2024 AIChE Annual Meeting

Session: Catalysis and Reaction Engineering in Liquid and Multiphase Systems I: Computational Studies

This session welcomes contributions dealing with catalysis and reaction engineering in liquid and multiphase systems.

Chair

Gina Noh, University of California, Berkeley

Co-Chair

Presentations

03:30 PM

(6a) Modeling the Effect of Electrolyte Composition on the Aqueous-Phase Adsorption of Phenol, Catechol, and Benzene on Ag(111)
Ankit Mathanker, Bolton Tran, Bryan Goldsmith

03:48 PM

(6b) The Effect of Dynamic Nature of Water on the Hydrogenation Pathway
Thi Thuy Tien Le, Shoutian Sun, Bin Wang

04:06 PM

(6c) Predictive Multiscale Modeling of Liquid-Phase Alkene Epoxidation catalyzed By Titanium-Substituted Zeolites
Neil Tran, Ohsung Kwon, David Flaherty, Alexander Mironenko

04:24 PM

(6d) Insight into the Origins of Different Catalytic Activity Observed in Hydrophilic Versus Hydrophobic Zeolite
Xiuting Chen, Rachel Getman

04:42 PM

(6e) Microkinetic Modeling Guided CO Electroreduction to Acetate in Multiphase System
Yuting Xu, Fanglin Che

05:00 PM

(6f) Understanding the Solvent Effects of the Carbonyl Group Hydrogenation over a Pt(111) Catalyst in the Presence of Water
Paratee Komen, Andreas Heyden

05:18 PM

(6g) The Mechanisms of •OH-Driven Aromatic Ring Fragmentation Using Ultrasound and Opportunities for Selective Formation of Dialdehydes.
Ari Fischer, Teseer Bahry, Zhangyue Xie, Roberto Batista Da Silva Junior, James Kwan, Francois Jerome, Sabine Valange, Wen Liu, Prince N. Amaniampong, Tej Choksi

05:36 PM

(6h) Alkali Cation Spatial Distribution at Electrocatalytic Interfaces By Molecular Simulations
Hoang Tran, Michael J. Janik, Scott T. Milner