高等学校化学学报

高等学校化学学报 ›› 2013, Vol. 34 ›› Issue (1): 242.doi: 10.7503/cjcu20120165

• 高分子化学 • 上一篇    

二元聚合物刷体系相分离的计算机模拟

薛耀红1, 赵义武2, 范静涛1, 韩成1, 蒋振刚1, 杨华民1, 刘鸿3   

  1. 1. 长春理工大学计算机科学技术学院, 长春 130022;
    2. 长春理工大学空间光电技术研究所, 长春 130022;
    3. 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 130021
  • 收稿日期:2012-03-01 发布日期:2012-12-31
  • 通讯作者: 刘鸿,男,博士,讲师,主要从事高分子统计理论及计算机模拟研究.E-mail:hongliu@jlu.edu.cn E-mail:hongliu@jlu.edu.cn
  • 基金资助:

    国家自然科学基金(批准号: 21104025)和中国博士后科学基金(批准号: 20110491295, 2012T50286)资助.

Computer Simulation of Phase Separation in Binary Polymer Brush Systems

XUE Yao-Hong1, ZHAO Yi-Wu2, FAN Jing-Tao1, HAN Cheng1, JIANG Zhen-Gang1, YANG Hua-Min1, LIU Hong3   

  1. 1. School of Computer Science and Technology, Changchun University of Science and Technology, Changchun 130022, China;
    2. Institute of Space Photo-Electronic Technology, Changchun University of Science and Technology, Changchun 130022, China;
    3. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130021, China
  • Received:2012-03-01 Published:2012-12-31

PDF (PC)

被引次数

1

摘要：

利用耗散粒子动力学(DPD)方法研究了二元聚合物刷体系的相分离行为. 发现组分间相容性的差别对膜厚的影响很小, 对纵向相分离结构中相区尺寸的影响则较大. 溶剂质量对控制聚合物刷膜的厚度和密度具有决定作用, 同时对层状膜结构也具有调控作用. 结果表明, 通过控制环境条件, 二元聚合物刷膜材料在快速且可逆地调节表面润湿性方面具有潜在的应用价值.

关键词: 二元聚合物刷, 耗散粒子动力学, 相分离, 相容性

Abstract:

The phase separation in binary polymer brush system was studied by dissipative particle dynamics(DPD) simulation method. The results show that the film thickness is not sensitive to the compatibility between the two polymer brush components, while the compatibility has obvious influence on the domain size during the vertical phase segregation. The role of solvent quality on controlling the film thickness and film density is crucial. Meanwhile, the solvent quality is also important for tuning the layer structure in the phase separation. These results imply that by controlling the environment condition, the material prepared by the binary polymer brush film may be potentially applicable in fast tuning surface wettability reversibly.

Key words: Binary polymer brush, Dissipative particle dynamics, Phase separation, Compatibility

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