Conformational and Dynamical Evolution of Block Copolymers in Shear Flow
- PDF / 2,790,321 Bytes
- 11 Pages / 595.35 x 842 pts (A4) Page_size
- 72 Downloads / 248 Views
ARTICLE
POLYMER SCIENCE
https://doi.org/10.1007/s10118-021-2523-1 Chinese J. Polym. Sci.
Conformational and Dynamical Evolution of Block Copolymers in Shear Flow Xiang-Xin Konga,b,e, Wen-Duo Chenc*, Feng-Chao Cuid*, and Yun-Qi Lia,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
Electronic Supplementary Information 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. Keywords Block copolymer; Shear flow; Multiparticle collision dynamics; Molecular dynamics simulations; Conformation 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. https://doi.org/10.1007/s10118-021-2523-1
INTRODUCTION Copolymers comprised of rigid and flexible blocks have been valuable ingredients in biomaterials,[1,2] organic electronic[3,4] and structure materials[5−8] owing to the fact that they can maintain special nanostructures to improve interfacial compatibility or to bear deformation resistance. Besides, block copolymers can also regulate the micro phase separation in shear flow, which is crucial in the polymer process.[9−11] Intensive studies have been made focusing on the impacts of copolymers on creep behaviors,[12,13] processing kinetics and forming,[14−17] and micro-fluidic separation.[18−22] To decipher the roles of rigid or flexible block in the copolymers, their conformational and dynamical behaviors have be
Data Loading...
