376 Reaction Path Analysis I

Tuesday, October 30, 2012: 3:15 PM
320 (Convention Center )
Description:
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.

Sponsor:
Catalysis and Reaction Engineering Division

Chair:
Jim Pfaendtner
Email: jpfaendt@uw.edu

Co-chairs:
Preetinder S. Virk
Email: psvirk@mit.edu

Concetta La Marca
Email: Concetta.LaMarca@usa.dupont.com

- indicates paper has an Extended Abstract file available on CD.


3:15 PM
(376a) Model Generation and Evaluation for the Oxidation of Ketones
Joshua W. Allen, William H. Green Jr. and Connie W. Gao

4:15 PM
(376d) Automated Reaction Mapping and Mechanism Identification
Eric L. First, Chrysanthos E. Gounaris and Christodoulos A. Floudas

4:35 PM
(376e) Construction, Analysis, and Modeling of Complex Reaction Networks Using RING
Srinivas Rangarajan, Aditya Bhan and Prodromos Daoutidis

5:15 PM
(376g) Feasible Pathways of HBr Formation
L. T. Fan, Shahram Shafie, Botond Bertok and Ferenc Friedler
See more of this Group/Topical: Catalysis and Reaction Engineering Division