This preliminary program is subject to change.

Reaction Path Analysis I


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:
Preetinder S. Virk
Massachusetts Institute of Technology
Department of Chemical Engineering
77 Massachusetts Avenue
Cambridge, MA 02139
Phone Number: 617-253-3177
Email: psvirk@mit.edu

Co-chairs:
Jim Pfaendtner
Assistant Professor
University of Washington
Chemical Engineering
Seattle, WA 98195
Phone Number: 206-616-8128
Fax Number: 206-685-0666
Email: jpfaendtner@uw.edu

Jennifer Wilcox
Professor
Stanford University
Department of Energy Resources Engineering
367 Panama St.
Stanford, CA 94305-2220
Phone Number: 650-724-9449
Email: wilcoxj@stanford.edu


Papers:
New Developments in the Catalytic Cycle of L-Proline-Promoted Aldol-Type Reactions
Ivan A. Konstantinov, Northwestern University; Linda J. Broadbelt, Northwestern University
Mechanism Development for Hypergolic Propellant Systems: MMH and DMAZ
Nicole Labbe, University of Massachusetts; Young-Seok Kim, University of Massachusetts; Phillip Westmoreland, North Carolina State University
The Direct Epoxidation of Propene in the Explosive Regime in a Microreactor - A Study Into the Reaction Kinetics
T. Alexander Nijhuis, Eindhoven University of Technology; Jiaqi Chen, Eindhoven University of Technology; Jaap C. Schouten, Eindhoven University of Technology
Reaction Pathways of Hydroxylamine and Ammonia Oxide
Qingsheng Wang, Oklahoma State University; Cindy Wei, BASF Corporation; Sam Mannan, Mary Kay O'Connor Process Safety Center, Texas A&M University
RING – a Rule-Based Reaction Generation Tool for Modeling Diverse Chemical Transformations
Srinivas Rangarajan, University of Minnesota; Aditya Bhan, University of Minnesota; Prodromos Daoutidis, University of Minnesota
Enantioselective Hydrogenation of C=N Double Bond by RuTsDPEN Catalyst – Spectral and DFT Investigation of the Mechanism
Marek Kuzma, Institute of Microbiology; Petr Kacer, Institute of Chemical Technology Prague; Jiri Vaclavik, Institute of Chemical Technology Prague; Radek Majdloch, Institute of Chemical Technology Prague; Petr Novak, Institute of Microbiology; Libor Cerveny, Institute of Chemical Technology Prague
See more of this Group/Topical: Catalysis and Reaction Engineering Division