| Preliminary Program subject to change |
| 20031 Reaction Path Analysis |
| 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. |
| Catalysis and Reaction Engineering Division (20) |
Chair
Linda J. Broadbelt
Professor
Department of Chemical and Biological Engineering
Northwestern University
2145 Sheridan Road E136
Evanston, IL 60208
Phone Number: 847-491-5351
Email: broadbelt@northwestern.edu
CoChair
Preetinder S. Virk
Department of Chemical Engineering
Massachusetts Institute of Technology
77 Massachusetts Avenue
Cambridge, MA 02139
Phone Number: 617-253-3177
Fax Number: 781-237-5380
Email: psvirk@mit.edu
|
Quantum Mechanics Study Of Decomposition Of CF3OCF3 And (CF3CF2)2O Catalyzed By AlF3
Bangwu Jiang1, David J. Keffer2 and Brian J. Edwards2, (1)Chemical Engineering, The University of Tennessee, 419 Dougherty Hall, Knoxville, TN 37996, (2)The University of Tennessee, 419 Dougherty Hall, Knoxville, TN 37996 |
Ab Initio Study into the Mechanism of the Thermal Decomposition of Acyclic Polysulfides
Aäron G. Vandeputte, Marie-Françoise Reyniers and Guy B. Marin, Laboratorium voor Petrochemische Techniek, Ghent University, Krijgslaan 281 S5, B-9000 Ghent Belgium, Ghent, Belgium |
An Ab Initio Study Of Atmospheric Selenium And Arsenic Reactions
Mark Lindblad and Jennifer Wilcox, Chemical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA 01609 |
Solvent Effects In The Hydrogenolysis Pathways Of Propionic Acid
Nishant K. Sinha, Chemical Engineering, University of Virginia, 102 Engineers Way, Charlottesville, VA 22904 and Matthew Neurock, Chemical Engineering, University of Virginia, 102 Engineers' Way, PO Box 400741, Charlottesville, VA 22904 |
A Graph-Theoretic Approach To Hydrogen Oxidation Reaction
Saurabh Vilekar, Ilie Fishtik and Ravindra Datta, Chemical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA 01609 |
Thermogravimetric Analysis Of Atr Coke Products: Reaction Mechanism For Iso-Octane Decomposition Over Nickel Catalysts
Thomas A. Westrich, Xiaoyin Chen and Johannes Schwank, Chemical Engineering, University of Michigan, 3014 HH Dow Bldg, Ann Arbor, MI 48109 |
Atr Reforming Of Tetradecane (C14H30): A Mechanistic Explanation For Hydrogen And Carbon Formation
Marco J. Castaldi and Lucas Dorazio, Earth & Environmental Engineering (HKSM), Columbia Univeristy, 500 West 120th street, 926 Mudd Building, New York, NY 10027 |
Severe Pyrolysis Of The C10 Hydrocarbons N-Decane, Cyclodecane And Decahydronaphthalene, With Graph-Theoretic Interpretations
Preetinder S. Virk, Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 |
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