NASCRE 44th North American Symposium on Chemical Reaction Engineering
4th North American Symposium on Chemical Reaction Engineering
| Session 14: Reaction Engineering through Computational Catalysis Tues. March 12, Galleria III |
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| 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 PM | Refreshment 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) |
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