物理学进展 ›› 2017, Vol. 37 ›› Issue (6): 212-224.

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高分子链移位动力学的理论和模拟研究

吴凡,罗孟波   

  • 发布日期:2020-10-12

Theoretical and simulational studies on the dynamics of polymer translocation

  • Published:2020-10-12

摘要: 高分子链通过纳米管道或纳米孔的移位,存在于各种生命过程中,是物理、化学和生物领 域的重要课题,在实验、理论和计算机模拟等领域已经被广泛研究,并应用于科技的不同领域。 本文总结了高分子链移位的理论和模拟方面的最新研究成果,讨论了自由能形貌对高分子链移位 动力学过程的影响。结合理论计算和模拟研究,分析了链与管道的相互作用、链的组分、链节电 荷分布、管道的性质等因素对自由能形貌和高分子链移位时间的影响,并结合自由能形貌对研究 结果进行了解释。研究结果有助于理解高分子链的移位机制,从而进一步调控高分子链的移位时 间。

关键词: 高分子链;纳米孔;纳米管道;移位;计算机模拟

Abstract: The translocation of polymer chains through nanotubes or nanopores is an important phenomenon which is highly concerned in physics, chemistry, and biology. It is of potential applications in life process and technology eld, and extensive experimental, theoretical, and simulation investiga- tions on this phenomenon have been carried out. This review article summarizes the latest theo- retical and simulation progress on the polymer translocation, and discusses the dynamic process of polymer chain translocation in the framework of translocation time. Based on the theoreti- cal calculations and simulations, the dependence of free energy landscape on the polymer-pore interaction, composition and charge distribution of polymer chain, details of nanopores, and tem- perature are discussed and compared with the predictions of free energy landscape. The results are helpful for a better understanding of the underlying mechanisms and controlling approaches of polymer translocation.

Key words: Polymer chain; Nanopore; Nanotube; Translocation; Computer simulation