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Dynamic study of single-chain adsorption and desorption

Källrot, Niklas LU and Linse, Per LU (2007) In Macromolecules 40(13). p.4669-4679
Abstract
The dynamics of adsorption and desorption of uncharged homopolymers have been investigated using a coarse-grained model comprised of a bead-spring chain and a planar surface. Brownian dynamics simulation has been used to examine the adsorption process for polymers released near the surface and with bulk properties as well as Monte Carlo simulations to explore equilibrium adsorption structures of the polymer. Systems with varying polymer contour length, polymer stiffness, and polymer-surface interaction potential have been considered. Investigations have been made on polymer extensions perpendicular and parallel to the surface and also characterized the adsorbed state in terms of loops, tails, and trains. After a diffusion of the polymer to... (More)
The dynamics of adsorption and desorption of uncharged homopolymers have been investigated using a coarse-grained model comprised of a bead-spring chain and a planar surface. Brownian dynamics simulation has been used to examine the adsorption process for polymers released near the surface and with bulk properties as well as Monte Carlo simulations to explore equilibrium adsorption structures of the polymer. Systems with varying polymer contour length, polymer stiffness, and polymer-surface interaction potential have been considered. Investigations have been made on polymer extensions perpendicular and parallel to the surface and also characterized the adsorbed state in terms of loops, tails, and trains. After a diffusion of the polymer to the vicinity of the surface, three succeeding phases were identified: distortion, attachment, and relaxation phase. In the distortion phase, the polymer starts to experience the potential of the surface and becomes elongated perpendicular to the surface. In the attachment phase, the polymer makes direct contact with the surface and becomes contracted perpendicular to the surface and starts to spread on the surface. Finally, in the extended relaxation phase, the polymer continues to spread on the surface. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Macromolecules
volume
40
issue
13
pages
4669 - 4679
publisher
The American Chemical Society
external identifiers
  • wos:000247340700041
  • scopus:34547173571
ISSN
0024-9297
DOI
10.1021/ma0702602
language
English
LU publication?
yes
id
4c1e7528-a71f-4935-9e39-9095bde4bb2d (old id 648333)
date added to LUP
2007-12-13 15:03:45
date last changed
2017-07-30 03:40:38
@article{4c1e7528-a71f-4935-9e39-9095bde4bb2d,
  abstract     = {The dynamics of adsorption and desorption of uncharged homopolymers have been investigated using a coarse-grained model comprised of a bead-spring chain and a planar surface. Brownian dynamics simulation has been used to examine the adsorption process for polymers released near the surface and with bulk properties as well as Monte Carlo simulations to explore equilibrium adsorption structures of the polymer. Systems with varying polymer contour length, polymer stiffness, and polymer-surface interaction potential have been considered. Investigations have been made on polymer extensions perpendicular and parallel to the surface and also characterized the adsorbed state in terms of loops, tails, and trains. After a diffusion of the polymer to the vicinity of the surface, three succeeding phases were identified: distortion, attachment, and relaxation phase. In the distortion phase, the polymer starts to experience the potential of the surface and becomes elongated perpendicular to the surface. In the attachment phase, the polymer makes direct contact with the surface and becomes contracted perpendicular to the surface and starts to spread on the surface. Finally, in the extended relaxation phase, the polymer continues to spread on the surface.},
  author       = {Källrot, Niklas and Linse, Per},
  issn         = {0024-9297},
  language     = {eng},
  number       = {13},
  pages        = {4669--4679},
  publisher    = {The American Chemical Society},
  series       = {Macromolecules},
  title        = {Dynamic study of single-chain adsorption and desorption},
  url          = {http://dx.doi.org/10.1021/ma0702602},
  volume       = {40},
  year         = {2007},
}