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Monitoring the methanol conversion process in H-ZSM-5 using synchrotron X-ray powder diffraction-mass spectrometry

DOI: 10.1016/j.jcat.2018.06.027 DOI Help

Authors: Benedict T. W. Lo (University of Oxford) , Lin Ye (University of Oxford) , Claire A. Murray (Diamond Light Source) , Chiu C. Tang (Diamond Light Source) , Donghai Mei (Pacific Northwest National Laboratory, Physical and Computational Sciences Directorate & Institute for Integrated Catalysis) , Shik Chi Edman Tsang (University of Oxford)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Catalysis , VOL 365 , PAGES 145 - 152

State: Published (Approved)
Published: September 2018

Abstract: Using synchrotron X-ray powder diffraction-mass spectrometry in combination with theoretical calculations, we probed the structural changes of adsorbed methanol species in H-ZSM-5 for the first time during catalytic conversion of methanol. Preliminary experimental and computational findings suggested that associative mechanism was the dominant reaction pathway in the early stage of the reaction at 200 °C. Also, we observed a minor contribution from dissociative mechanism of the adsorbed methoxy intermediate species, CH3-Oz (where Oz is a framework oxygen atom), at Brønsted acid sites. It led to methoxy accumulation during the late stage of the reaction, which was postulated to be the initial step that produced ‘hydrocarbon pool’ and ‘coke’ through the formation of CC bonds.

Journal Keywords: Synchrotron X-ray powder diffraction-mass spectrometry; Methanol conversion; Density functional theory; H-ZSM-5 zeolites; Carbon deposition

Subject Areas: Chemistry


Instruments: I11-High Resolution Powder Diffraction