2020 Virtual AIChE Annual Meeting

Session: Fundamentals of Catalysis and Surface Science II: Descriptors and Trends in Reactivity

Chair

James Harris, University of Alabama

Co-Chairs

Casey O'Brien, University of Notre Dame
Tibor Szilvási, University of Wisconsin-Madison

Presentations

08:00 AM

(631a) Electro-Dynamic Formic Acid Oxidation across Different Metal Descriptors
Joshua Gopeesingh, Omar Abdelrahman

08:15 AM

(631b) Thermodynamic Discrimination between Energy Sources for Chemical Reactions
Zachary Schiffer, Aditya Limaye, Karthish Manthiram

08:45 AM

(631d) Comparison of Explicit and Implicit Representations of Coverage Dependence on the Microkinetics of Catalytic Reactions
Anshuman Goswami, Hanyu Ma, William Schneider

09:00 AM

(631e) Systematic Identification of Active Site for Propene Combustion Using Pd/Pt Bimetallic Nanoparticle Catalysts and Theoretical Insights
Verena Streibel, Tej Choksi, Angel Yang, Hassan AlJama, Cody Wrasman, Luke T. Roling, Simon Bare, Emmett Goodman, Dionne Thomas, Roel Sanchez, Ansgar Schaefer, Yuejin Li, Frank Abild-Pedersen, Matteo Cargnello

09:15 AM

(631f) Tuning the Reactivity of Metal?Triazolate Frameworks for the Catalytic Oxidation of Strong C?H Bonds
Andrew S. Rosen, Justin Notestein, Randall Snurr

09:30 AM

(631g) Mapping Catalytic Reaction Pathways through Combined Theory and Surface Sensitive Spectroscopy: Decomposition of Phenolics on Pt(111) As a Case Study
Alyssa Hensley, Claudia Wo?ckel, Reinhard Denecke, Jean-Sabin McEwen