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熵驱动下柱状高分子刷螺旋结构的研究

邓真渝 翁乐纯 张冬 何林李 章林溪

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熵驱动下柱状高分子刷螺旋结构的研究

邓真渝, 翁乐纯, 张冬, 何林李, 章林溪

Helical conformation of polymer bottle brushes induced by entropy

Deng Zhen-Yu, Weng Le-Chun, Zhang Dong, He Lin-Li, Zhang Lin-Xi
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  • 自然界中广泛存在螺旋结构,在特定情形下熵能驱动高分子链形成螺旋结构. 本文采用分子动力学方法研究柱状高分子刷吸附在无限长圆柱表面时的构象行为. 发现其构象与嫁接支链条数、柱状高分子刷与圆柱表面之间的吸附能密切相关. 在较弱的吸附能下,具有较多支链条数的柱状高分子刷能形成完整的螺旋结构,其本质就是熵驱动下形成的螺旋结构. 该研究有助于加深对生物大分子螺旋结构的理解.
    Helical formation is fairly ubiquitous in nature. Under certain circumstances, entropy may induce polymer chains to form helical structures. In this article, molecular dynamics is applied to illustrate the conformation behaviors of a polymer bottle brush adsorbed onto the surface of a cylinder with infinite length. The helical conformation of a polymer bottle brush is closely related to the number of branch chains as well as the adsorption energy between the polymer bottle brush and the cylinder. Once the adsorption energy is weak, the polymer bottle brush with enough branch chains may form an entropy-induced complete helical structure. Our results may give a deeper insight into polymer helical structural studies.
    • 基金项目: 国家自然学科基金(批准号:20974081,21174131,21104060,21374102)和国家自然学科基金重点项目(批准号:20934004)资助的课题.
    • Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 20974081, 21174131, 21104060, 21374102, 20934004).
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    Watson J D, Crick F H C 1953 Nature 171 4356

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    Tong H P, Zhang L X, 2012 Acta Phys. Sin. 61 058701 (in Chinese) [仝焕平, 章林溪 2012 物理学报 61 058701]

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    Rossi M, Scheffler M, Blum V 2013 J. Phys. Chem. B 18 5574

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    Tkatchenko A, Scheffler M 2009 Phys. Rev. Lett. 102 073005

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    Bela, Mulder M 2012 Phys. Rev. Lett. 108 268305

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    Swope W C, Andersen H C, Berens P H, Wilson K R 1982 J. Chem. Phys. 76 637

    [12]

    Chai A H, Ran S Y, Zhang D, Jiang Y W, Yang G C, Zhang L X, 2013 Chin. Phys. 22 098701

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    Nap R, Szleifer I 2005 Langmuri 21 12072

    [14]

    Chen Y Y, Zhang Q, Ding J D 2006 J. Chem. Phys. 124 184903

  • [1]

    Watson J D, Crick F H C 1953 Nature 171 4356

    [2]

    Sussman J L, Harel M, Frolow F 1991 Science 253 5022

    [3]

    Snir Y, Kamien R 2005 Science 307 1067

    [4]

    Gurevitch I, Srebnik S 2007 Chem. Phys. Lett. 444 96

    [5]

    Gurevitch I, Srebnik S 2008 J. Chem. Phys. 128 144901

    [6]

    Yang Z Y, Zhang D, Zhang L X 2011 Soft Matter 7 6836

    [7]

    Tong H P, Zhang L X, 2012 Acta Phys. Sin. 61 058701 (in Chinese) [仝焕平, 章林溪 2012 物理学报 61 058701]

    [8]

    Rossi M, Scheffler M, Blum V 2013 J. Phys. Chem. B 18 5574

    [9]

    Tkatchenko A, Scheffler M 2009 Phys. Rev. Lett. 102 073005

    [10]

    Bela, Mulder M 2012 Phys. Rev. Lett. 108 268305

    [11]

    Swope W C, Andersen H C, Berens P H, Wilson K R 1982 J. Chem. Phys. 76 637

    [12]

    Chai A H, Ran S Y, Zhang D, Jiang Y W, Yang G C, Zhang L X, 2013 Chin. Phys. 22 098701

    [13]

    Nap R, Szleifer I 2005 Langmuri 21 12072

    [14]

    Chen Y Y, Zhang Q, Ding J D 2006 J. Chem. Phys. 124 184903

计量
  • 文章访问数:  6951
  • PDF下载量:  564
  • 被引次数: 0
出版历程
  • 收稿日期:  2013-08-13
  • 修回日期:  2013-09-17
  • 刊出日期:  2014-01-05

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