高等学校化学学报

高等学校化学学报

• 研究论文 • 上一篇    下一篇

梳型嵌段共聚物微观相分离的耗散粒子动力学模拟

刘英涛, 李占伟, 吕中元, 李泽生   

  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:2007-11-09 修回日期:1900-01-01 出版日期:2008-06-10 发布日期:2008-06-10
  • 通讯作者: 吕中元

Comb-like Block Copolymer Microphase Separation Studied by Dissipative Particle Dynamics Simulations

LIU Ying-Tao, LI Zhan-Wei, LÜ Zhong-Yuan*, LI Ze-Sheng   

  1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China
  • Received:2007-11-09 Revised:1900-01-01 Online:2008-06-10 Published:2008-06-10
  • Contact: LÜ Zhong-Yuan

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被引次数

21

摘要： 利用耗散粒子动力学(Dissipative particle dynamics, DPD)模拟方法研究了二维梳型嵌段共聚物的微观相分离, 得到了相形貌与侧链长度及链段间相互作用的依赖关系, 进一步与线型和星型嵌段共聚物微观相分离进行了对比. 模拟结果揭示了本体中影响梳形嵌段共聚物微观相分离的主要因素, 包括嵌段共聚物的组成\, 拓扑结构以及不同粒子间的排斥力.

关键词: 微观相分离, 耗散粒子动力学模拟, 梳形嵌段共聚物

Abstract: Dissipative particle dynamics simulations are carried out to study the microphase separation of comb-like block copolymer in two dimensions. By systematically varying the side chain lengths and the repulsion strength between the two components, we find various morphologies. For comparison, the linear and star-like block copolymers are also studied in the simulations. The results reveal the main factors that affect the microphase separation of comb-like block copolymers in melts.

Key words: Microphase separation, Dissipative particle dynamics simulations, Comb-like block copolymer

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