2023 AIChE Annual Meeting

Session: Reaction Path Analysis

Chair

Manish Shetty, University of Minnesota

Co-Chair

Presentations

03:30 PM

(702a) Recent Advances in Predictive Kinetics
William Green, Xiaorui Dong, Hao-Wei Pang, Yen-Ting Wang, Kevin Spiekermann, Haoyang Wu, Yunsie Chung, Angiras Menon

04:06 PM

(702b) Discovery of Novel Pathways Using Artificial Intelligence
Quan Zhang, William W. Sprague, Linda Broadbelt

04:24 PM

(702c) Microkinetic Elucidation of the Ethylene Hydroformylation Mechanism on a Heterogenized Rh-Based MOF Catalyst
Sébastien Siradze, Jeroen Poissonnier, Silje F. Håkonsen, Morten Frøseth, Richard H. Heyn, Joris W. Thybaut

04:42 PM

(702d) Intramolecular Catalytic Hydrogen Atom Transfer (CHAT): A Novel Mechanism Relevant to the Combustion of Traditional Fuels
Rubik Asatryan, Venus Amiri, Jason Hudzik, Mark Swihart

05:00 PM

(702e) Explaining Gas Evolution Mechanisms in Mg-Ion Batteries with Chemical Reaction Networks
Evan Spotte-Smith, Samuel M. Blau, Daniel Barter, Noel Leon, Nathan Hahn, Nikita Redkar, Kevin Zavadil, Chen Liao, Kristin Persson

05:18 PM

(702f) Investigation of Liquid Fuel Generation from Carbon Dioxide over Bimetallic Systems
Fanglin Che, Yuting Xu, Michael Ross

05:36 PM

(702g) Investigation on the Role of Acidity for NH3 Selective Catalytic Reduction of NO on Mo/Fe2O3 single Atom Catalyst
Tamilmani Selvaraj, Preeti Aghalayam, Jithin John Varghese