高等学校化学学报 ›› 2019, Vol. 40 ›› Issue (5): 1037-1042.doi: 10.7503/cjcu20190062

• 高分子化学 • 上一篇    下一篇

软三嵌段两面神胶体粒子自组装行为的模拟研究

王艳辉1,2, 邹庆智2,3, 朱有亮2,3(), 付翠柳2,3, 黄以能1,4(), 李占伟2,3, 孙昭艳1,2,3   

  1. 1. 伊犁师范大学物理科学与技术学院, 新疆凝聚态相变与微结构实验室, 伊宁 835000
    2. 中国科学院长春应用化学研究所, 高分子物理与化学国家重点实验室, 长春 130022
    3. 中国科学技术大学应用化学与工程学院, 合肥 230026
    4. 南京大学物理学院, 固体微结构物理国家重点实验室, 南京 210093
  • 收稿日期:2019-01-21 出版日期:2019-04-08 发布日期:2019-04-08
  • 作者简介:

    联系人简介: 朱有亮, 男, 博士, 副研究员, 主要从事软物质体系的多尺度模拟方面的研究. E-mail: youliangzhu@ciac.ac.cn; 黄以能, 男, 博士, 教授, 主要从事相变与微结构动力学方面的研究. E-mail: ynhuang@nju.edu.cn

  • 基金资助:
    国家重点研发计划项目(批准号: 2018YFB0703701)、 国家自然科学基金(批准号: 21674116, 21790344, 21774129, 21833008)、 中国科学院前沿科学重点研究项目(批准号: QYZDY-SSW-SLH027)和吉林省科技发展计划项目(批准号: 20190101021JH)资助.

Simulation Study on the Self-assembly of Softtriblock Janus Particles

WANG Yanhui1,2, ZOU Qingzhi2,3, ZHU Youliang2,3,*(), FU Cuiliu2,3, HUANG Yineng1,4,*(), LI Zhanwei2,3, SUN Zhaoyan1,2,3   

  1. 1. Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics, University of Physical Science and Technology, Yining 835000, China
    2. State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
    3. University of Science and Technology of China, School of Applied Chemistry and Engineering, Hefei 230026, China
    4. School of Physics, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China
  • Received:2019-01-21 Online:2019-04-08 Published:2019-04-08
  • Contact: ZHU Youliang,HUANG Yineng E-mail:youliangzhu@ciac.ac.cn;ynhuang@nju.edu.cn
  • Supported by:
    † Supported by the National Key R&D Program of China(No.2018YFB0703701), the National Natural Science Foundation of China(Nos.21674116, 21790344, 21774129, 21833008), the Key Research Program of Frontier Sciences of Chinese Academy of Science, China(No.QYZDY-SSW-SLH027) and the Jilin Provincial Science and Technology Development Program, China(No.20190101021JH)

摘要:

采用软补丁粒子模型及相应的介观动力学模拟方法, 研究了软三嵌段两面神胶体粒子在稀溶液条件下的自组装行为. 通过合理调节补丁大小和补丁之间的吸引强度, 软三嵌段两面神胶体粒子能够自组装形成非常丰富的聚集结构, 包括线状结构、 六方柱状结构、 体心四方束状结构以及三维网络状结构. 此外, 分析了与纤维结构类似的体心四方束状结构形成的动力学机理. 模拟结果为实验上设计并制备新颖的超胶体纳米结构提供一定的理论支持.

关键词: 软三嵌段两面神胶体粒子, 自组装行为, 介观动力学模拟

Abstract:

The self-assembly of soft triblock Janus particles in dilute solutions were simulated by the soft patchy particle model and coarse-grained molecular dynamics. By properly tuning the patch size and the attraction strength between the patches, we obtained various ordered self-assembly structures, including string-like structures, hexagonal columnar structures, fibre-like body-centered tetragonal structures, and three-dimensional networks. Furthermore, the formation process of the fibre-like body-centered tetragonal structures was analyzed in detail. These soft triblock Janus particles in our model are well within the reach of today’s experimental capabilities. Therefore, our results provide conceptual and practical guidance towards the experimental realization of novel nanostructures.

Key words: Soft triblock Janus particle, Self-assembly, Mesoscale dynamics simulation

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