Acta Phys. -Chim. Sin. ›› 2005, Vol. 21 ›› Issue (08): 878-882.doi: 10.3866/PKU.WHXB20050811

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Simulation on Self-assembly of α,ω Branched Copolymer

SUN Zhe; SONG Hai-hua   

  1. School of Chemical Engineering, Tianjin University, Tianjin 300072
  • Received:2004-12-13 Revised:2005-02-24 Published:2005-08-15
  • Contact: SONG Hai-hua

Abstract: A self-consistent field theory for α,ω branched copolymers is developed, which can be extended to copolymers with any topological architecture. By solving the self-consistent field equation set numerically, ordered morphologies of α,ω branched copolymers with H shaped, π shaped and heteroarm architectures are simulated. Lamellae and hexagonal lattice phases obtained for H shaped and π shaped respectively are consistent with the experiments. Furthermore, self-assembly of heteroarm-α,ωbranched copolymers((AB)C(AB)) are investigated, and six stable microphases are uncovered. It is found that microphase morphologies are determined by the composition of three species. And variation of volume fractions for side chains will not change the ordered structure if composition is fixed. Also, simulation reveals that the junction points lie on the microphase interfaces.

Key words: Self-consistent field theory, Branched copolymer, Self-assembly, Morphology