OA53 Dynamic characterization of Co/TiO2 Fischer-Tropsch catalysts with infrared spectroscopy and DFT calculations

Thursday, June 9, 2011: 9:00 AM
Cabot Ballroom (Detroit Marriott Hotel at the Renaissance Center )
Jie Gao1, Emiel de Smit2, George B. Fitzgerald3, Adeniyi Lawal1, Bert M. Weckhuysen2 and Simon G. Podkolzin1, (1)Department of Chemical Engineering and Materials Science, Stevens Institute of Technology, Hoboken, NJ, (2)Inorganic Chemistry and Catalysis, Utrecht University, Utrecht, Netherlands, (3)Accelrys, San Diego, CA
Multiple catalyst characterization techniques, in-situ IR measurements and DFT calculations were synergistically combined to develop molecular surface models for cobalt-based Fischer-Tropsch catalysts. The catalytic surface was found to change dynamically between CoO and metallic Co as an overlayer on the oxide CoO bulk with formates as the dominant hydrocarbon species.

Extended Abstracts: