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Lateral interactions in brush layers of bottle-brush polymers.

Wernersson, Erik LU and Linse, Per LU (2014) In Langmuir 30(37). p.11117-11121
Abstract
We used isotension-ensemble Monte Carlo simulations to study the properties of brush layers of bottle-brush polymers under lateral compression. The polymers were represented by a freely jointed hard-bead model with one side chain grafted to each bead of the main chain, and we considered variations in side-chain length and bead size. Brush properties, including brush height and surface pressure, were analyzed in the context of a generalized box model. The surface pressure was found to have a steeper dependence on the grafting density than predicted by classical theories of polymer brushes. This discrepancy could be traced to the equation of state of the polymer fluid composing the brush, which was found to be more reminiscent of the... (More)
We used isotension-ensemble Monte Carlo simulations to study the properties of brush layers of bottle-brush polymers under lateral compression. The polymers were represented by a freely jointed hard-bead model with one side chain grafted to each bead of the main chain, and we considered variations in side-chain length and bead size. Brush properties, including brush height and surface pressure, were analyzed in the context of a generalized box model. The surface pressure was found to have a steeper dependence on the grafting density than predicted by classical theories of polymer brushes. This discrepancy could be traced to the equation of state of the polymer fluid composing the brush, which was found to be more reminiscent of the concentrated regime than of the semidilute conditions normally expected in polymer brushes. The conformational properties of individual polymer molecules were found to be insensitive to lateral compression; in particular, the side-chain end-to-end distance remained essentially constant. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Langmuir
volume
30
issue
37
pages
11117 - 11121
publisher
The American Chemical Society
external identifiers
  • pmid:25207468
  • wos:000342184600017
  • scopus:84928543876
ISSN
0743-7463
DOI
10.1021/la5029004
language
English
LU publication?
yes
id
e88109fe-4c6e-44ff-bd29-4e386f0e4ee9 (old id 4691944)
date added to LUP
2014-10-07 16:50:29
date last changed
2017-01-01 03:01:04
@article{e88109fe-4c6e-44ff-bd29-4e386f0e4ee9,
  abstract     = {We used isotension-ensemble Monte Carlo simulations to study the properties of brush layers of bottle-brush polymers under lateral compression. The polymers were represented by a freely jointed hard-bead model with one side chain grafted to each bead of the main chain, and we considered variations in side-chain length and bead size. Brush properties, including brush height and surface pressure, were analyzed in the context of a generalized box model. The surface pressure was found to have a steeper dependence on the grafting density than predicted by classical theories of polymer brushes. This discrepancy could be traced to the equation of state of the polymer fluid composing the brush, which was found to be more reminiscent of the concentrated regime than of the semidilute conditions normally expected in polymer brushes. The conformational properties of individual polymer molecules were found to be insensitive to lateral compression; in particular, the side-chain end-to-end distance remained essentially constant.},
  author       = {Wernersson, Erik and Linse, Per},
  issn         = {0743-7463},
  language     = {eng},
  number       = {37},
  pages        = {11117--11121},
  publisher    = {The American Chemical Society},
  series       = {Langmuir},
  title        = {Lateral interactions in brush layers of bottle-brush polymers.},
  url          = {http://dx.doi.org/10.1021/la5029004},
  volume       = {30},
  year         = {2014},
}