Diblock polyampholytes grafted onto spherical particles: Monte Carlo simulation and lattice mean-field theory
(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:
https://lup.lub.lu.se/record/153893
- author
- Akinchina, Anna LU ; Shusharina, N P and Linse, Per LU
- organization
- publishing date
- 2004
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Langmuir
- volume
- 20
- issue
- 23
- pages
- 10351 - 10360
- publisher
- The American Chemical Society (ACS)
- 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
- 2016-04-01 11:32:52
- date last changed
- 2022-02-18 01:39:37
@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 (ACS)}},
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}},
doi = {{10.1021/la0490386}},
volume = {{20}},
year = {{2004}},
}