2023 AIChE Annual Meeting

Session: Multi-Scale Modeling

Chair

Co-Chairs

Salman A. Khan, University of Delaware

Presentations

08:00 AM

(693a) Coupling Microkinetics with Continuum Transport Models to Understand Electrochemical CO2 Reduction in Aqueous Flow Reactors

08:18 AM

(693b) Analyzing the Uncertainty of Linear Scaling, Machine Learning, and DFT Derived Thermodynamics for the Catalytic Partial Oxidation of Methane on Rhodium 111
Christopher Blais, Richard West, Chao Xu

08:36 AM

(693c) Elucidating the Nanoscale Driving Forces for Environment-Driven Rh-Pd Nanoparticle Reconstruction
Shuqiao Wang, Alyssa Hensley

08:54 AM

(693d) Polymer Upcycling By Tandem End-Scission and Random Scission Catalysts: Model and Analysis of Experiments
Ziqiu Chen, Baron Peters

09:12 AM

(693e) Multi-Scale Simulation of Non-Catalytic Gas-Solid Reactions in Counter-Current Moving-Bed Reactors
Anthony Dixon, Patricia Metolina, Roberto Guardani

09:30 AM

(693f) Stability and Reactivity of Encapsulated Monomeric and Dimeric Pt Clusters in Chabazite Framework
Sanjana Srinivas, Stavros Caratzoulas, Dionisios Vlachos

09:48 AM

(693g) Impact of Particle Shape and Orientation on the Intraparticle Physicochemical Phenomena of Catalytic Particles
Stylianos Kyrimis, Robert Raja, Lindsay-Marie Armstrong

10:06 AM

(693h) Effect of Scale-up on Mass Transfer and Flow Patterns in Liquid-Liquid Microchannels Using Experiments and Computations
Arnav Mittal, Matthew Marino, Souryadeep Bhattacharyya, Tai-Ying Chen, Pierre Desir, Dionisios Vlachos, Marianthi Ierapetritou