doi:10.1007/s10118-021-2523-1

Citation: 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 shu

Conformational and Dynamical Evolution of Block Copolymers in Shear Flow

Xiang-Xin Kong ^a,b,e ,
Wen-Duo Chen ^c,, ,
Feng-Chao Cui ^d,, ,
Yun-Qi Li ^a,b

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

Corresponding author: Wen-Duo Chen, E-mail: chenwd29@mail.sysu.edu.cn
Feng-Chao Cui, E-mail: cuifc705@nenu.edu.cn
Received Date: 2020-09-15
Available Online: 2020-11-20

Figures(10)

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.
- Block copolymer,
- Shear flow,
- Multiparticle collision dynamics,
- Molecular dynamics simulations,
- Conformation
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