Cation transport in nanopores

被引：4

作者：

Di Leo, J. Maranon ^{[1
,4
]}

Maranon, J. ^{[2
,3
]}

机构：

[1] Univ Nacl La Plata, Facultad Ingn, Dept Aeronaut, La Plata, Argentina

[2] Univ Nacl La Plata, Facultad Ciencias Exactas, Dept Fis, IFLP, La Plata, Argentina

[3] Univ Nacl La Plata, Fac Ciencias Exactas, Dept Fis, IFLP, La Plata, Buenos Aires, Argentina

[4] Univ Nacl La Plata, Fac Ingn, Dept Aeronaut, La Plata, Buenos Aires, Argentina

来源：

MOLECULAR SIMULATION | 2009年 / 35卷 / 04期

关键词：

confinement; rectangular nanopore; external electric potential field; cation transport; PRIMITIVE MODEL ELECTROLYTE; MOLECULAR-DYNAMICS SIMULATION; ION-TRANSPORT; CONDUCTIVITY; DIFFUSIVITY; SELECTIVITY; PERMEATION; WATER;

D O I：

10.1080/08927020802488073

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Using periodic boundary conditions and external electric potential field, we have simulated an ion current flow through a flexible nanopore using cations and an explicit extended simple point charge (SPC/E) water with molecular dynamics simulation. The simulation voltages range goes beyond the usual ionic channel measurements (1V) and yields useful information about density profiles, current density distribution and current-voltage (I-V) characteristics.

引用

页码：280 / 286

页数：7

共 35 条

[1] Molecular and Brownian dynamics study of ion selectivity and conductivity in the potassium channel [J].