Dissipative particle dynamics simulation of the relaxation behaviour of a triblock copolymer supramolecular network

Kohei Wakimoto, Hiroshi Sasaki, Noriyoshi Arai

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Since block copolymers self-assemble into various nanostructures and these are widely used in soft materials such as cosmetics and paints, these continue to be the subjects of fundamental studies that progress new technologies. ABA triblock copolymers self-organise into supramolecular networks in which crosslinked structures change upon heating and other external stimulation. Supramolecular networks that consist of ABA triblock copolymers have three components: bridges, loops and dangles. These supramolecular networks have structural regions (clusters) in which end blocks of polymer chains are aggregated and connected by the internal blocks of the polymer chains. Despite of the importance of relaxation behaviour during the measurement and control of polymer materials, the molecular-level behaviour of these systems has not been addressed. We observed pull-out phenomenon that the ends of these polymers detach from clusters, and estimated characteristic detachment times by counting the number of detachments and compared it with the time of longest relaxation in that system.

Original languageEnglish
Pages (from-to)534-539
Number of pages6
JournalMolecular Simulation
Volume44
Issue number7
DOIs
Publication statusPublished - 2018 May 3
Externally publishedYes

Keywords

  • dissipative particle dynamics method
  • relaxation behaviour
  • Supra-molecular network
  • triblock copolymer

ASJC Scopus subject areas

  • Chemistry(all)
  • Information Systems
  • Modelling and Simulation
  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics

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