A multi-region model for reaction-diffusion process within a porous catalyst pellet

doi:10.1016/j.ces.2016.03.004

	A multi-region model for reaction-diffusion process within a porous catalyst pellet
	Ye, Mao 2; Li, Hua 2; Liu, Zhongmin 2
刊名	CHEMICAL ENGINEERING SCIENCE
	2016-06-22
卷号	147 页码:1-12
关键词	Catalyst Reaction-diffusion Multi-region Model Meso-scale
ISSN号	0009-2509
DOI	10.1016/j.ces.2016.03.004
文献子类	Article
英文摘要	In this paper, a multi-region model based on the unified Maxwell-Stefan diffusion theory is developed to investigate the reaction-diffusion processes within catalyst pellets formed by micro-pore particles and meso/macro-pore support. The corresponding partial differential equation (PDE) systems, describing chemical reactions, bulk diffusion, Knudsen diffusion, surface diffusion and viscous flow, are converted to ODE systems based on finite volume method (FVM). The resulting multi-scale ODE systems are solved by reduced storage matrix method, where a quasi-stationary state assumption is adopted in the numerical solution to solve multi-scale problem in which the diffusivities of micro-pores and meso/macro-pores are significantly different. The alkylation of benzene over a single multi-porous pellet formed with H-ZSM-5 crystal particles was simulated as an example. The effects of volume fraction, size and spatial distribution of H-ZSM-5 crystal particles on the effectiveness factor of the catalyst pellet were then investigated and discussed. It is shown that the multi-region model is a potential bottom to up tool for reaction-diffusion processes in catalyst pellet exhibiting multi-scale time characteristic. (C) 2016 Elsevier Ltd. All rights reserved.
WOS关键词	MOLECULAR SIMULATIONS ; COMPOSITE CATALYSTS ; ADSORPTION ; ZEOLITES
WOS研究方向	Engineering
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000374538300001
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/170912]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Ye, Mao
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian NationalLaboratoryforCleanEnergy, NationalEngineeringLaboratoryforMTO iChEM(, 457 Zhongshan Rd, Dalian 116023, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian Natl Lab Clean Energy, Natl Engn Lab MTO,iChEM Collaborat Innovat Ctr Ch, 457 Zhongshan Rd, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Ye, Mao,Li, Hua,Liu, Zhongmin. A multi-region model for reaction-diffusion process within a porous catalyst pellet[J]. CHEMICAL ENGINEERING SCIENCE,2016,147:1-12.
APA	Ye, Mao,Li, Hua,&Liu, Zhongmin.(2016).A multi-region model for reaction-diffusion process within a porous catalyst pellet.CHEMICAL ENGINEERING SCIENCE,147,1-12.
MLA	Ye, Mao,et al."A multi-region model for reaction-diffusion process within a porous catalyst pellet".CHEMICAL ENGINEERING SCIENCE 147(2016):1-12.