449 Reaction Path Analysis II

Wednesday, October 31, 2012: 8:30 AM
320 (Convention Center )
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

Jennifer Wilcox
Email: jen.wilcox@stanford.edu

Richard H. West
Email: r.west@neu.edu

9:30 AM
(449d) Hydrogenation of Polyhydroxyl Aromatics in Water
Jin Yang, Ashwin Ramasubramaniam and Paul J. Dauenhauer

9:50 AM
(449e) Product Identification and Mechanism Evaluation of Supercritical Water Desulfurization of Hexyl Sulfide
Yuko Kida, Caleb Class, William H. Green Jr., Pushkaraj Patwardhan and Michael T. Timko

10:10 AM
(449f) Automated Reaction Network Generation for the Supercritical Water Desulfurization of Hexyl Sulfide
Caleb Class, Yuko Kida, Andrew J. Adamczyk, Pushkaraj Patwardhan, Michael T. Timko and William H. Green Jr.
See more of this Group/Topical: Catalysis and Reaction Engineering Division