Self-Assembly of Asymmetrical Diblock Copolymers Confined in Carbon Nanotube

Abstract:

We present molecular dynamic (MD) simulations to model and simulate the self-assembly of asymmetrical diblock copolymers (DCP) confined in carbon nanotube (CNT). The strength of the attractive interaction is systemically varied to examine effects on the self-assembled morphologies. The aim of our study is to understand how the surface energy and cohesive energy affect the structure. The dependence of the chain conformation on the strength of the surface preference is reasonably explained. The energetics is discussed qualitatively and used to account for the appearance of the complex morphological transition.

• Periodical: Applied Mechanics and Materials (Volume 420)
• Pages: 114-117
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.420.114
• Online since: September 2013
• Authors: Yu Xin Zuo, Guo Qiang Wang, Ying Yu, Chun Cheng Zuo, Yi Rui Wang
• Keywords: Diblock Copolymer, Morphology Transition, Self-Assembly

References

[1] C. Richard, F. Balavoine and P. Schultz: Science Vol. 300 (2003), p.775.

[2] Y. Yu, Y. Zuo, Z. Zhang and C. Zuo: Applied Mechanics and Materials Vol. 275-277 (2013), p.1781.

[3] Q. Cao, C. Zuo, L. Li, N. Zhang: Macromolecule Theory and Simulations Vol. 19 (2010), p.298.

[4] J. D. Weels, D. Chandler and H. C. Anderson, J. Chem: Phys Vol. 54 (1971), p.5237.

[5] G. S. Grest, K. Kremer: Phys. Rev. A Vol. 33 (1986), p.3628.