435 Reaction Path Analysis

Tuesday, November 15, 2016: 3:15 PM - 5:45 PM
Franciscan C (Hilton San Francisco Union Square)
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.

Catalysis and Reaction Engineering Division

Amrit Jalan
Email: amrit.jalan@exxonmobil.com

Andrew J. Adamczyk
Email: adamczaj@airproducts.com

Preetinder Virk
Email: psvirk@mit.edu

Michael T. Klein
Email: mtk@udel.edu

Xinrui Yu
Email: xinrui.yu@exxonmobil.com

Richard H. West
Email: r.west@neu.edu

- indicates paper has an Extended Abstract file available on the online proceeding.

3:15 PM

3:28 PM

3:54 PM
(435d) Kinetics and Mechanism of Ketonization of Acetic Acid on HZSM-5 Catalyst
Abhishek Gumidyala, Tawan Sooknoi, Bin Wang and Steven Crossley
File available
4:07 PM
(435e) Methane Steam Reforming Unraveled By the Microkinetic Engine, a User-Friendly Kinetic Modelling Tool
Brigitte R. Devocht, Kenneth Toch, Naoki Kageyama, Naghmeh Fatemi, S. Ted Oyama, Guy B. Marin and Joris W. Thybaut

4:33 PM
(435g) An Assessment of Solvent Effects on the Selectivity of an Alkylation Reaction: A Comparison Between Experiments and Computations
Aikaterini Diamanti, Eliana Grant, Zara Ganase, Anita Rea, Amparo Galindo and Claire Adjiman

4:59 PM
(435i) Computational Singular Perturbation As an Analytical Tool to Study the Fischer-Tropsch Process
Debanjan Chakrabarti, Gouthami Senthamaraikkannan and Vinay Prasad
File available
5:12 PM
(435j) Mechanism, Reaction Kinetics and Multi-Scale Modelling of CO2 Hydrogenation to Methanol over Trimetallic Heterogeneous Catalysts
Neja Strah, Andraž Pavlišič, Matej Huš, Venkata Dasireddy, Andrej Pohar and Blaž Likozar
See more of this Group/Topical: Catalysis and Reaction Engineering Division