Mesoscale distribution of adsorbates in ZSM-5 zeolite

doi:10.1016/j.ces.2018.09.050

	Mesoscale distribution of adsorbates in ZSM-5 zeolite
	Huang, Wen Lai 1; Li, Jinghai 1; Liu, Zhicheng 2; Zhou, Jian 2; Ma, Chao 1,3; Wen, Li-Xiong 3
刊名	CHEMICAL ENGINEERING SCIENCE
	2019-04-28
卷号	198 页码:253-259
关键词	Mesoscale structure Heterogeneous catalysis Compromise in competition Steady state Zeolite Channel utilization
ISSN号	0009-2509
DOI	10.1016/j.ces.2018.09.050
英文摘要	Complex distribution of adsorbates can emerge in heterogeneous catalysis due to the compromise among different mechanisms (showing different tendencies of structural evolution) associated with different processes. On two-dimensional catalyst surfaces, all the surfaces are exposed to the gas reservoir (and thus adsorption and desorption processes are accessible to all the surfaces), and we have investigated the effects of adsorption, desorption, diffusion, and reactions on the adlayer structure, and revealed the mechanisms (Huang and Li, 2016). However, in zeolites, only the entrances (or exits) of the pore channels are exposed to the gas reservoir (and thus adsorption and desorption processes are limited there), so the mesoscale behavior might be somewhat different. In this work we explore the influence of adsorption, desorption, diffusion, and reactions on the adsorbate distribution in the ZSM-5 zeolite using kinetic Monte Carlo simulations. Complex distributions of adsorbates (nonlinearly gradient, showing apparent adsorbate shells in some cases) have been revealed, and the channel utilization has been evaluated. The approach and results might be useful to catalyst design, especially determining the optimal thickness of zeolite on a catalyst particle (pellet), since the channel utilization is a measure of effective fraction of the catalyst and is correlated with the practical efficiency of catalysis. (C) 2018 Elsevier Ltd. All rights reserved.
资助项目	National Natural Science Foundation of China[91534104] ; National Natural Science Foundation of China[21878300] ; National Natural Science Foundation of China[91434102] ; National Natural Science Foundation of China[91334102] ; State Key Laboratory of Multiphase Complex Systems in China[MPCS-2017-A-02] ; Research Center for Mesoscience at Institute of Process Engineering, Chinese Academy of Sciences[COM2015A002] ; Shanghai Rising-Star Program[18QB1404500]
WOS关键词	SPATIOTEMPORAL SELF-ORGANIZATION ; DIFFUSIVITY ; ADLAYER
WOS研究方向	Engineering
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000458810700022
资助机构	National Natural Science Foundation of China ; State Key Laboratory of Multiphase Complex Systems in China ; Research Center for Mesoscience at Institute of Process Engineering, Chinese Academy of Sciences ; Shanghai Rising-Star Program
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/28010]
专题	中国科学院过程工程研究所
通讯作者	Huang, Wen Lai
作者单位	1.Chinese Acad Sci, State Key Lab Multiphase Complex Syst, Inst Proc Engn, POB 353, Beijing 100190, Peoples R China 2.SINOPEC, Shanghai Res Inst Petrochem Technol, Shanghai 201208, Peoples R China 3.Beijing Univ Chem Technol, Coll Chem Engn, Beijing 100029, Peoples R China
推荐引用方式 GB/T 7714	Huang, Wen Lai,Li, Jinghai,Liu, Zhicheng,et al. Mesoscale distribution of adsorbates in ZSM-5 zeolite[J]. CHEMICAL ENGINEERING SCIENCE,2019,198:253-259.
APA	Huang, Wen Lai,Li, Jinghai,Liu, Zhicheng,Zhou, Jian,Ma, Chao,&Wen, Li-Xiong.(2019).Mesoscale distribution of adsorbates in ZSM-5 zeolite.CHEMICAL ENGINEERING SCIENCE,198,253-259.
MLA	Huang, Wen Lai,et al."Mesoscale distribution of adsorbates in ZSM-5 zeolite".CHEMICAL ENGINEERING SCIENCE 198(2019):253-259.