Volume 9, Issue 5
Mass Transport/Diffusion and Surface Reaction Process with Lattice Boltzmann

Giuseppe De Prisco & Xiaowen Shan

Commun. Comput. Phys., 9 (2011), pp. 1362-1374.

Published online: 2011-05

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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).

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@Article{CiCP-9-1362, author = {}, title = {Mass Transport/Diffusion and Surface Reaction Process with Lattice Boltzmann}, journal = {Communications in Computational Physics}, year = {2011}, volume = {9}, number = {5}, pages = {1362--1374}, 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).

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.021009.241210s}, url = {http://global-sci.org/intro/article_detail/cicp/7557.html} }
TY - JOUR T1 - Mass Transport/Diffusion and Surface Reaction Process with Lattice Boltzmann JO - Communications in Computational Physics VL - 5 SP - 1362 EP - 1374 PY - 2011 DA - 2011/05 SN - 9 DO - http://dor.org/10.4208/cicp.021009.241210s UR - https://global-sci.org/intro/article_detail/cicp/7557.html KW - AB -

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).

Giuseppe De Prisco & Xiaowen Shan. (2020). Mass Transport/Diffusion and Surface Reaction Process with Lattice Boltzmann. Communications in Computational Physics. 9 (5). 1362-1374. doi:10.4208/cicp.021009.241210s
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