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Specific zone within 8-membered ring channel as catalytic center for carbonylation of dimethyl ether and methanol over FER zeolite
Feng, Pei1,4; Zhang, Guanqun2; Chen, Xiaofang1; Zang, Kailu1,4; Li, Xiujie3; Xu, Longya3
KeywordDimethyl Ether Fer Zeolite Carbonylation Dft
Source PublicationAPPLIED CATALYSIS A-GENERAL
2018-05-05
ISSN0926-860X
DOI10.1016/j.apcata.2018.03.018
Volume557Pages:119-124
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Life Sciences & Biomedicine
WOS SubjectChemistry, Physical ; Environmental Sciences
WOS Research AreaChemistry ; Environmental Sciences & Ecology
WOS KeywordSTATE NMR-SPECTROSCOPY ; METHYL ACETATE ; ACIDIC ZEOLITES ; SELECTIVE CARBONYLATION ; REACTION-MECHANISM ; BETA-ZEOLITE ; MORDENITE ; OPTIMIZATION ; FERRIERITE ; IMPACT
AbstractThe 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.
Language英语
WOS IDWOS:000430620300014
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/169007
Collection中国科学院大连化学物理研究所
Corresponding AuthorChen, Xiaofang
Affiliation1.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
Recommended Citation
GB/T 7714
Feng, Pei,Zhang, Guanqun,Chen, Xiaofang,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 Feng, Pei,Zhang, Guanqun,Chen, Xiaofang,Zang, Kailu,Li, Xiujie,&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 Feng, Pei,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.
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