Advanced

Diblock polyampholytes grafted onto spherical particles: Monte Carlo simulation and lattice mean-field theory

Akinchina, Anna LU ; Shusharina, N P and Linse, Per LU (2004) In Langmuir 20(23). p.10351-10360
Abstract
Spherical brushes composed of diblock polyampholytes (diblock copolymers with oppositely charged blocks) grafted onto solid spherical particles in aqueous solution are investigated by using the primitive model solved with Monte Carlo simulations and by lattice mean-field theory. Polyampholyte chains of two compositions are considered: a copolymer with a long and a short block, A(100)B(10), and a copolymer with two blocks of equal length, A(50)B(50). The B block is end-grafted onto the surface, and its charge is varied, whereas the charge of the A block is fixed. Single-chain properties, radial and lateral spatial distributions of different types, and structure factors are analyzed. The brush structure strongly depends on the charge of the... (More)
Spherical brushes composed of diblock polyampholytes (diblock copolymers with oppositely charged blocks) grafted onto solid spherical particles in aqueous solution are investigated by using the primitive model solved with Monte Carlo simulations and by lattice mean-field theory. Polyampholyte chains of two compositions are considered: a copolymer with a long and a short block, A(100)B(10), and a copolymer with two blocks of equal length, A(50)B(50). The B block is end-grafted onto the surface, and its charge is varied, whereas the charge of the A block is fixed. Single-chain properties, radial and lateral spatial distributions of different types, and structure factors are analyzed. The brush structure strongly depends on the charge of the B block. In the limit of an uncharged B block, the chains are stretched and form an extended polyelectrolyte brush. In the other limit with the charges of the blocks compensating each other, the chains are collapsed and form a polyelectrolyte complex surrounding the particles. At intermediate charge conditions, a polyelectrolyte brush and a polyelectrolyte complex coexist and constitute two substructures of the spherical brush. The differences of the brush structures formed by the A(100)B(10) and A(50)B(50) polyampholytes are also analyzed. Finally, a comparison of the predictions of the two theoretical approaches is made. (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
Langmuir
volume
20
issue
23
pages
10351 - 10360
publisher
The American Chemical Society
external identifiers
  • wos:000224981600070
  • scopus:9144247109
ISSN
0743-7463
DOI
10.1021/la0490386
language
English
LU publication?
yes
id
57ad0230-17b8-43fb-834e-d89c377afc3b (old id 153893)
date added to LUP
2007-06-26 10:26:46
date last changed
2017-09-17 04:26:53
@article{57ad0230-17b8-43fb-834e-d89c377afc3b,
  abstract     = {Spherical brushes composed of diblock polyampholytes (diblock copolymers with oppositely charged blocks) grafted onto solid spherical particles in aqueous solution are investigated by using the primitive model solved with Monte Carlo simulations and by lattice mean-field theory. Polyampholyte chains of two compositions are considered: a copolymer with a long and a short block, A(100)B(10), and a copolymer with two blocks of equal length, A(50)B(50). The B block is end-grafted onto the surface, and its charge is varied, whereas the charge of the A block is fixed. Single-chain properties, radial and lateral spatial distributions of different types, and structure factors are analyzed. The brush structure strongly depends on the charge of the B block. In the limit of an uncharged B block, the chains are stretched and form an extended polyelectrolyte brush. In the other limit with the charges of the blocks compensating each other, the chains are collapsed and form a polyelectrolyte complex surrounding the particles. At intermediate charge conditions, a polyelectrolyte brush and a polyelectrolyte complex coexist and constitute two substructures of the spherical brush. The differences of the brush structures formed by the A(100)B(10) and A(50)B(50) polyampholytes are also analyzed. Finally, a comparison of the predictions of the two theoretical approaches is made.},
  author       = {Akinchina, Anna and Shusharina, N P and Linse, Per},
  issn         = {0743-7463},
  language     = {eng},
  number       = {23},
  pages        = {10351--10360},
  publisher    = {The American Chemical Society},
  series       = {Langmuir},
  title        = {Diblock polyampholytes grafted onto spherical particles: Monte Carlo simulation and lattice mean-field theory},
  url          = {http://dx.doi.org/10.1021/la0490386},
  volume       = {20},
  year         = {2004},
}