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

Noh, G., 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)

03:48 PM

(6b) The Effect of Dynamic Nature of Water on the Hydrogenation Pathway

04:06 PM

(6c) Predictive Multiscale Modeling of Liquid-Phase Alkene Epoxidation catalyzed By Titanium-Substituted Zeolites

04:24 PM

(6d) Insight into the Origins of Different Catalytic Activity Observed in Hydrophilic Versus Hydrophobic Zeolite

04:42 PM

(6e) Microkinetic Modeling Guided CO Electroreduction to Acetate in Multiphase System

05:00 PM

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

05:18 PM

(6g) The Mechanisms of •OH-Driven Aromatic Ring Fragmentation Using Ultrasound and Opportunities for Selective Formation of Dialdehydes.

05:36 PM

(6h) Alkali Cation Spatial Distribution at Electrocatalytic Interfaces By Molecular Simulations