表面图案诱导两嵌段共聚物形成穿孔层状结构的模拟

doi:10.7503/cjcu20180263

高等学校化学学报 ›› 2018, Vol. 39 ›› Issue (12): 2805.doi: 10.7503/cjcu20180263

表面图案诱导两嵌段共聚物形成穿孔层状结构的模拟

容婧婧^1,², 马兰^1,², 朱有亮²(), 黄以能^1,³, 孙昭艳^1,²

1. 伊犁师范学院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. 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:2018-04-04 出版日期:2018-09-22 发布日期:2018-09-22
作者简介:
联系人简介: 朱有亮, 男, 博士, 副研究员, 主要从事高分子统计理论及计算机模拟研究. E-mail: youliangzhu@ciac.ac.cn
基金资助:
国家自然科学基金(批准号: 21774129, 21790340, 21474111, 11664042)和伊犁师范学院研究生课题(批准号: 2016YSY026)资助.

Simulation of Perforated Lamelar Structures of Diblock Copolymer Induced by Surface Patterns^†

RONG Jingjing^1,², MA Lan^1,², ZHU Youliang^2,^*(), HUANG Yineng^1,³, SUN Zhaoyan^1,²

1. Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics,College of Physical Science and Technology, Yili Normal University, 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. School of Physics, National Laboratory of Solid State Microstructures,Nanjing University, Nanjing 210093, China

Received:2018-04-04 Online:2018-09-22 Published:2018-09-22
Contact: ZHU Youliang E-mail:youliangzhu@ciac.ac.cn
Supported by:
† Supported by the National Natural Science Foundation of China(Nos.21774129, 21790340, 21474111, 11664042) and the Yili Normal University Graduate Program, China(No.2016YSY026).

摘要/Abstract

摘要：

利用耗散粒子动力学方法研究了两嵌段共聚物在表面圆形图案诱导下的相行为. 通过调节圆形诱导图案的半径和嵌段共聚物薄膜的厚度, 体系出现了非常丰富的穿孔层状相结构(PLS). 经过区分将这些结构分为4类, 并用PLS-Ⅰ, PLS-Ⅱ, PLS-Ⅲ, PLS-Ⅳ表示. 绘制了这些结构与圆形图案半径和薄膜厚度关系的相图, 并分析了这些结构出现的原因和规律, 为设计和发展嵌段共聚物功能薄膜材料提供理论支持.

关键词: 耗散粒子动力学方法, 两嵌段共聚物, 表面图案诱导, 穿孔层状结构

Abstract:

Dissipative particle dynamics simulations were employed to study the phase behavior of diblock copolymer on the surface of substrate with the induction of circular patterns. Four types of perforated lamelar structures(PLS) were found by adjusting the radius of circular pattern and the thickness of film, which are named as PLS-Ⅰ, PLS-Ⅱ, PLS-Ⅲ and PLS-Ⅳ according to phase connectivity. The phase diagram was obtained by systematically changing circular radius and the thickness of film. Moreover, the mechanism of forming these structures was proposed. The result could provide theoretical supports for the design and development of diblock copolymer functional film materials.

Key words: Dissipative particle dynamics, Diblock copolymer, Surface pattern induction, Perforated lamellar structure

中图分类号:

O631

TrendMD:

容婧婧, 马兰, 朱有亮, 黄以能, 孙昭艳. 表面图案诱导两嵌段共聚物形成穿孔层状结构的模拟. 高等学校化学学报, 2018, 39(12): 2805.

RONG Jingjing,MA Lan,ZHU Youliang,HUANG Yineng,SUN Zhaoyan. Simulation of Perforated Lamelar Structures of Diblock Copolymer Induced by Surface Patterns^†. Chem. J. Chinese Universities, 2018, 39(12): 2805.

图/表 6

Fig.1 Schematic model of pattern surface and diblock copolymer A10B10

Table 1 Interaction parameters(α) of DPD

Particle	A	B	C	D
A	25	40	25	100
B		25	100	25
C			0	0
D				0

Fig.2 Snapshots of self-assembled structuresA structure is shown in different perspectives in a column and labeled in the top.

Fig.3 Phase diagram of perforated lamellar structures of the diblock copolymer film

Fig.4 Structure factor(A) and radial distribution function(B) for different circular radius

Fig.5 Structure factor(A) and radial distribution function(B) for different thickness of film

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表面图案诱导两嵌段共聚物形成穿孔层状结构的模拟

Simulation of Perforated Lamelar Structures of Diblock Copolymer Induced by Surface Patterns^†

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表面图案诱导两嵌段共聚物形成穿孔层状结构的模拟

Simulation of Perforated Lamelar Structures of Diblock Copolymer Induced by Surface Patterns†

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Simulation of Perforated Lamelar Structures of Diblock Copolymer Induced by Surface Patterns^†