174 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:
Michael T. Klein
Director, University of Delaware Energy Institute Dan Rich Chair of Energy
University of Delaware
Chemical and Biomolecular Engineering
Newark, DE
Phone Number: 8657766093
Email: mtk@udel.edu

Co-chairs:
Preetinder S. Virk
Massachusetts Institute of Technology
Department of Chemical Engineering
Room 66-157
Cambridge, MA
02139
Email: psvirk@mit.edu

Amrit Jalan
ExxonMobil Research and Engineering Company

Email: amrit.jalan@exxonmobil.com

Andrew J. Adamczyk
Air Products and Chemicals / Versum Materials

18195
Email: andrew.j.adamczyk@gmail.com


Papers:
Novel Copper (II) Oxide Nanoleaf Catalyst for the Hydrogen Peroxide Assisted Oxidation of Glycerol to Dicarboxylic Acids: A Combined Theoretical and Experimental Study
Quang Thang Trinh, Nanyang Technological University, Singapore (NTU); Prince N. Amaniampong, Université de Poitiers; Jithin John Varghese, Nanyang Technological University, Singapore (NTU); Francois Jerome, Université de Poitiers; Samir H. Mushrif, Nanyang Technological University
Kinetics of Cellulose Fragmentation By Pulse-Heated Analysis of Solid Reactions (PHASR)
Saurabh Maduskar, University of Minnesota; Paul J. Dauenhauer, University of Minnesota
Elucidating and Correcting the Unreliability of Continuum Solvation Methods When Modeling Homogeneous Reaction Mechanisms
Yasemin Basdogan, University of Pittsburgh; John A. Keith, University of Pittsburgh
Kinetic Modeling of the Production of Green Diesel Via Hydroprocessing
Pratyush Agarwal, University of Delaware; Michael T. Klein, University of Delaware
Carbohydrate Conformational Cartography
Heather Mayes, University of Michigan; Justin Huber, University of Michigan; Samantha Schwartz, University of Michigan; Stephen Vicchio, University of Michigan
Mechanism Development for the Generation of Furfural in Xylose Pyrolysis
Charles J. McGill, North Carolina State University; Phillip R. Westmoreland, North Carolina State University
Abstract Submissions Closed
See more of this Group/Topical: Catalysis and Reaction Engineering Division