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Simulation Study on Translocation of Confined Chain Through Interacting Nanopore
Zi-bin Zhou,Hua-yu Li,Yong-jun Xie*
Author NameAffiliationE-mail
Zi-bin Zhou Department of Information Science, Anhui Economic Management Institute, Hefei 230059, China  
Hua-yu Li School of Chemistry and Materials Science, University of Science and Technology of China, Hefei 230026, China  
Yong-jun Xie* School of Chemistry and Materials Science, University of Science and Technology of China, Hefei 230026, China yjxie@ustc.edu.cn 
Abstract:
The translocation of a confined polymer chain through an interacting nanopore has been studied using two-dimensional bond fluctuation model with Monte Carlo dynamics. For different pore-polymer interaction, the average escaping time〈Τesc〉of the polymer chain through the nanopore, increases roughly linearly with the chain length and the nanopore length, respectively. However, the large repulsive and attractive pore-polymer interaction adds the difficulty of the monomers of the chain entering and leaving the nanopore, respec-tively, leading to the nonmonotonical dependence of〈Τesc〉on the pore-polymer interaction. The detailed translocation dynamics of the chain through the interacting nanopore is inves-tigated too.
Key words:  Monte Carlo simulation, Polymer translocation, Pore-polymer interaction, Escaping time
FundProject:
受限高分子链穿越纳米管道的计算机模拟
周自斌,李化玉,谢永军*
摘要:
采用计算机模拟研究了受限空间的高分子链穿越纳米管道的行为. 研究结果表明,对于不同的管道-高分子链相互作用的管道,高分子链成功穿越管道所需的平均时间随着链长或管道长度的增加线性增大. 然而,管道-高分子链之间较强的排斥和吸附作用会分别增加高分子链单元进入或离开管道的难度,因此高分子链的平均穿越时间随着管道-高分子链相互作用的增大非单调变化. 同时进一步研究高分子链在穿越纳米管道时的动力学过程,分析了管道-高分子链相互作用对高分子链穿越的影响.
关键词:  计算机模拟,高分子链穿越,管道-高分子相互作用,穿越时间
DOI:10.1088/1674-0068/25/03/308-312
分类号: