| Thursday, November 8, 2007: 3:30 PM-6:00 PM | |||
| Room 150 A/B/C (Salt Palace Convention Center) | |||
Catalysis and Reaction Engineering Division (20) | |||
| #646 - Reaction Path Analysis (20031) | |||
| Chemical conversion processes are controlled by the underlying reaction pathways. These paths are the foundation for reliable reaction and reactor engineering models which are invaluable in traditional design and optimization. In addition, they provide a starting basis for molecular and catalyst design. The ability to elucidate molecular and mechanistic reaction paths has been enhanced by developments in experimental and theoretical tools which allow the identity of molecular reactants, products, short-lived intermediates and active surface/reactant sites to be probed. Papers aimed at elucidating pathways, discerning the mechanism by which they occur, and advancing their utility in reaction and molecular design are invited. Papers from a broad range of technologically relevant areas including catalysis, hydrocarbon upgrading, combustion, hazardous waste removal, atmospheric chemistry, semiconductor material fabrication and biochemical conversion are sought. We will strive for a balance between experiment and theory, industry and university, and traditional and emerging technologies. | |||
| Chair: | Linda J. Broadbelt | ||
| CoChair: | Preetinder S. Virk | ||
| 3:30 PM | 646a | Quantum Mechanics Study Of Decomposition Of CF3OCF3 And (CF3CF2)2O Catalyzed By AlF3 Bangwu Jiang, David J. Keffer, Brian J. Edwards | |
| 3:50 PM | 646b | Ab Initio Study into the Mechanism of the Thermal Decomposition of Acyclic Polysulfides Aäron G. Vandeputte, Marie-Françoise Reyniers, Guy B. Marin | |
| 4:10 PM | 646c | An Ab Initio Study Of Atmospheric Selenium And Arsenic Reactions Mark Lindblad, Jennifer Wilcox | |
| 4:30 PM | 646d | Solvent Effects In The Hydrogenolysis Pathways Of Propionic Acid Nishant K. Sinha, Matthew Neurock | |
| 4:50 PM | 646e | A Graph-Theoretic Approach To Hydrogen Oxidation Reaction Saurabh Vilekar, Ilie Fishtik, Ravindra Datta | |
| 5:10 PM | 646f | Thermogravimetric Analysis Of Atr Coke Products: Reaction Mechanism For Iso-Octane Decomposition Over Nickel Catalysts Thomas A. Westrich, Xiaoyin Chen, Johannes Schwank | |
| 5:30 PM | 646g | Atr Reforming Of Tetradecane (C14H30): A Mechanistic Explanation For Hydrogen And Carbon Formation Marco J. Castaldi, Lucas Dorazio | |
| 5:50 PM | 646h | Severe Pyrolysis Of The C10 Hydrocarbons N-Decane, Cyclodecane And Decahydronaphthalene, With Graph-Theoretic Interpretations Preetinder S. Virk | |
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