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

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...

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Bibliographic Details
Published inChinese journal of chemical engineering Vol. 20; no. 2; pp. 231 - 238
Main Author 冯剑 尚亚卓 周丽绘 刘洪来 胡英
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.04.2012
Subjects
Driving
Dynamic tests
Dynamics
Friction
friction coefficient
Globules
Langevin dynamics
Nanocomposites
Nanomaterials
nanopore
Nanostructure
polymer
translocation
动力学模拟
摩擦系数
易位
比例关系
纳米孔
线圈结构
聚合物链
高分子
polymer
translocation
Langevin dynamics
nanopore
friction coefficient
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Summary: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.
Bibliography:translocation, Langevin dynamics, friction coefficient, polymer, nanopore
FENG Jian, SHANG Yazhuo , ZHOU Lihui , LIU Honglai , HU Ying （ 1 Department of Applied Chemistry, Chuzhou University, Anhui 239012, China 2 State Key Laboratory of Chemical Engineering and Department of Chemistry, East China University of Science and Technology, Shanghai 200237, China）
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.
11-3270/TQ
ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:1004-9541
2210-321X
DOI:10.1016/S1004-9541(12)60383-8