TU3.R4.2
First principles insights into effect of charge condensation on water gas shift reaction mechanism
Venkata Rohit Punyapu, Rachel Getman, The Ohio State University
Session:
TU3.R4: Computational Chemistry and Catalysis, Data Science, ML II
Track:
Computational Chemistry and Catalysis, Data Science, and AI/ML in Reaction Engineering
Location:
Post Oak
Presentation Time:
Tue, 18 Feb, 16:10 - 16:30 CT (UTC -5)
Session Co-Chairs:
Saurabh Bhandari, Dow and Jiakang Chen, BASF
Presentation
Discussion
Resources
No resources available.
Session TU3.R4
TU3.R4.1: COMPUTATIONAL INSIGHTS INTO THE ADSORPTION BEHAVIOR OF H2 AND CO2 ON CU AND ZNO SURFACES FOR METHANOL SYNTHESIS
Haseen Siddiqui, Ojus Mohan, Indian Institute of Technology Bombay
TU3.R4.2: First principles insights into effect of charge condensation on water gas shift reaction mechanism
Venkata Rohit Punyapu, Rachel Getman, The Ohio State University
TU3.R4.3: Machine Learning for Parametric Sensitivity of Chemical Reactors
Joaquin Herrero, Tobias Misicko, Yang Xiao, Louisiana Tech University
Contacts