2021 Annual Meeting

Session: Microporous and Mesoporous Materials III: Reaction Pathways and Effects Beyond the Binding Site

Chair

Nicholas Brunelli, Ohio State University

Co-Chair

Jason S. Bates, Purdue University

Presentations

03:30 PM

(641a) Ordered Hydrogen-Bonded Alcohol Networks Confined in Lewis Acid Zeolites Accelerate Transfer Hydrogenation Turnover Rates
John Di Iorio, Yuriy Roman, Blake Johnson

03:48 PM

(641b) Computational Analysis of Monomer and Dimer Adsorption Trends in the MFI Framework
Pavlo Kostetskyy, Elsa Koninckx, Linda Broadbelt

04:06 PM

(641c) Unraveling Complex Reaction Networks Combining DFT and Zeolite-Specific Kinetic Monte Carlo Simulations
David Hibbitts, Mykela DeLuca, Hansel Montalvo-Castro

04:24 PM

(641d) Understanding the Adsorption Thermodynamics of Irreversibly Bound Adsorbates on Zeolite Surfaces
Ajibola Lawal, Omar Abdelrahman

04:42 PM

(641e) Active Sites, Kinetics, and Second Sphere Coordination Effects for CO Oxidation on Mixed-Valence Oxo-Bridged Trimers
Jacklyn Hall, Praveen Bollini

05:00 PM

(641g) Condition and Particle Size Effects on the Interconversion between Nanoparticles and Cations in Pd-Exchanged SSZ-13 Zeolites
Keka Mandal, Trevor Lardinois, Rajamani Gounder, Christopher Paolucci

05:18 PM

(349h) Investigating the Consequences of Brønsted Acid Site Proximity on Propene Oligomerization in MFI Zeolites with DFT
Lauren Kilburn, Elizabeth Bickel, Rajamani Gounder, David Hibbitts

05:36 PM

(641h) Effects of Intramolecular Forces & Solvent Mixtures on Epoxidations in Ti-Zeolites
David S. Potts, David Flaherty, Daniel Bregante, Ohsung Kwon