4sm01055h
language
English
LU publication?
yes
id
560584f6-48fd-4ca1-8149-1aa835f01f16 (old id 4659418)
date added to LUP
2014-09-24 15:58:18
date last changed
2017-10-01 04:09:00
@article{560584f6-48fd-4ca1-8149-1aa835f01f16,
  abstract     = {Complexes formed by one charged and branched copolymer with an oppositely charged and linear polyion have been investigated by Monte Carlo simulations. A coarse-grained description has been used, in which the main chain of the branched polyion and the linear polyion possess the same absolute charge and charge density. The spatial extension and other structural properties, such as bond-angle orientational correlation function, asphericity, and scaling analysis of formed complexes, at varying branching density and side-chain length of the branched polyion, have been explored. In particular, the balance between cohesive Coulomb attraction and side-chain repulsions resulted in two main structures of a polyion complex. These structures are (i) a globular polyion core surrounded by side chains appearing at low branching density and (ii) an extended polyion core with side chains still being expelled at high branching density. The globule-to-extended transition occurred at a crossover branching density being practically independent of the side chain length.},
  author       = {Angelescu, Daniel G. and Linse, Per},
  issn         = {1744-6848},
  language     = {eng},
  number       = {32},
  pages        = {6047--6058},
  publisher    = {Royal Society of Chemistry},
  series       = {Soft Matter},
  title        = {Branched-linear polyion complexes investigated by Monte Carlo simulations},
  url          = {http://dx.doi.org/10.1039/c4sm01055h},
  volume       = {10},
  year         = {2014},
}