当前位置: X-MOL 学术Polymer › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Nanoparticle-assisted polymer translocation through a nanopore
Polymer ( IF 4.1 ) Pub Date : 2020-07-28 , DOI: 10.1016/j.polymer.2020.122847
Mohammadreza Niknam Hamidabad , Sussan Asgari , Rouhollah Haji Abdolvahab

The effect of interaction between immobile nanoparticle and polymer on the translocation process was investigated using a three dimensional Langevin molecular dynamics. Several parameters for describing the translocation time, the polymer shape, and the dispersion of polymer were calculated. Placing a purely repulsive nanoparticle in front of the nanopore not only increases the translocation time but also cause the translocation process to be longer than the translocation process without the presence of nanoparticle. On the other hand, the attractive–repulsive nanoparticle decreases the translocation time for both having a bigger nanoparticle and stronger interaction between polymer and nanoparticle. Simulation results show that the nanoparticle effect on the translocation velocity depends on the binding energy (BE) and by increasing the BE it changes from a decelerator to an accelerator.

Moreover, the waiting time plots show a significant difference between the translocation with or without the nanoparticle and change from step-like to the bell-shaped.

Analyzing the center of the mass and shape factor, show that increasing the nanoparticle–nanopore distance will elongate the polymer and manifest itself on the shape of the polymer.



中文翻译:

纳米粒子辅助的聚合物通过纳米孔的移位

使用三维Langevin分子动力学研究了固定的纳米粒子与聚合物之间的相互作用对转运过程的影响。计算了用于描述移位时间,聚合物形状和聚合物分散性的几个参数。将纯排斥性纳米颗粒放置在纳米孔的前面不仅增加了迁移时间,而且使迁移过程比不存在纳米颗粒的迁移过程更长。另一方面,具有吸引力-排斥力的纳米粒子减少了具有较大纳米粒子以及聚合物与纳米粒子之间更强相互作用的转运时间。

此外,等待时间图显示在有或没有纳米颗粒的移位之间以及从阶梯状到钟形变化之间的显着差异。

分析质量和形状因子的中心,表明增加纳米颗粒到纳米孔的距离将延长聚合物的长度,并在聚合物的形状上显现出来。

更新日期:2020-07-30
down
wechat
bug