This preliminary program is subject to change.

Reaction Path Analysis II


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:
Jennifer Wilcox
Assistant Professor
Stanford University
Department of Energy Resources Engineering
367 Panama St.
Stanford, CA 94305-2220
Phone Number: 650-724-9449
Fax Number: 650-725-2099
Email: jen.wilcox@stanford.edu

Co-Chair:
Richard H. West
Assistant Professor
Northeastern University
Department of Chemical Engineering
360 Huntington Avenue
Boston, MA 02115
Email: r.west@neu.edu


Papers:
Applications of 2D and On-Line NMR Spectroscopy in Elucidation and Reaction Kinetic Studies of the Synthesis of Urea-Formaldehyde Resins
Eleonore Kibrik, University of Kaiserslautern; Oliver Steinhof, University of Stuttgart; Werner R. Thiel, University of Kaiserslautern; Guenter Scherr, BASF SE; Hans Hasse, University of Kaiserslautern
Predictive Microkinetic Modeling of Pt-Catalyzed Ethylene Glycol Steam Reforming
Matthew A. Christiansen, University of Delaware; Dionisios G. Vlachos, University of Delaware
DFT Characterization of the Hydrolysis of β-1,4 Glycosidic Bonds
Kelly Fleming, University of Washington; Jim Pfaendtner, University of Washington
Hydrogenation of Polyhydroxyl Aromatics in Water
Jin Yang, University of Massachusetts Amherst; Ashwin Ramasubramaniam, University of Massachusetts Amherst; Paul J. Dauenhauer, University of Massachusetts-Amherst
Product Identification and Mechanism Evaluation of Supercritical Water Desulfurization of Hexyl Sulfide
Yuko Kida, MIT; Caleb Class, MIT; William H. Green Jr., MIT; Pushkaraj Patwardhan, MIT; Michael T. Timko, Aerodyne Research Inc
Automated Reaction Network Generation for the Supercritical Water Desulfurization of Hexyl Sulfide
Caleb Class, MIT; Yuko Kida, MIT; Andrew J. Adamczyk, MIT; Pushkaraj Patwardhan, MIT; Michael T. Timko, Aerodyne Research Inc; William H. Green Jr., MIT
Analysis of the Reactivity On the C10H10 and C10H11 Potential Energy Surfaces
Daniela Polino, Politecnico di Milano; Carlo Cavallotti, Politecnico di Milano
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