高等学校化学学报

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聚合物链长及表面吸附强度对三维受限下嵌段共聚物微观相分离的影响

陈梨俊, 张志杰, 吕中元, 孙家锺   

  1. 吉林大学理论化学研究所, 理论化学计算国家重点实验室, 长春 130023
  • 收稿日期:2006-03-27 修回日期:1900-01-01 出版日期:2007-02-10 发布日期:2007-02-10
  • 通讯作者: 吕中元

Effects of Block Copolymer Chain Length and Surface Adsorption Intensity on Microphase Separation Under Three-dimensional Confinement

CHEN Li-Jun, ZHANG Zhi-Jie, L

  1. State Key Laboratory of Theoretical and Computational Chemistry,Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China
  • Received:2006-03-27 Revised:1900-01-01 Online:2007-02-10 Published:2007-02-10
  • Contact: LÜ Zhong-Yuan

摘要: 利用动态密度泛函(Dynamic density functional theory, DDFT)方法研究了三维受限下嵌段共聚物的微观相分离, 讨论了共聚物链长和表面吸附强度对微观相形成与取向的影响. 体系中随机分布的等径微球提供三维限制结构, 体积分数为0.6. 增加微球的半径和体积分数, 能够使其从破坏微相规整结构的纳米掺杂过渡到提供三维限制结构. 调整嵌段共聚物与微球表面的相互作用对微相形成与取向有重要影响.

关键词: 微观相分离, 三维受限, 动态密度泛函方法

Abstract: The microphase separation of symmetric diblock copolymer under three-dimensional confinement was studied with dynamic density functional theory(DDFT). The confinement structure is randomly distributed microspheres in space with maximum volume fraction of 0.6. The effects by varying the block copolymer chain length and the microsphere size on the microphase morphologies were discussed. Moreover, the preferentially attractive interaction between block A and the microsphere surface was considered, which takes great effects on the microphase orientation under the confinement.

Key words: Microphase separation, Three-dimensional confinement, Dynamic density functional theory

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