Specific zone within 8-membered ring channel as catalytic center for carbonylation of dimethyl ether and methanol over FER zeolite

doi:10.1016/j.apcata.2018.03.018

	Specific zone within 8-membered ring channel as catalytic center for carbonylation of dimethyl ether and methanol over FER zeolite
	Li, Xiujie 3; Feng, Pei 1,4; Zhang, Guanqun 2; Chen, Xiaofang 1; Zang, Kailu 1,4; Xu, Longya 3
刊名	APPLIED CATALYSIS A-GENERAL
	2018-05-05
卷号	557 页码:119-124
关键词	Dimethyl Ether Fer Zeolite Carbonylation Dft
ISSN号	0926-860X
DOI	10.1016/j.apcata.2018.03.018
文献子类	Article
英文摘要	The DFT investigation of methanol and dimethyl ether (DME) carbonylation at different sites of FER zeolite is carried out in an attempt to explore whether some specific acid sites are present to selectively catalyze the desired reaction. It is shown that the surface methoxy groups (SMG), generated by the reaction of methanol or DME with the Bronsted acid sites of zeolites, preferentially forms in the 8-membered ring (8MR) and 10-membered ring (10MR) channels. Further study of the CO attack on the SMG shows that, the carbonylation reaction occurs selectively at the 6MR zone of 8MR channel of FER zeolites. This result not only provides a theoretical perspective for the experimentally observed higher carbonylation reactivity of SMG located inside the 8MR channels, but also makes the location of the reaction more accurate.
WOS关键词	STATE NMR-SPECTROSCOPY ; METHYL ACETATE ; ACIDIC ZEOLITES ; SELECTIVE CARBONYLATION ; REACTION-MECHANISM ; BETA-ZEOLITE ; MORDENITE ; OPTIMIZATION ; FERRIERITE ; IMPACT
WOS研究方向	Chemistry ; Environmental Sciences & Ecology
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000430620300014
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/169006]
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	Chen, Xiaofang
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 2.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China 3.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China 4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Li, Xiujie,Feng, Pei,Zhang, Guanqun,et al. Specific zone within 8-membered ring channel as catalytic center for carbonylation of dimethyl ether and methanol over FER zeolite[J]. APPLIED CATALYSIS A-GENERAL,2018,557:119-124.
APA	Li, Xiujie,Feng, Pei,Zhang, Guanqun,Chen, Xiaofang,Zang, Kailu,&Xu, Longya.(2018).Specific zone within 8-membered ring channel as catalytic center for carbonylation of dimethyl ether and methanol over FER zeolite.APPLIED CATALYSIS A-GENERAL,557,119-124.
MLA	Li, Xiujie,et al."Specific zone within 8-membered ring channel as catalytic center for carbonylation of dimethyl ether and methanol over FER zeolite".APPLIED CATALYSIS A-GENERAL 557(2018):119-124.