文献类型：期刊文献

中文题名：Translocation of Polymer Through a Nanopore Studied by Langevin Dynamics:Effect of the Friction Coefficient

英文题名：聚合物纳米孔迁移的朗之万动力学研究:摩擦系数影响(英文)

作者：冯剑[1];尚亚卓[2];周丽绘[2];刘洪来[2];胡英[2]

机构：[1]Department of Applied Chemistry,Chuzhou University;[2]State Key Laboratory of Chemical Engineering and Department of Chemistry,East China University of Science and Technology

年份：2012

卷号：20

期号：2

起止页码：231

中文期刊名：Chinese Journal of Chemical Engineering

外文期刊名：中国化学工程学报（英文版）

收录：CSTPCD;;Scopus;CSCD:【CSCD2011_2012】；

基金：Supported by the National Natural Science Foundation of China (20736002, 20706013), the Open Project of the State Key Laboratory of Chemical Engineering ECUST (SKL-ChE-09C02) and the Natural Science Fund of the Education Department of Anhui Province (KJ2011B116).

语种：中文

中文关键词：translocation; Langevin dynamics; friction coefficient; polymer; nanopore

外文关键词：动力学模拟;摩擦系数;纳米孔;易位;高分子;聚合物链;比例关系;线圈结构

摘要：The driven polymer translocation through a nanopore with unbiased initial configuration has been studied by using Langevin dynamics(LD) simulations.It is found that the scaling relationship between translocation time and the polymer chain length is strongly affected by the friction coefficient in LD and the driving force.However,there is no scaling relationship between the translocation time and the friction coefficient.The translocation time is almost inversely proportional to the driving force,which is in agreement with those obtained in biased translocation.The scaling relationship between gyration radius(R g) of subchain at the trans side with the subchain length(L) is R g ～L 0.33 that is in good agreement with the limiting value for molten globule state,while the curve of R g of subchain at the cis side has two distinct stages.During translocation,the subchain at the cis side is being stretched gradually,and the structure of the subchain transforms from sphere-like to rod-like.When the effect of stretching reaches the tail end,the subchain is at the most stretched state.Finally the subchain will rapidly restore to coil structure.According to the results of force analysis,the retarding force at the trans side is more crucial during the practical translocation.
The driven polymer translocation through a nanopore with unbiased initial configuration has been studied by using Langevin dynamics（LD） simulations.It is found that the scaling relationship between translocation time and the polymer chain length is strongly affected by the friction coefficient in LD and the driving force.However,there is no scaling relationship between the translocation time and the friction coefficient.The translocation time is almost inversely proportional to the driving force,which is in agreement with those obtained in biased translocation.The scaling relationship between gyration radius（Rg） of subchain at the trans side with the subchain length（L） is R g ～L 0.33 that is in good agreement with the limiting value for molten globule state,while the curve of R g of subchain at the cis side has two distinct stages.During translocation,the subchain at the cis side is being stretched gradually,and the structure of the subchain transforms from sphere-like to rod-like.When the effect of stretching reaches the tail end,the subchain is at the most stretched state.Finally the subchain will rapidly restore to coil structure.According to the results of force analysis,the retarding force at the trans side is more crucial during the practical translocation.