End‐Pulled Translocation of a Star Polymer Out of a Confining Cylindrical Cavity,Macromolecular Theory and Simulations

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End‐Pulled Translocation of a Star Polymer Out of a Confining Cylindrical Cavity
Macromolecular Theory and Simulations ( IF 1.8 ) Pub Date : 2021-02-22 , DOI: 10.1002/mats.202000090
Mesay Tilahun ₁ , Yergou B. Tatek ₁

Affiliation

A Langevin dynamics computer simulation is carried out to study the translocation of a single homogeneous star polymer out of a cylindrical cavity connected to a membrane wall with a circular nanopore along the tube axis. The ejection process is driven through an external pulling force applied on the free end monomer of the chain leading arm. The results show that, for a given chain mass and for relatively narrow pores, the mean translocation time 〈τ〉 exhibits a non‐monotonic dependence on the chain functionality f with the existence of a minimum at a critical functionality that defines a boundary between two distinct translocation regimes. Moreover, for a given functionality, the variations of the mean translocation time with respect to the chain mass and the magnitude of the pulling force respectively, are both found to follow a power law relationship. Finally, it has been demonstrated that the translocation dynamics can be significantly altered by changing the confining tube dimensions, with the existence of an optimal tube aspect ratio that minimizes the chain mean translocation time 〈τ〉.

中文翻译：

将星形聚合物从封闭的圆柱腔中拉出最终移位

进行Langevin动力学计算机仿真，以研究单一均相星形聚合物从连接到具有沿管轴的圆形纳米孔的膜壁的圆柱腔中的移位。顶出过程是通过施加在链条导臂的自由端单体上的外部拉力来驱动的。结果表明，对于给定的链质量和相对狭窄的孔，平均移位时间〈τ〉对链官能度f表现出非单调依赖性。关键功能中存在最小值，该最小值定义了两个不同的易位状态之间的边界。而且，对于给定的功能性，平均移位时间相对于链质量的变化和拉力的大小均被发现遵循幂律关系。最后，已经证明，通过改变约束管的尺寸，可以显着地改变易位动力学，并且存在最佳的管长宽比，该最优的长宽比使链平均易位时间＆lt;τ＆gt;最小。

更新日期：2021-03-21

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