MO1.R3.2
First principles insights into effect of charge condensation on water gas shift reaction mechanism
Venkata Rohit Punyapu, Rachel Getman, The Ohio State University, United States
Session:
MO1.R3: Computational Chemistry and Catalysis, Data Science, ML II
Track:
Computational Chemistry and Catalysis, Data Science, and AI/ML in Reaction Engineering
Location:
Room 3
Presentation Time:
Mon, 17 Feb, 11:05 - 11:25 CT (UTC -6)
Presentation
Discussion
Resources
No resources available.
Session MO1.R3
MO1.R3.1: 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, India
MO1.R3.2: First principles insights into effect of charge condensation on water gas shift reaction mechanism
Venkata Rohit Punyapu, Rachel Getman, The Ohio State University, United States
MO1.R3.3: Machine Learning for Parametric Sensitivity of Chemical Reactors
Joaquin Herrero, Tobias Misicko, Yang Xiao, Louisiana Tech University, United States
Contacts