| CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES |
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Static and dynamic properties of grafted ring polymer: molecular dynamics simulation |
| He Su-Zhen (何素贞)a b, Holger Merlitz (候格)a c, Su Chan-Fei (苏婵菲)a, Wu Chen-Xu (吴晨旭)a |
a Department of Physics and ITPA, Xiamen University, Xiamen 361005, China;
b Department of Electronic Engineering, Putian University, Putian 351100, China;
c Leibniz-Institut fürPolymerforschung Dresden, Dresden 01069, Germany |
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Abstract The static and dynamic properties of a system of end-grafted flexible ring polymer chains grafted to a flat substrate and exposed to a good solvent are studied by a molecular dynamics method. The monomers are described by a coarse-grained bead-spring model. Varying the grafting density ρ and the degree of polymerization or chain length N, we obtain the density profiles of monomers, study the structural properties of the chain (radius of gyration, bond orientational parameters, etc.), and also present the dynamic characteristics such as chain energy and bond force. Compared with linear polymer brush, the ring polymer brush exhibits different static and dynamic properties for moderate or short chain length, while it behaves like linear polymer brush in the regime of long chain length.
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Received: 18 June 2012
Revised: 02 September 2012
Accepted manuscript online:
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PACS:
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61.41.+e
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(Polymers, elastomers, and plastics)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 50873083 and 10974162). |
Corresponding Authors:
Wu Chen-Xu
E-mail: cxwu@xmu.edu.cn
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Cite this article:
He Su-Zhen (何素贞), Holger Merlitz (候格), Su Chan-Fei (苏婵菲), Wu Chen-Xu (吴晨旭) Static and dynamic properties of grafted ring polymer: molecular dynamics simulation 2013 Chin. Phys. B 22 016101
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