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Mass Transport/Diffusion and Surface Reaction Process with Lattice Boltzmann

Published online by Cambridge University Press:  20 August 2015

Giuseppe De Prisco  and
Xiaowen Shan
Giuseppe De Prisco*
Affiliation:
Exa Corporation, 55 Network Drive, Burlington, Massachusetts 01773, USA Ingrain Inc, 3733 Westheimer Road, Houston, Texas 77027, USA
Xiaowen Shan*
Affiliation:
Exa Corporation, 55 Network Drive, Burlington, Massachusetts 01773, USA
*
Corresponding author.Email:deprisco@ingrainrocks.com
Email:xiaowen@exa.com
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Abstract

Multi-component flow with chemical reactions is a common problem in different industrial applications: the mixing chamber of a reaction injection molding (RIM) machine; the dynamics of diesel soot particles interacting with a porous-ceramic particulate filter; reactive transport in porous media; bio-chemical processes involving enzyme-catalyzed kinetics. In all these cases, mass diffusion/convection and wall or volume chemical interactions among components play an important role. In the present paper we underline the importance of diffusion/convection/reaction mechanisms in bio-chemical processes using the Lattice Boltzmann (LB) technique. The bio-application where we studied diffusion/convection/reaction mechanisms is the quorum-sensing pathway for the bio-synthesis of the AI-2, a molecule that allows the bacteria to launch a coordinated attack on a host immune system (see [9,10] for more details of the bio-application). The overall goal is to create a micro-device to screen potential drugs that inhibit AI-2 bio-synthesis. The Michaelis-Menten saturation kinetic model is implemented at the reactive surface and the results are shown in terms of two dimensionless numbers: Damkohler (Da) and Peclet (Pe) number. For high Pe number a small conversion of reactants into products is obtained at the reactive surface, but the overall flux of products is high; moreover, a fast saturation of the conversion of reactants to products is obtained for high Da numbers. The trade-off for setting the Pe and Da numbers depends on the specific application and the technologies used in the micro-device (e.g., sensitivity of the detector, cost of reactants).

Keywords

76P0576R0576R5074F2592C4505.10.-a05.20.Dd47.11.Qr47.63.mfLattice Boltzmannmulti-componentdiffusion-reaction
Type
Research Article
Information
Communications in Computational Physics , Volume 9 , Issue 5 , May 2011 , pp. 1362 - 1374
Copyright
Copyright © Global Science Press Limited 2011

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