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:
Linda J. Broadbelt
Professor
Northwestern University
Department of Chemical Engineering
Evanston, IL 60208-3120
Phone Number: 847-491-5351
Fax Number: 847-491-3728
Email: broadbelt@northwestern.edu

Co-chairs:
Pretinder S. Virk and Jennifer L. Wilcox

Papers:
54a
Kinetics and Mechanism of N-Substituted Amide Hydrolysis in High-Temperature Water
Peigao Duan, University of Michigan; Liyi Dai, East China Normal University; Phillip E. Savage, University of Michigan
54b
Microkinetic Modeling of Polyol Thermal Decomposition and Reforming On Platinum
Michael Salciccioli, University of Delaware; Dionisios G. Vlachos, University of Delaware
54c
Integration of Computational Fluid Dynamics and Advanced Combustion Models Using An On-the-Fly Kinetic Reduction Approach
Kaiyuan He, Rutgers University, the State University of New Jersey; I.P. Androulakis, Rutgers University, the State University of New Jersey; M.G. Ierapetritou, Rutgers University, the State University of New Jersey
54d
One Approach to Kinetic Modeling of Combustion in Gaseous Composite Fuels
Anna A. Karnaukh, Institute of Problems of Chemical Physics Russian Academy of Sciences; Avigeya N. Ivanova, Institute of Problems of Chemical Physics Russian Academy of Sciences; Zoya S. Andrianova, Institute of Problems of Chemical Physics Russian Academy of Sciences; Svetlana S. Kostenko, Institute of Problems of Chemical Physics Russian Academy of Sciences
54e
Kinetic Examination and Scale up of a Pt/V Catalyzed Nitro Reduction
Brian R. Crump, GSK; Charles A Goss, GSK; Jeremy D Cobb, GSK; Mark B Mitchell, GSK; Robert E Yule, GSK
54f
Magnetic Imaging of Naphthas II: Feed Component Detection and Influence On Olefin Yields
Preetinder S. Virk, Massachusetts Institute of Technology
54g
A Novel Small Molecule Inhibitor for Complement Alternative Pathway
Chun-Hao Chiu, University of Pennsylvania; Yuko Kimura, University of Pennsylvania; Andrew D. Napper, University of Pennsylvania; Wenchao Song, University of Pennsylvania; Scott L. Diamond, University of Pennsylvania
See more of this Group/Topical: Catalysis and Reaction Engineering Division