Advanced

Effect of solvent quality on the polymer adsorption from bulk solution onto planar surfaces

Linse, Per LU (2012) In Soft Matter 8(19). p.5140-5150
Abstract
Adsorption of uncharged homopolymers in good and theta solvents onto planar surfaces at various chain flexibility and polymer-surface attraction strengths was investigated by using a coarse-grained bead-spring polymer model and simulation techniques. Equilibrium properties of the interfacial systems were obtained from Monte Carlo simulations by monitoring the bead and polymer density profiles, the number of adsorbed beads and polymers, the components of the radius of gyration perpendicular and parallel to the surface as well as tail, loop, and train characteristics. The adsorption process starting with a polymer-free zone adjacent to the surface was examined by Brownian dynamic simulations. At equilibrium, the adsorbed amount increased... (More)
Adsorption of uncharged homopolymers in good and theta solvents onto planar surfaces at various chain flexibility and polymer-surface attraction strengths was investigated by using a coarse-grained bead-spring polymer model and simulation techniques. Equilibrium properties of the interfacial systems were obtained from Monte Carlo simulations by monitoring the bead and polymer density profiles, the number of adsorbed beads and polymers, the components of the radius of gyration perpendicular and parallel to the surface as well as tail, loop, and train characteristics. The adsorption process starting with a polymer-free zone adjacent to the surface was examined by Brownian dynamic simulations. At equilibrium, the adsorbed amount increased upon increasing chain stiffness and in poorer solvent conditions, and the structural characteristics depended also on the chain stiffness and solvent condition. The initial adsorption was diffusion controlled, but soon it became governed by the probability of a polymer to be captured by the surface attraction. Flexible polymers became flattened after attaching, but their final relaxation mechanism involved an increase in perpendicular extension. There were fewer adsorbed beads and longer tails, which was driven by the surface pressure originating from the surrounding adsorbed polymers. This structural rearrangement became more prominent in poorer solvent conditions. Finally, the integration time, which denotes the adsorption time for adsorbed polymers to become fully integrated into the adsorbed layer, and the residence times of integrated polymers were analyzed. In particular, the latter became longer with increasing chain stiffness and shorter in poorer solvent conditions. (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
Soft Matter
volume
8
issue
19
pages
5140 - 5150
publisher
Royal Society of Chemistry
external identifiers
  • wos:000303208700006
  • scopus:84860361223
ISSN
1744-6848
DOI
10.1039/c2sm25074h
language
English
LU publication?
yes
id
50590d30-9055-45c0-8d18-56653745ce25 (old id 2570803)
date added to LUP
2012-06-01 13:56:09
date last changed
2017-07-09 04:05:07
@article{50590d30-9055-45c0-8d18-56653745ce25,
  abstract     = {Adsorption of uncharged homopolymers in good and theta solvents onto planar surfaces at various chain flexibility and polymer-surface attraction strengths was investigated by using a coarse-grained bead-spring polymer model and simulation techniques. Equilibrium properties of the interfacial systems were obtained from Monte Carlo simulations by monitoring the bead and polymer density profiles, the number of adsorbed beads and polymers, the components of the radius of gyration perpendicular and parallel to the surface as well as tail, loop, and train characteristics. The adsorption process starting with a polymer-free zone adjacent to the surface was examined by Brownian dynamic simulations. At equilibrium, the adsorbed amount increased upon increasing chain stiffness and in poorer solvent conditions, and the structural characteristics depended also on the chain stiffness and solvent condition. The initial adsorption was diffusion controlled, but soon it became governed by the probability of a polymer to be captured by the surface attraction. Flexible polymers became flattened after attaching, but their final relaxation mechanism involved an increase in perpendicular extension. There were fewer adsorbed beads and longer tails, which was driven by the surface pressure originating from the surrounding adsorbed polymers. This structural rearrangement became more prominent in poorer solvent conditions. Finally, the integration time, which denotes the adsorption time for adsorbed polymers to become fully integrated into the adsorbed layer, and the residence times of integrated polymers were analyzed. In particular, the latter became longer with increasing chain stiffness and shorter in poorer solvent conditions.},
  author       = {Linse, Per},
  issn         = {1744-6848},
  language     = {eng},
  number       = {19},
  pages        = {5140--5150},
  publisher    = {Royal Society of Chemistry},
  series       = {Soft Matter},
  title        = {Effect of solvent quality on the polymer adsorption from bulk solution onto planar surfaces},
  url          = {http://dx.doi.org/10.1039/c2sm25074h},
  volume       = {8},
  year         = {2012},
}