Mass Transport/Diffusion and Surface Reaction Process with Lattice Boltzmann
作者机构：Exa Corporation55 Network DriveBurlingtonMassachusetts 01773USA Ingrain Inc3733 Westheimer RoadHoustonTexas 77027USA
出 版 物：《Communications in Computational Physics》 (计算物理通讯（英文）)
年 卷 期：2011年第9卷第5期
页 面：1362-1374页
核心收录：
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学]
主 题：Lattice Boltzmann multi-component diffusion-reaction
摘 要：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 *** all these cases,mass diffusion/convection and wall or volume chemical interactions among components play an important *** the present paper we underline the importance of diffusion/convection/reaction mechanisms in bio-chemical processes using the Lattice Boltzmann(LB)*** 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 *** 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)*** 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 *** 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).
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