高等学校化学学报

高等学校化学学报 ›› 2011, Vol. 32 ›› Issue (10): 2421.

• 研究论文 • 上一篇    下一篇

嵌段共聚物组成对薄膜形貌影响的多体耗散粒子动力学研究

李延春, 刘鸿, 黄旭日, 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:2010-12-30 修回日期:2011-01-20 出版日期:2011-10-10 发布日期:2011-09-11
  • 通讯作者: 黄旭日 E-mail:huangxr@mail.jlu.edu.cn
  • 基金资助:

    国家自然科学基金(批准号: 21073075)资助.

Multibody Dissipative Particle Dynamics Study of the Composition Effect on the Morphology of Block Copolymer Thin Film

LI Yan-Chun, LIU Hong, HUANG Xu-Ri*, SUN Chia-Chung   

  1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China
  • Received:2010-12-30 Revised:2011-01-20 Online:2011-10-10 Published:2011-09-11
  • Contact: HUANG Xu-Ri E-mail:huangxr@mail.jlu.edu.cn
  • Supported by:

    国家自然科学基金(批准号: 21073075)资助.

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被引次数

6

摘要： 利用多体耗散粒子动力学(Multibody Dissipative Particle Dynamics, Multibody DPD)方法研究了在溶剂蒸发条件下, 嵌段共聚物在表面自组装形成薄膜的过程, 分别考虑了两嵌段共聚物和三嵌段共聚物及不同组成对薄膜形貌的影响. 模拟得到了无序状薄膜和层状薄膜, 并计算了这些薄膜的序参量和薄膜厚度随时间的演化. 结果表明, 嵌段共聚物的组成对薄膜厚度几乎没有影响, 当某种组分的链段很短时, 只能形成序参量较小的无序薄膜, 相反, 则可以得到序参量较大的层状薄膜.

关键词: 表面, 多体耗散粒子动力学, 嵌段共聚物, 薄膜

Abstract: We use multibody dissipative particle dynamics method to investigate the thin film formed by self-assembly of block copolymer on attractive surface under evaporation condition. We consider the composition effect on the morphology of diblock and triblock copolymer thin film. We obtain disorder and lamellar morpho-logy and give the time evolution of the order parameter and the film thickness. The results reveal that the composition of block copolymer effects on the order parameter rather than the film thickness. If one of the compositions is shorter, it is easily to form disorder morphology with lower order parameter. On the other hand, it is easily to form lamellar morphology with higher order parameter.

Key words: Surface, Multibody dissipative particle dynamics, Block copolymer, Thin film

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