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Monte Carlo Simulations of Multigraft Homopolymers in Good Solvent

Angelescu, Daniel G. and Linse, Per LU (2014) In Macromolecules 47(1). p.415-426
Abstract
Multigraft polymers comprise a subclass of branched polymers where more than one side chain is attached to each node (branching point) of the main chain. We have investigated structural properties of single multigraft polymers under good solvent conditions by Monte Carlo simulations, employing a flexible bead-spring model. Beside the grafting density, denoting the linear density of grafted side chains, we have introduced the concept of branching density, denoting the linear density of nodes. At high branching density, both the branching density and the branching multiplicity controlled the structure of the side chains, whereas at lower branching density only the branching multiplicity influenced the side-chain structure. The spatial... (More)
Multigraft polymers comprise a subclass of branched polymers where more than one side chain is attached to each node (branching point) of the main chain. We have investigated structural properties of single multigraft polymers under good solvent conditions by Monte Carlo simulations, employing a flexible bead-spring model. Beside the grafting density, denoting the linear density of grafted side chains, we have introduced the concept of branching density, denoting the linear density of nodes. At high branching density, both the branching density and the branching multiplicity controlled the structure of the side chains, whereas at lower branching density only the branching multiplicity influenced the side-chain structure. The spatial extension of the main chain and side chains as a function of side-chain length and grafting density was analyzed using scaling formalism. The dependence of the main-chain extension on side-chain length, branching density, and branching multiplicity could be collapsed on a universal curve upon relevant rescaling. Multigraft polymers with equal number of side-chain beads but unequal numbers and lengths of side chains displayed unconventional bending properties. Few and long side chains gave rise to a still relative low locally stiffness but considerable long-range rigidity, whereas more numerous and shorter side chains lead to a higher local stiffness but to a smaller long-range rigidity. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Macromolecules
volume
47
issue
1
pages
415 - 426
publisher
The American Chemical Society
external identifiers
  • wos:000330001700047
  • scopus:84892577308
ISSN
0024-9297
DOI
10.1021/ma4021246
language
English
LU publication?
yes
id
914a08c9-9660-4baf-ad7e-9789e51098bf (old id 4318629)
date added to LUP
2014-02-25 11:18:42
date last changed
2017-01-01 03:28:42
@article{914a08c9-9660-4baf-ad7e-9789e51098bf,
  abstract     = {Multigraft polymers comprise a subclass of branched polymers where more than one side chain is attached to each node (branching point) of the main chain. We have investigated structural properties of single multigraft polymers under good solvent conditions by Monte Carlo simulations, employing a flexible bead-spring model. Beside the grafting density, denoting the linear density of grafted side chains, we have introduced the concept of branching density, denoting the linear density of nodes. At high branching density, both the branching density and the branching multiplicity controlled the structure of the side chains, whereas at lower branching density only the branching multiplicity influenced the side-chain structure. The spatial extension of the main chain and side chains as a function of side-chain length and grafting density was analyzed using scaling formalism. The dependence of the main-chain extension on side-chain length, branching density, and branching multiplicity could be collapsed on a universal curve upon relevant rescaling. Multigraft polymers with equal number of side-chain beads but unequal numbers and lengths of side chains displayed unconventional bending properties. Few and long side chains gave rise to a still relative low locally stiffness but considerable long-range rigidity, whereas more numerous and shorter side chains lead to a higher local stiffness but to a smaller long-range rigidity.},
  author       = {Angelescu, Daniel G. and Linse, Per},
  issn         = {0024-9297},
  language     = {eng},
  number       = {1},
  pages        = {415--426},
  publisher    = {The American Chemical Society},
  series       = {Macromolecules},
  title        = {Monte Carlo Simulations of Multigraft Homopolymers in Good Solvent},
  url          = {http://dx.doi.org/10.1021/ma4021246},
  volume       = {47},
  year         = {2014},
}