2020 Virtual AIChE Annual Meeting

Session: Microporous and Mesoporous Materials I: Structure Fundamentals

Chair

Michele L. Sarazen, Princeton University

Co-Chairs

Marat Orazov, University of Delaware
Jason S. Bates, Purdue University

Presentations

08:00 AM

(714a) Ab-Initio characterization of Water Clusters at Acid Sites in Microporous Zeolites and Their Influence on Ethanol Dehydration Kinetics
Brandon Bukowski, Jason S. Bates, Rajamani Gounder, Jeffrey Greeley

08:15 AM

(714b) Assessing the Kinetic Effects of Al Siting on Methanol Dehydration in Different Zeolite Void Environments Using Density Functional Theory
Alexander Hoffman, Claire Nimlos, Ashlyn Petro, Philip M. Kester, John Di Iorio, Steven V. Nystrom, Rajamani Gounder, David Hibbitts

08:30 AM

(714c) Structure-Dependent Organization of Alkanols inside Zeolites Influences the Enthalpic and Entropic Contributions Towards Dehydration Kinetics
Manish Shetty, Huamin Wang, Feng Chen, Donald M. Camaioni, Johannes Lercher, Oliver Gutiérrez-Tinoco

08:45 AM

(714d) Framework Structures and Heteroatom Distributions in the Zeolite Catalyst SSZ-70
Zachariah Berkson, Stef Smeets, Stacey Zones, Anne Lesage, Christian Baerlocher, David Gajan, Lynne McCusker, Bradley F. Chmelka

09:00 AM

(714e) Towards Data-Driven Structure-Property Relations for Predicting Adsorption Entropy in Siliceous Zeolites
Christopher Rzepa, Srinivas Rangarajan, Daniel Siderius, Jeetain Mittal, Harold Hatch, Vincent K. Shen

09:15 AM

(714f) Structural Changes and Catalytic Performance of SAPO-34 after Prolonged Hydrothermal Treatments
Stephen Schuyten, Ivalina Minova, Paul A. Wright

09:30 AM

(714g) Identification of Different Proton and Aluminum Species in H-ZSM5
Vy Nguyen, Jeffery White, Bin Wang

09:45 AM

(714h) Micropore-Mediated Interactions Among Surface Intermediates: Role of Oxidant Structure and Pore Size on Alkene Epoxidation in Titanium Silicates
Daniel Bregante, Jun Zhi Tan, Rebecca Schultz, David Potts, E. Zeynep Ayla, Chris Torres, David Flaherty