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Polymers 2015, 7(1), 120-133; doi:10.3390/polym7010120

Phase Behavior of Copolymers Confined in Multi-Walled Nanotubes: Insights from Simulations

College of Mechanical Science and Engineering, Jilin University, Changchun 130022, China
College of Mechanical and Electrical Engineering, Jiaxing University, Jiaxing 314033, China
Author to whom correspondence should be addressed.
Academic Editor: Philipp Vana
Received: 13 September 2014 / Accepted: 7 January 2015 / Published: 16 January 2015
(This article belongs to the Special Issue Complex Macromolecular Architectures)
View Full-Text   |   Download PDF [3847 KB, uploaded 16 January 2015]   |  


In this paper, the self-assembly process of diblock copolymers confined in multi-walled cylindrical nanotubes is systematically investigated using a molecular dynamics (MD) method. The dependence of resultant morphologies on the degree of confinement and on the interaction strength between nanotubes and copolymers is studied comprehensively. When the wall surfaces are not preferential, results indicate that geometric confinement significantly influences copolymer conformations. In addition, the thickness of the helical lamellar structure increases with interaction strength and confinement size. In cases where the nanotubes are strongly attracted to one copolymer block, the confinement effect weakens as geometric space increases. Findings explain the dependence of chain conformation on the degree of confinement and the strength of surface preferences. View Full-Text
Keywords: self-assembly; block copolymers; multi-walled nanotubes; phase behavior; molecular dynamics self-assembly; block copolymers; multi-walled nanotubes; phase behavior; molecular dynamics

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Zuo, Y.; Wang, G.; Yu, Y.; Zuo, C.; Shi, L.; Shi, F.; Wei, J. Phase Behavior of Copolymers Confined in Multi-Walled Nanotubes: Insights from Simulations. Polymers 2015, 7, 120-133.

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