4th North American Symposium on Chemical Reaction Engineering

Conference Program

Session 14: Reaction Engineering through Computational Catalysis
Tues. March 12, Galleria III
Co-Chairs: Dion Vlachos (University of Delaware), Alan Stottlemyer (Corteva Agriscience, DowDupont)
2:30 - 2:55 PM"Computational Framework for the Identification of Bioprivileged Molecules", Xiaowei Zhou, Zachary Brentzel, George Kraus, Peter Keeling, James Dumesic, Brent Shanks and Linda Broadbelt (10)
2:55 - 3:20 PM"Tuning Catalytic Performance of Gallium Oxide for Propane Dehydrogenation by Introducing Single Platinium Atoms", Qing-Yu Chang, Yi-An Zhu, Xing-Gui Zhou and Wei-Kang Yuan (78)
3:20 - 3:45 PM"First-Principles Kinetic Monte Carlo Study of Biomass Conversion over Supported Metal Oxide Catalyst", Xiao Li and Lars Grabow (107)
3:45 - 4:10 PMRefreshment Break
4:10 - 4:35 PM"A Topological Model for the Adsorption of Polycyclic Aromatic Hydrocarbons on Late-Transition Metal Surfaces", Zhao-Bin Ding, Matteo Tommasini and Matteo Maestri (133)
4:35 - 5:00 PM"Ab Initio Reaction Kinetics Simulations of Catalytic Methanol Synthesis Through CO2 Hydrogenation", Blaž Likozar, Drejc Kopač and Matej Huš (13)
5:00 - 5:25 PM"A Quantitative Understanding of the Water Effect on the Amine Catalyzed Aldol Reaction", Anton De Vylder, Jeroen Lauwaert, Maarten K. Sabbe, Jeriffa De Clercq, Pascal Van Der Voort and Joris W. Thybaut (85)

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Key Dates

Aug 18, 2018 — Open Call for Abstracts

Nov 2, 2018 — Award Nomination Deadline

Nov 19, 2018 — Abstract Deadline

Dec 7, 2018 — Online Registration Begins

Dec 14, 2018 — Notification of Acceptance

Feb 1, 2019 — Early Registration Deadline