中国物理B ›› 2013, Vol. 22 ›› Issue (1): 16101-016101.doi: 10.1088/1674-1056/22/1/016101

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Static and dynamic properties of grafted ring polymer: molecular dynamics simulation

何素贞a b, 候格a c, 苏婵菲a, 吴晨旭a   

  1. 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
  • 收稿日期:2012-06-18 修回日期:2012-09-02 出版日期:2012-12-01 发布日期:2012-12-01
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 50873083 and 10974162).

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   

  1. 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
  • Received:2012-06-18 Revised:2012-09-02 Online:2012-12-01 Published:2012-12-01
  • Contact: Wu Chen-Xu E-mail:cxwu@xmu.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 50873083 and 10974162).

PDF (PC)

866

赞

摘要： 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.

关键词: ring polymer, molecular dynamics, scaling

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.

Key words: ring polymer, molecular dynamics, scaling

中图分类号:  (Polymers, elastomers, and plastics)

  • 61.41.+e