Self-assembly Study of Complex Topological Structure Constructing from Telechelic Polymer Systems

Hui Li1,2,Email

Zhenyu Wang1

Yuanyuan Wei1

Ning Wang1

Kaiming Gao1

Xunhua Liao1

Haitao Zhao1

Long Zhang1,2

Zhenbin Chen1,2

Qiaoli Lin1,2

Dongdong Hu3,Email

Juan M Ruso4

Zhen Liu5,Email

1School of Material Science and Engineering, Lanzhou University of Technology, Lanzhou, 730050, Gansu, People’s Republic of China
2State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metal, Lanzhou University of Technology, No. 287 Langongping Road, Lanzhou, 730050, Gansu, People’s Republic of China 
3State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, China
4Soft Matter and Molecular Biophysics Group, Department of Applied Physics, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain
5Department of Physics and Engineering, Frostburg State University, Frostburg, MD, 21532, USA

Abstract

This study investigated the self-assembly behavior of active telechelic polymers with complex topological structure by dissipative particle dynamics method. Complex topologies include structures with end groups, such as"line", "star" and "tadpole", and structures without end groups, such as"ring", "flower" and "cage". The self-assembly structure distributions of polymers with complex topological structure in different solvent conditions were analyzed. These complex topologies are formed through cross-linking reactions between end groups of active telechelic polymers. The simulation results shown that the topological polymers could self-assemble to form a micellar structure such as hollow vesicles, spherical, lamellar, and tubular micelles in dilute solutions. Topological polymers without end groups were more likely to form dense spherical micelles, ellipsoid micelles and vesicle. The "core" formed by the active end groups of telechelic polymers was embedded on the surface and inside of the micelles. The statistical results could reveal the conditions and self-assembly mechanism of the self-assembled micelle structure of various topological polymers. The results of computer simulation research can open up research ideas in experimental scientific design and preparation of complex topological polymers. The results can provide theoretical support for obtaining thermodynamically stable self-assembled structure and support the development of new materials.

Self-assembly Study of Complex Topological Structure Constructing from Telechelic Polymer Systems