物理化学学报 >> 2005, Vol. 21 >> Issue (08): 878-882.doi: 10.3866/PKU.WHXB20050811

研究论文 上一篇    下一篇

α,ω支化共聚物的自组织形态模拟

孙吉吉; 宋海华   

  1. 天津大学化工学院, 天津 300072
  • 收稿日期:2004-12-13 修回日期:2005-02-24 发布日期:2005-08-15
  • 通讯作者: 宋海华 E-mail:haihuasong@eyou.com

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 E-mail:haihuasong@eyou.com

摘要: 建立了适用于α,ω支化共聚物的自洽场理论. 通过数值求解自洽场方程, 模拟了H型、π型α,ω支化共聚物的自组织形态, 模拟结果与实验相一致. 研究了杂臂型α,ω支化共聚物的各种自组织形态及相分离程度与支链体积分率的关系, 讨论了支化点在微相间的密度分布.

关键词: 自洽场理论, 支化共聚物, 自组织, 形态学

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