Mass Transport/Diffusion and Surface Reaction Process with Lattice Boltzmann  

作　　者：Giuseppe De Prisco Xiaowen Shan 

机构地区：[1]Exa Corporation,55 Network Drive,Burlington,Massachusetts 01773,USA [2]Ingrain Inc,3733 Westheimer Road,Houston,Texas 77027,USA

出　　处：《Communications in Computational Physics》2011年第5期1362-1374,共13页计算物理通讯（英文）

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 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).

关 键 词：Lattice Boltzmann MULTI-COMPONENT diffusion-reaction 

分 类 号：O62[理学—有机化学]