A modeling study on reaction and diffusion in MTO process over SAPO-34 zeolites

doi:10.1016/j.cej.2018.08.054

	A modeling study on reaction and diffusion in MTO process over SAPO-34 zeolites
	Gao, Mingbin 1,2; Li, Hua 1; Yang, Miao 1; Zhou, Jibin 1,2; Yuan, Xiaoshuai 1,2; Tian, Peng 1; Ye, Mao 1; Liu, Zhongmin 1
刊名	CHEMICAL ENGINEERING JOURNAL
	2019-12-01
卷号	377 页码:12
关键词	MTO Reaction-diffusion model Dual-cycle mechanism SAPO-34
ISSN号	1385-8947
DOI	10.1016/j.cej.2018.08.054
通讯作者	Ye, Mao(maoye@dicp.ac.cn)
英文摘要	In this work, a modeling approach based on the dual-cycle mechanism and Maxwell-Stefan diffusion theory is developed to investigate the reaction and diffusion in methanol-to-olefins (MTO) process over SAPO-34 zeolites. In this work, the effect of coke formation on diffusion and adsorption in SAPO-34 zeolites were taken into consideration. The diffusivities and adsorption isotherms of the molecules of reactant and main product were derived by experimental measurements of the uptake rate of guest molecules. This model was used to study MTO reaction over SAPO-34 zeolites with different crystal size. It is shown that the model can capture the main features of MTO reaction as obtained by experiments, for instance, the different roles of the olefins-base cycle and aromatic-base cycle at different stage of the reaction. This model can predict the evolution of activated coke and non-activated coke during the reaction process. In particular, the simulation results directly show that the formation of non-activated coke can cause the pore blocking inside SAPO-34 zeolites and constrain the diffusion of different guest molecules to various extend. This is essential for us to understand the effect diffusion on catalyst lifetime and product selectivity in MTO reaction over SAPO-34 zeolites.
资助项目	National Key Research and Development Program of China[2018YFB0604904]
WOS关键词	TO-OLEFIN CONVERSION ; METHANOL CONVERSION ; LIGHT OLEFINS ; COKE DEPOSITION ; DEACTIVATION ; SIZE ; HYDROCARBONS ; SELECTIVITY ; CATALYST ; NANOCRYSTALS
WOS研究方向	Engineering
语种	英语
出版者	ELSEVIER SCIENCE SA
WOS记录号	WOS:000489122300021
资助机构	National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China ; National Key Research and Development Program of China
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/172341]
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, Natl Engn Lab MTO, Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 10049, Peoples R China
推荐引用方式 GB/T 7714	Gao, Mingbin,Li, Hua,Yang, Miao,et al. A modeling study on reaction and diffusion in MTO process over SAPO-34 zeolites[J]. CHEMICAL ENGINEERING JOURNAL,2019,377:12.
APA	Gao, Mingbin.,Li, Hua.,Yang, Miao.,Zhou, Jibin.,Yuan, Xiaoshuai.,...&Liu, Zhongmin.(2019).A modeling study on reaction and diffusion in MTO process over SAPO-34 zeolites.CHEMICAL ENGINEERING JOURNAL,377,12.
MLA	Gao, Mingbin,et al."A modeling study on reaction and diffusion in MTO process over SAPO-34 zeolites".CHEMICAL ENGINEERING JOURNAL 377(2019):12.