An Operando Molecular Spectroscopic and Density Function Theory (DFT) Calculation Investigation of Methane Aromatization By Supported Mo/ZSM-5 Catalysts

Wachs, Israel E.

Monday, June 15, 2015: 10:20 AM

407 (Lawrence Convention Center)

Israel E. Wachs¹, Yadan Tang¹, Jih-Mirn Jehng^1,2, James Gallagher³, Jeffrey T. Miller³, Jie Gao⁴ and Simon G. Podkolzin⁴, (1)Lehigh University, USA, (2)National Chung Hsing University, Taiwan, (3)Argonne National Laboratory, USA, (4)Stevens Institute of Technology, USA.

This study aims to resolve the fundamental issues for CH₄ dehydroaromatization by supported Mo/ZSM-5 catalysts via in situ and operando spectroscopy (Raman, IR, UV-vis, and XAS), DFT calculations and isotopic CH₄/CD₄ temperature-programmed surface reaction (TPSR) spectroscopy for a systematic series of catalysts (Si/Al from 15-140 and 1-5 wt% MoO₃).

Extended Abstracts:

NAM24-Lehigh.pdf (118.6KB) - Extended Abstract

O-M-407-2 An Operando Molecular Spectroscopic and Density Function Theory (DFT) Calculation Investigation of Methane Aromatization By Supported Mo/ZSM-5 Catalysts