中国物理B ›› 2016, Vol. 25 ›› Issue (10): 106101-106101.doi: 10.1088/1674-1056/25/10/106101

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

Static and dynamic properties of polymer brush with topological ring structures: Molecular dynamic simulation

Wu-Bing Wan(万吴兵), Hong-Hong Lv(吕红红), Holger Merlitz(候格), Chen-Xu Wu(吴晨旭)   

  1. 1 Institute of Softmatter and Biometrics, Xiamen University, Xiamen 361005, China;
    2 Collaborative Innovation Center of Chemistry for Energy Materials, Xiamen University, Xiamen 361005, China
  • 收稿日期:2016-03-14 修回日期:2016-06-17 出版日期:2016-10-05 发布日期:2016-10-05
  • 通讯作者: Chen-Xu Wu E-mail:cxwu@xmu.edu.cn
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 11374243 and 11574256).

Static and dynamic properties of polymer brush with topological ring structures: Molecular dynamic simulation

Wu-Bing Wan(万吴兵)1,2, Hong-Hong Lv(吕红红)1,2, Holger Merlitz(候格)1, Chen-Xu Wu(吴晨旭)1,2   

  1. 1 Institute of Softmatter and Biometrics, Xiamen University, Xiamen 361005, China;
    2 Collaborative Innovation Center of Chemistry for Energy Materials, Xiamen University, Xiamen 361005, China
  • Received:2016-03-14 Revised:2016-06-17 Online:2016-10-05 Published:2016-10-05
  • Contact: Chen-Xu Wu E-mail:cxwu@xmu.edu.cn
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant Nos. 11374243 and 11574256).

摘要:

By defining a topological constraint value (rn), the static and dynamic properties of a polymer brush composed of moderate or short chains with different topological ring structures are studied using molecular dynamics simulation, and a comparison with those of linear polymer brush is also made. For the center-of-mass height of the ring polymer brush scaled by chain length hNν, there is no significant difference of exponent from that of a linear brush in the small topological constraint regime. However, as the topological constraint becomes stronger, one obtains a smaller exponent. It is found that there exists a master scaling power law of the total stretching energy scaled by chain length N for moderate chain length regime, Feneν, for ring polymer brushes, but with a larger exponent ν than 5/6, indicating an influence of topological constraint to the dynamic properties of the system. A topological invariant of free energy scaled by <c>5/4 is found.

关键词: ring polymer, topological invariant, scaling

Abstract:

By defining a topological constraint value (rn), the static and dynamic properties of a polymer brush composed of moderate or short chains with different topological ring structures are studied using molecular dynamics simulation, and a comparison with those of linear polymer brush is also made. For the center-of-mass height of the ring polymer brush scaled by chain length hNν, there is no significant difference of exponent from that of a linear brush in the small topological constraint regime. However, as the topological constraint becomes stronger, one obtains a smaller exponent. It is found that there exists a master scaling power law of the total stretching energy scaled by chain length N for moderate chain length regime, Feneν, for ring polymer brushes, but with a larger exponent ν than 5/6, indicating an influence of topological constraint to the dynamic properties of the system. A topological invariant of free energy scaled by <c>5/4 is found.

Key words: ring polymer, topological invariant, scaling

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

  • 61.41.+e