星形两嵌段共聚高分子薄膜微相分离的耗散粒子动力学模拟

上海大学学报(自然科学版) ›› 2010, Vol. 16 ›› Issue (5): 476-481.

星形两嵌段共聚高分子薄膜微相分离的耗散粒子动力学模拟

1.上海大学环境与化学工程学院，上海 200444； 2.滁州学院化学与生命科学系，安徽滁州 239012

收稿日期:2010-06-08 出版日期:2010-10-30 发布日期:2010-10-30
通讯作者: 徐毅(1980～)，男，讲师，博士,研究方向为分子模拟. E-mail:tree2000xy@shu.edu.cn
基金资助:
上海市重点学科建设资助项目(S30109)；上海高校选拔培养优秀青年教师科研专项基金资助项目（SHU07013）；上海大学科学技术发展基金资助项目（A10011107901）；上海大学创新基金资助项目（A10011108008）

Microphase Separation of Star-Diblock Copolymer Films by Dissipative Particle Dynamics Simulation

1. School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, China; 2. Department of Chemistry and Life Science, Chuzhou University, Chuzhou 239012, Anhui, China

Received:2010-06-08 Online:2010-10-30 Published:2010-10-30

摘要/Abstract

摘要：

利用耗散粒子动力学模拟研究两类典型的星形两嵌段共聚高分子薄膜的微相分离行为，观察到一系列有序结构，并获得相应的相图.结果表明：(A_x)₄(B_y)₄体系的相图比(A_xB_y)₄体系具有更明显的对称性，且前者比后者更易发生相分离，这与体相中的情况相近，而同等条件下，后者比前者更易形成岛状结构；组成相同的星形共聚高分子体系在体相与薄膜中所形成的介观结构之间存在对应关系，且一维受限能够使得该体系所形成的微相分离结构更为多样化；较小的薄膜厚度与较强的A-B组分间的排斥作用均有利于增强所形成结构的有序性.

关键词: 星形两嵌段共聚高分子薄膜；微相分离；耗散粒子动力学

Abstract:

Microphaseseparating behaviors of two typical star-diblock copolymer films have been investigated using the dissipative particle dynamics (DPD) technique. A series of ordered structures and corresponding phase diagrams have been obtained. Results show that, compared to (A_xB_y)₄, the phase diagram of (A_x)₄(B_y)₄ is distinctly symmetric. It is easier to carry out phase-separating for the latter than for the former, similar to their behaviors in bulk. Additionally, it is easier for the island phase to appear in (A_xB_y)₄films under the same conditions. Some structures formed in bulk and film at the same composition fraction can correspond to each other to a certain extent, and one-dimension confinement can make these systems form more kinds of microphase-separating structures. Besides, both thinner film and stronger A-B repulsion can contribute to enhance the order of relevant structures.

Key words: star-diblock copolymer film; microphase separation; dissipative particle dynamics

中图分类号:

O 242.1

徐毅1 冯剑2. 星形两嵌段共聚高分子薄膜微相分离的耗散粒子动力学模拟[J]. 上海大学学报(自然科学版), 2010, 16(5): 476-481.

XU Yi-1, FENG Jian-2. Microphase Separation of Star-Diblock Copolymer Films by Dissipative Particle Dynamics Simulation[J]. Journal of Shanghai University（Natural Science Edition）, 2010, 16(5): 476-481.