| CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES |
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Unusual structural properties of polymers confined in a nanocylinder |
| Jiang Zhi-Bin (江志斌)a b c, Peng Meng-Jie (彭梦杰)a b c, Li Lin-Ling (李林玲)a b c, Zhou Dong-Shan (周东山)a b c, Wang Rong (汪蓉)a b c, Xue Gi (薛奇)a b c |
a Department of Polymer Science and Engineering, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China;
b Key Laboratory of High Performance Polymer Materials and Technology of Ministry of Education, Nanjing University, Nanjing 210093, China;
c State Key Laboratory of Coordination Chemistry and Collaborative Innovation Center of Chemistry for Life Sciences, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China |
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Abstract Structural properties of polymers confined in nanocylinders are investigated by Monte Carlo simulation, which is successfully used to consider the conformational property of constrained polymers. The conformational properties of the polymers close to the walls exhibit different features. The density profiles of polymers are enhanced near the wall of the nanocylinder, which shows that the packing densities differ near the wall and far from the wall. The highest densities near the wall of the nanocylinder decrease with increasing radius of the nanocylinder. Furthermore, the density excess is not only near the wall of the nanocylinder, but also shifts to the center of the nanocylinder at lower temperatures. The radius of gyration and the bond length of polymers in the nanocylinder show that the polymer chains tend to extend along the axis of the nanocylinder in highly confined nanocylinder and contract at lower temperature. Our results are very helpful in understanding the packing induced physical behaviors of polymers in nanocylinders, such as glass transition, crystallization, etc.
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Received: 13 January 2015
Revised: 02 April 2015
Accepted manuscript online:
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PACS:
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68.35.bm
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(Polymers, organics)
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68.08.De
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(Liquid-solid interface structure: measurements and simulations)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 21474051, 21074053, and 51133002), the National Basic Research Program of China (Grant No. 2012CB821503), and the Program for Changjiang Scholars and Innovative Research Team in University, China. |
Corresponding Authors:
Wang Rong, Xue Gi
E-mail: wangrong@nju.edu.cn;xuegi@nju.edu.cn
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Cite this article:
Jiang Zhi-Bin (江志斌), Peng Meng-Jie (彭梦杰), Li Lin-Ling (李林玲), Zhou Dong-Shan (周东山), Wang Rong (汪蓉), Xue Gi (薛奇) Unusual structural properties of polymers confined in a nanocylinder 2015 Chin. Phys. B 24 076801
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