COMP Emilio Esposito, Scott Wildman  Wednesday, March 28, 2012 

468 - Identification of catalytic molybdenum nanostructures on ZSM-5 for natural gas processing based on DFT calculations and operando molecular spectroscopy

Jie Gao1, Jih-Mirn Jehng2, George B. Fitzgerald3, Israel E. Wachs2, Simon G. Podkolzin1, Simon.Podkolzin@Stevens.edu. (1) Department of Chemical Engineering and Materials Science, Stevens Institute of Technology, Hoboken, New Jersey 07030, United States, (2) Operando Molecular Spectroscopy & Catalysis Laboratory, Lehigh University, Bethlehem, Pennsylvania 18015, United States, (3) 10188 Telesis Court, Accelrys, San Diego, California 92121, United States

Methane conversion into valuable aromatic products represents a highly desirable route for conversion of natural gas into liquid fuels and chemical feedstocks. An integrated computational-experimental study was performed for identifying catalytic molybdenum nanostructures supported on ZSM-5 that convert methane into liquid aromatic hydrocarbons. Information from operando Raman and UV-vis spectroscopy and from simultaneous online mass spectrometer analyses was successfully consolidated with DFT calculations.[p]



Wednesday, March 28, 2012 09:30 AM
Applications of Computational Methods to Environmentally Sustainable Solutions (08:30 AM - 12:00 PM)
Location: San Diego Convention Center
Room: Room 28C

 

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