Lattice Boltzmann–Poisson method for electrorheological nanoflows in ion channels

https://doi.org/10.1016/j.cpc.2005.03.045Get rights and content

Abstract

The prospects of the lattice-Boltzmann–Poisson approach to the numerical simulation of ion channels is discussed.

Section snippets

Method and results

Let us consider a three-component, charged nanoflow (solvent, cations and anions) governed by the Stokes equations and the Poisson equation for the electrostatic potential [4]. Once confined in a cylindrical structure, the system models ion channels [9] in which charged species, typically ionic salts such as Potassium K+, Sodium Na+ and Chlorum Cl, flow through a solvent (water) across the cell membrane under the effect of ionic density gradient or applied potential. Typically, ion channels

Future developments

The present results indicate that the Lattice-Boltzmann–Poisson (LBP) method is capable of predicting a number of quantitative aspects of electrorheological transport phenomena in a charged nanofluid. This is only a preliminary step of a program whose long-term goal is the simulation of realistic ion-channels. To this purpose, major upgrades need to be put in place, primarily: (i) Realistic geometries and fluid–wall interactions, (ii) Effects of thermal fluctuations, (iii) Non-local transport

References (10)

  • R. Benzi et al.

    Phys. Rep.

    (1992)
  • D. Frenkel et al.

    Understanding Molecular Simulation

    (1996)
  • P.B. Warren

    Int. J. Mod. Phys. C

    (1997)
  • J. Horbach et al.

    Phys. Rev. E

    (2001)
  • S. Melchionna et al.

    J. Chem. Phys.

    (2003)
There are more references available in the full text version of this article.

Cited by (9)

View all citing articles on Scopus
View full text