Reaction mechanism of dimethyl ether carbonylation to methyl acetate over mordenite – a combined DFT/experimental study-Reference-Cited by-同舟云学术

Reaction mechanism of dimethyl ether carbonylation to methyl acetate over mordenite – a combined DFT/experimental study

Published:2017 Issue:5 Volume:7 Page:1141-1152
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Rasmussen D. B.¹²³⁴,Christensen J. M.¹²³⁴,Temel B.⁵⁶⁷⁴,Studt F.⁸⁹¹⁰¹¹,Moses P. G.⁵⁶⁷⁴,Rossmeisl J.¹²²³⁴,Riisager A.¹³¹⁴²³⁴,Jensen A. D.¹²³⁴^ORCID

Affiliation:

1. Department of Chemical and Biochemical Engineering

2. Technical University of Denmark

3. 2800 Kgs. Lyngby

4. Denmark

5. Haldor Topsøe A/S

6. Haldor Topsøes Allé 1

7. DK-2800 Kgs. Lyngby

8. SUNCAT Center for Interface Science and Catalysis

9. SLAC National Accelerator Laboratory

10. Menlo Park

11. USA

12. Department of Physics

13. Centre for Catalysis and Sustainable Chemistry

14. Department of Chemistry

Abstract

Dimethyl ether carbonylation to methyl acetate over mordenite was studied theoretically with density functional theory calculations and experimentally in a fixed bed flow reactor. A new reaction path to methyl acetate entirely in the 8 membered ring was discovered.

Funder

Danmarks Tekniske Universitet

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CY/C6CY01904H

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