2025 AIChE Annual Meeting

Session: Fundamentals of Catalysis and Surface Science IV: Hydrocarbon Catalysis and CO2 Upgrading

This session broadly focuses on all fundamental aspects of catalysis and reaction engineering, including catalytic kinetics, surface chemistry, and reaction mechanisms. Theoretical and experimental contributions are welcome.

Chair

Tibor Szilvasi, The University of Alabama, Department of Chbe

Co-Chair

Presentations

03:48 PM

(407b) Investigation of Cr Species and Its Stability on Unsupported Cr2O3 for Isobutane Dehydrogenation
Rong Xing, Vladimir Fridman, Mingyong Sun

04:06 PM

(407a) Alcohol Dehydration and Dehydrogenation on Anatase TiO2: Site Requirements and Reaction Pathways
Stephanie Kwon

04:24 PM

(407d) Enhancing Methanol Production Via CO? Hydrogenation: Catalyst Selection and Multivariable Analysis Using Design of Experiments Framework
Pratyush Kumar, Atanu Mukherjee, Amrita Dey, Arunava Maity, Soukarsa Das, Abhijit Sarkar

04:42 PM

(407e) Structure-Activity Relationships of Metal Oxide/Cu-Based Catalysts for CO2 Hydrogenation to Methanol
Junjie Chen, Anshuman Goswami, Ezgi Erdem, Nadine Humphrey, Rachel Spurlock, Alessandro Gallo, Andrzej Rogala, Stacey F. Bent, Frank Abild-Pedersen, Thomas Jaramillo

05:00 PM

(407f) Thermochemical Properties of Reactive Hydrogen Species and Their Catalytic Consequences in Electrophilic Addition and Ring Saturation Catalysis of Phenol
Junfeng Guo, Abel Tetteh Sika-Nartey, Kamal Nayan, William Broomhead, Ya-Huei (Cathy) Chin

05:18 PM

(407g) Unraveling Temperature-Dependent Free-Energy Landscapes and Surface Dynamics in Methane Activation on Ni(511) Via Machine Learning and Enhanced Sampling
Yezhi Jin, Yinan Xu, Jireh García Sánchez, Gustavo Perez Lemus, Pablo Zubieta, Massimiliano Delferro, Juan J. de Pablo

05:36 PM

(584al) DFT and Microkinetic Study of the Mechanism of Propene Metathesis on MoOx/SiO2 and MoOx/(AlOy-SiO2) Catalysts
Joseph Thompson, Eli Ream, Israel Wachs, Srinivas Rangarajan