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Density profile and polymer configurations for a polymer melt in a regular array of nanotubes

Peixoto, Tiago P. ; Drossel, Barbara (2024)
Density profile and polymer configurations for a polymer melt in a regular array of nanotubes.
In: New Journal of Physics, 2011, 13 (7)
doi: 10.26083/tuprints-00020565
Article, Secondary publication, Publisher's Version

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Item Type: Article
Type of entry: Secondary publication
Title: Density profile and polymer configurations for a polymer melt in a regular array of nanotubes
Language: English
Date: 5 March 2024
Place of Publication: Darmstadt
Year of primary publication: 2011
Place of primary publication: London
Publisher: IOP Publishing
Journal or Publication Title: New Journal of Physics
Volume of the journal: 13
Issue Number: 7
Collation: 16 Seiten
DOI: 10.26083/tuprints-00020565
Corresponding Links:
Origin: Secondary publication DeepGreen
Abstract:

By using two generic polymer models, namely self-consistent field theory and bond-fluctuation Monte-Carlo simulations, we investigate numerically the properties of a polymer melt in a hexagonal array of nanotubes as a function of the polymer length, the interaction with the nanotubes and the compressibility or average density. The combined effect of the attractive interaction with the nanotube walls, the entropy decrease due to the impenetrability of the walls and the hexagonal arrangement of the nanotubes with varying gap size in between them leads to a wide array of possible density profiles and polymer configurations as a function of the model parameters. Even in the case of the Monte-Carlo simulations, where the contact interaction affects only the first layer of monomers, the effect of the wall can nevertheless be felt throughout the entire melt at intermediate temperatures.

Identification Number: Artikel-ID: 073030
Status: Publisher's Version
URN: urn:nbn:de:tuda-tuprints-205656
Classification DDC: 500 Science and mathematics > 530 Physics
Divisions: 05 Department of Physics > Institute for Condensed Matter Physics
Date Deposited: 05 Mar 2024 10:08
Last Modified: 27 May 2024 08:12
SWORD Depositor: Deep Green
URI: https://tuprints.ulb.tu-darmstadt.de/id/eprint/20565
PPN: 518573680
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