Conformational and Dynamical Evolution of Block Copolymers in Shear Flow

Xiang-Xin Kong; Wen-Duo Chen; Feng-Chao Cui; Yun-Qi Li

doi:10.1007/s10118-021-2523-1

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Conformational and Dynamical Evolution of Block Copolymers in Shear Flow

ARTICLE | Updated：2020-11-20

- Conformational and Dynamical Evolution of Block Copolymers in Shear Flow
- Conformational and Dynamical Evolution of Block Copolymers in Shear Flow
- Chinese Journal of Polymer Science 2021年39卷第5期页码：640-650
- Affiliations：
  
  a.Key Laboratory of High-Performance Synthetic Rubber and Its Composite Materials, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
  b.University of Science and Technology of China, Hefei 230026, China
  c.School of Materials, Sun Yat-sen University, Guangzhou 510275, China
  d.Key Laboratory of Polyoxometalate Science of the Ministry of Education and Faculty of Chemistry, Northeast Normal University, Changchun 130024, China
  e.School of Information Engineering, Jilin Engineering Normal University, Changchun 130052, China
- Author bio：
  
  chenwd29@mail.sysu.edu.cn (W.D.C.)
  cuifc705@nenu.edu.cn (F.C.C.)
- Funds：
  
  This work was financially supported by the National Natural Science Foundation of China (Nos. 21774128 and U1832177), Key Research Program of Frontier Sciences (No. QYZDY-SSW-SLH027) and NSFC Resource and Ecology Based Synthetic Polymeric Materials (No. 51988102). We are also grateful to the Network and Computing Center, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences for essential support.
- DOI：10.1007/s10118-021-2523-1
  中图分类号：
- 收稿：2020-09-15，
  
  修回：2020-10-12，
  
  录用：2020-10-23，
  
  网络首发：2020-11-20，
  
  纸质出版：2021-01-01
- Accepted：
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Kong, X. X.; Chen, W. D.; Cui, F. C.; Li, Y. Q. Conformational and dynamical evolution of block copolymers in shear flow. Chinese J. Polym. Sci. 2021, 39, 640–650

Xiang-Xin Kong, Wen-Duo Chen, Feng-Chao Cui, et al. Conformational and Dynamical Evolution of Block Copolymers in Shear Flow[J]. Chinese Journal of Polymer Science, 2021, 39(5): 640-650.
Kong, X. X.; Chen, W. D.; Cui, F. C.; Li, Y. Q. Conformational and dynamical evolution of block copolymers in shear flow. Chinese J. Polym. Sci. 2021, 39, 640–650 DOI： 10.1007/s10118-021-2523-1.

Xiang-Xin Kong, Wen-Duo Chen, Feng-Chao Cui, et al. Conformational and Dynamical Evolution of Block Copolymers in Shear Flow[J]. Chinese Journal of Polymer Science, 2021, 39(5): 640-650. DOI： 10.1007/s10118-021-2523-1.

摘要

Abstract

Conformation and dynamical evolution of block copolymers in shear flow is an important topic in polymer physics that underscores the forming process of various materials. We explored deformation and dynamics of copolymers composed of rigid or flexible blocks in simple shear flow by employing multiparticle collision dynamics integrated with molecular dynamics simulations. We found that compared with the proportion between rigid and flexible blocks

the type of the central blocks plays more important role in the conformational and dynamical evolution of copolymers. That is

if the central block is a coil

the copolymer chain takes end-over-end tumbling motion

while if the central block is a rod

the copolymer chain undergoes U-shape or S-shape deformation at mid shear rate. As the shear strength increases

all copolymers behave similar to flexible polymers at high shear rate. This can be attributed to the fact that shear flow is strong enough to overcome the buckling force of the rigid blocks. These results provide a deeper understanding of the roles played by rod and coil blocks in copolymers for phase interface during forming processing.

关键词

Keywords

references

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