A multi-region model for reaction-diffusion process within a porous catalyst pellet
文献类型：期刊论文
| 作者 | Ye, Mao2; Li, Hua2; Liu, Zhongmin2 |
| 刊名 | CHEMICAL ENGINEERING SCIENCE
 |
| 出版日期 | 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 |
| WOS记录号 | WOS:000374538300001 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 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. |
入库方式： OAI收割
来源：大连化学物理研究所
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