Issue 37, 2008
From the journal:

Physical Chemistry Chemical Physics

Lattice Boltzmann simulations for proton transport in 2-D model channels of Nafion

Yoshinobu Akinaga,†ab   Shi-aki Hyodobc  and  Tamio Ikeshojiab  

a Research Institute for Computational Sciences (RICS), National Institute of Advanced Industrial Science and Technology (AIST), Umezono 1-1-1, Tsukuba, Japan
E-mail: akinaga@info.human.nagoya-u.ac.jp

b CREST, Japan Science and Technology Corporation (JST), Honcho 4-1-8, Kawaguchi, Japan

c TOYOTA Central R&D Labs., Inc., Nagakute, Japan

Abstract

Proton conductance in a 2-D channel with a slab-like structure was studied to verify that the lattice Boltzmann method (LBM) can be used as a simulation tool for proton conduction in a Nafion membrane, which is a mesoscopic system with a highly disordered porous structure. Diffusion resulting from a concentration gradient and migration by an electrostatic force were considered as the origins of proton transport. The electrostatic force acting on a proton was computed by solving the Poisson equation. The proton concentration in the membrane is expressed as a continuous function and the sulfonic charge is placed discretely. The space-averaged conductance of protons in a nonequilibrium stationary state was evaluated as a function of the structural parameters: namely, channel width and distribution of the sulfonic groups. The resulting space-averaged conductance deviates from the bulk values, depending particularly on the sulfonic group distribution. Details of the simulation scheme are described and the applicability of the present scheme to real membranes is discussed.

Graphical abstract: Lattice Boltzmann simulations for proton transport in 2-D model channels of Nafion

About
Cited by
Related
Download options Please wait...

Article information

DOI
https://doi.org/10.1039/B805107K
Article type
Paper
Submitted
26 Mar 2008
Accepted
11 Jun 2008
First published
29 Jul 2008

Phys. Chem. Chem. Phys., 2008,10, 5678-5688

Permissions

Request permissions

Lattice Boltzmann simulations for proton transport in 2-D model channels of Nafion

Y. Akinaga, S. Hyodo and T. Ikeshoji, Phys. Chem. Chem. Phys., 2008, 10, 5678 DOI: 10.1039/B805107K

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements