A DFT Study of Dimethyl Ether Carbonylation on Mordenite

Rasmussen, Dominik Bjørn

Monday, June 3, 2013

Ballroom C (Galt House Hotel)

Dominik Bjørn Rasmussen¹, Burcin Temel², Poul Georg Moses², Jakob M. Christensen¹, Jan Rossmeisl¹, Anders Riisager¹ and Anker D. Jensen¹, (1)Technical University of Denmark, Denmark, (2)Haldor Topsøe A/S, Denmark.

Ketene may be formed as an intermediate under DME carbonylation over Mordenite and in the main channel it is the only intermediate that can react to acetyl. Those findings are consistent with the observation that zeolites with smaller channels than 12-MR are more resistant to coke formation.

Extended Abstracts:

Abstract NACS DBJRA_12112012_v3.pdf (54.3KB) - Extended Abstract

P-M-BRC-47 A DFT Study of Dimethyl Ether Carbonylation on Mordenite