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- W2885693977 abstract "As a key step in ethanol synthesis from syngas, zeolite-catalyzed carbonylation of dimethyl ether (DME) to methyl acetate (MA) has attracted much attention. Loading metal, especially Cu, into zeolites improves the formation of MA dramatically. As Cu0 has been identified as an active species in previous work, the present work is focused on the mechanism of carbonylation of DME over Cu/H-MOR based on results from in situ IR spectroscopic study and density functional theory (DFT) calculation. The results from the experiments and DFT calculations support a synergetic mechanism involving both the Cu and Brønsted acid sites for DME carbonylation on Cu/H-MOR. In the synergetic mechanism, the Cu0 site and the neighboring Brønsted acid site accommodate the coexistence of CH3 and CH3OH from DME adsorption and dissociation. The coadsorption of CO with the CuCH3 species facilitates CO insertion to form the acetyl species. This Cu bound acetyl species, CuCOCH3, reacts with the adsorbed CH3OH to form MA." @default.
- W2885693977 created "2018-08-22" @default.
- W2885693977 creator A5011150326 @default.
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- W2885693977 date "2018-09-01" @default.
- W2885693977 modified "2023-10-13" @default.
- W2885693977 title "Synergy between Cu and Brønsted acid sites in carbonylation of dimethyl ether over Cu/H-MOR" @default.
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- W2885693977 doi "https://doi.org/10.1016/j.jcat.2018.06.026" @default.
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