Simulation Study on the Self-assembly of Softtriblock Janus Particles†

doi:10.7503/cjcu20190062

Chem. J. Chinese Universities ›› 2019, Vol. 40 ›› Issue (5): 1037.doi: 10.7503/cjcu20190062

• Polymer Chemistry • Previous Articles Next Articles

Simulation Study on the Self-assembly of Softtriblock Janus Particles^†

WANG Yanhui^1,², ZOU Qingzhi^2,³, ZHU Youliang^2,^3,^*(), FU Cuiliu^2,³, HUANG Yineng^1,^4,^*(), LI Zhanwei^2,³, SUN Zhaoyan^1,^2,³

1. Xinjiang Laboratory of Phase Transitions and Microstructures in Condensed Matter Physics, University of Physical Science and Technology, 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. University of Science and Technology of China, School of Applied Chemistry and Engineering, Hefei 230026, China
4. School of Physics, National Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China

Received:2019-01-21 Online:2019-04-08 Published:2019-04-08
Contact: ZHU Youliang,HUANG Yineng E-mail:youliangzhu@ciac.ac.cn;ynhuang@nju.edu.cn
Supported by:
† Supported by the National Key R&D Program of China(No.2018YFB0703701), the National Natural Science Foundation of China(Nos.21674116, 21790344, 21774129, 21833008), the Key Research Program of Frontier Sciences of Chinese Academy of Science, China(No.QYZDY-SSW-SLH027) and the Jilin Provincial Science and Technology Development Program, China(No.20190101021JH)

Abstract

Abstract:

The self-assembly of soft triblock Janus particles in dilute solutions were simulated by the soft patchy particle model and coarse-grained molecular dynamics. By properly tuning the patch size and the attraction strength between the patches, we obtained various ordered self-assembly structures, including string-like structures, hexagonal columnar structures, fibre-like body-centered tetragonal structures, and three-dimensional networks. Furthermore, the formation process of the fibre-like body-centered tetragonal structures was analyzed in detail. These soft triblock Janus particles in our model are well within the reach of today’s experimental capabilities. Therefore, our results provide conceptual and practical guidance towards the experimental realization of novel nanostructures.

Key words: Soft triblock Janus particle, Self-assembly, Mesoscale dynamics simulation

CLC Number:

O631

TrendMD:

WANG Yanhui,ZOU Qingzhi,ZHU Youliang,FU Cuiliu,HUANG Yineng,LI Zhanwei,SUN Zhaoyan. Simulation Study on the Self-assembly of Softtriblock Janus Particles^†[J]. Chem. J. Chinese Universities, 2019, 40(5): 1037.

Figures/Tables 5

Fig.1 Soft triblock Janus particle model

Fig.2 Self-assembly diagram in the G-θmκ plane

Fig.3 Typical self-assembled structures marked by circled symbols in diagram shown in short strings(A), strings(B), hexagonal columnar(HC) structure(C), top view of HC(D), fibre-like body-centered tetragonal(BCT) structure(E), top view of BCT(F) and network(G)For the clarity, we only show Janus solute particles in these systems.

Fig.4 Distribution N(s) of the number of contacts s between the patches on the surface of triblock Janus particle(A) and the radial distribution function g(r) for typical self-assembled structures(B)

Fig.5 Typical snapshots taken at different simulation time(A) 2.0×101τ; (B) 2.0×102τ; (C) 1.0×104τ; (D) 1.23×104τ; (E) 1.32×104τ; (F)7.00×104τ.

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Simulation Study on the Self-assembly of Softtriblock Janus Particles^†

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