2022 Annual Meeting

Session: Reaction Path Analysis

Chair

Manjiri Moharir, Exxonmobil

Co-Chair

Presentations

03:30 PM

(180a) Mechanistic Investigations into the Hydrolysis of Carbonyl Sulfide on Metal Oxides By Ab-Initio Simulations
Pranav Kherdekar, Shantanu Roy, Divesh Bhatia

03:55 PM

(180b) Understanding the Complex Reaction Network of Model Polyolefin Upcycling Via Informatics and Machine Learning
Chin-FEI Chang, Srinivas Rangarajan

04:20 PM

(180c) Revealing Molecular-Level Interactions and Kinetics of Cellulose Decomposition during Its Co-Pyrolysis with Lignin
Fuat Sakirler, Hsi-Wu Wong

04:45 PM

(180d) Accelerating the Process of Combustion Mechanism Discovery through Correlated Uncertainty and Sensitivity Analysis
Sevy Harris, Carly LaGrotta, Mark Barbet, Michael Burke, Richard West

05:10 PM

(180e) Metal-Organic Framework Catalysts for Chemical Upgrading Reactions
Saumil Chheda, Dong Yang, Katherine McCullough, Daniel King, Joern Siepmann, Massimiliano Delferro, Bruce C. Gates, Laura Gagliardi

05:35 PM

(180f) Mechanistic Insights into the Cobalt-Catalyzed Fischer-Tropsch Synthesis
G. T. Kasun Kalhara Gunasooriya