Mesoscale simulation on patterned nanotube model for amphiphilic block copolymer

Shou Hong Yang, Yuen Kit CHENG, Shi Ling Yuan*

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

3 Citations (Scopus)

Abstract

Self-assembly of AB diblock copolymer confined in concentric-cylindrical nanopores was studied using MesoDyn simulation. Our calculation shows that in this confined geometry a zoo of exotic structures can be formed. These structures include bicontinuous phases like carbon nanotube, imperfect single helixes and double helixes. Moreover, the dependence of the chain conformation on the volume fraction, concentration, the interactions between blocks and the diameter of the cylindrical pore are investigated. The results of these simulations can be used to predict the diblock copolymer morphologies confined in concentric-cylindrical nanopores and should be helpful in designing polymeric nanomaterials in the future.

Original languageEnglish
Pages (from-to)1819-1824
Number of pages6
JournalJournal of Molecular Modeling
Volume16
Issue number12
DOIs
Publication statusPublished - 2010

Scopus Subject Areas

  • Catalysis
  • Computer Science Applications
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Computational Theory and Mathematics
  • Inorganic Chemistry

User-Defined Keywords

  • Block copolymer
  • Mesoscale simulation
  • Patterned model

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