Cation transport in nanopores |
| |
Authors: | J Marañón Di Leo |
| |
Institution: | Departamento de Aeronáutica, Facultad de Ingeniería , Universidad Nacional de La Plata , La Plata, Argentina |
| |
Abstract: | 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 ( ± 1 V) and yields useful information about density profiles, current density distribution and current–voltage (I–V) characteristics. |
| |
Keywords: | confinement rectangular nanopore external electric potential field cation transport |
|
|