Liquid-crystalline ordering in ord-coil diblock copolymers studied by mesoscale simulations

A. AlSunaidi, Wouter K. den Otter, J.H.R. Clarke

Research output: Contribution to journalArticleAcademicpeer-review

86 Citations (Scopus)

Abstract

Using mesoscale dissipative particle dynamics (DPD) simulations, which ignore all atomistic details, we show the formation of lamella mesophases by cooling a fully disordered system composed of symmetric (A7B7) rod–coil diblock copolymers. Equilibration is achieved very rapidly using DPD, and isotropic, smectic A and crystalline phases of the rod–like blocks can be observed either by heating or cooling. An interesting pseudo–smectic phase can be characterized when the order–disorder transition temperature is above the clearing temperature. This phase gradually fades into a normal microphase–separated structure as the system is heated through the clearing temperature. Simulations of pure rods, however, show the formation of isotropic, nematic, smectic A and crystalline phases
Original languageEnglish
Pages (from-to)1773-1781
Number of pages9
JournalPhilosophical transactions of the Royal Society A- mathematical physical and engineering sciences
Volume362
Issue number1821
DOIs
Publication statusPublished - 2004

Keywords

  • METIS-218912
  • IR-87006

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