Theoretical studies and molecular dynamics simulations on ion transport properties in nanochannels and nanopores

doi:10.1088/1674-1056/27/2/024702

Abstract

Control of ion transport and fluid flow through nanofluidic devices is of primary importance for energy storage and conversion, drug delivery and a wide range of biological processes. Recent development of nanotechnology, synthesis techniques, purification technologies, and experiment have led to rapid advances in simulation and modeling studies on ion transport properties. In this review, the applications of Poisson-Nernst-Plank (PNP) equations in analyzing transport properties are presented. The molecular dynamics (MD) studies of transport properties of ion and fluidic flow through nanofluidic devices are reported as well.

Keywords: nanofluidic devices ion transport Poisson-Nernst-Plank (PNP) equations molecular dynamics (MD) simulations

Received: 11 December 2017
Revised: 12 January 2018
Accepted manuscript online:

PACS:	47.85.Np	(Fluidics)
	87.15.A-	(Theory, modeling, and computer simulation)
	87.16.Vy	(Ion channels)
	88.30.rh	(Carbon nanotubes)

Fund:

Project supported by the National Natural Science Foundation of China (Grant Nos. 11374243 and 11574256).

Corresponding Authors: Chen-Xu Wu
E-mail: cxwu@xmu.edu.cn

About author: 47.85.Np; 87.15.A-; 87.16.Vy; 88.30.rh

Cite this article:

Ke Xiao(肖克), Dian-Jie Li(李典杰), Chen-Xu Wu(吴晨旭) Theoretical studies and molecular dynamics simulations on ion transport properties in nanochannels and nanopores 2018 Chin. Phys. B 27 024702

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Theoretical studies and molecular dynamics simulations on ion transport properties in nanochannels and nanopores

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