Issue 18, 2005

LBGK method coupled to time splitting technique for solving reaction-diffusion processes in complex systems

Abstract

A new approach to numerically solve a reaction-diffusion system is given, specifically developed for complex systems including many reacting/diffusing species with broad ranges of rate constants and diffusion coefficients, as well as complicated geometry of reacting interfaces. The approach combines a Lattice Boltzmann (LB) method with a splitting time technique. In the present work, the proposed approach is tested by focusing on the typical reaction process between a metal ion M and a ligand L, to form a complex ML with M being consumed at an electrode. The aim of the paper is to systematically study the convergence conditions of the associated numerical scheme. We find that the combination of LB with the time splitting method allows us to solve the problem for any value of association and dissociation rate constant of the reaction process. Also, the method can be extended to a mixture of ligands. We stress two main points: (1) the LB approach is particularly convenient for the flux computation of M and (2) the splitting time procedure is very well suited for reaction processes involving association–dissociation rate constants varying on many orders of magnitude.

Graphical abstract: LBGK method coupled to time splitting technique for solving reaction-diffusion processes in complex systems

Supplementary files

Article information

Article type
Paper
Submitted
27 Apr 2005
Accepted
14 Jul 2005
First published
08 Aug 2005

Phys. Chem. Chem. Phys., 2005,7, 3331-3341

LBGK method coupled to time splitting technique for solving reaction-diffusion processes in complex systems

D. Alemani, B. Chopard, J. Galceran and J. Buffle, Phys. Chem. Chem. Phys., 2005, 7, 3331 DOI: 10.1039/B505890B

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