2024 AIChE Annual Meeting

Session: Poster Session: Catalysis and Reaction Engineering (CRE) Division

This is the Poster Session of CRE Division. All papers reporting experimental and/or computational results in catalysis and reaction engineering are invited. An award is given annually to the best paper in each of the catalysis and reaction engineering areas (see the CRE web site for details).

Chair

Co-Chairs

Thomas Schwartz, University of Maine
Marcella Lusardi, California Institute of Technology

Presentations

(569dw) Active Sites of the Oxygen Reduction Reaction on Stepped Pt(111) Surfaces
Zhenhua Zeng
(569ga) Porous Bimetallic Mesocrystals within Carbon Framework as high-performance bifunctional catalyst
Hiesang Song
(569ct) Mechanistic Investigation into Dendrite Growth on Zinc Batteries
Anshuman Goswami, Johannes Voss, Alan C. Luntz, Frank Abild-Pedersen
(569bh) Prediction of Relative SN2 Rate Coefficients in Different Solvents
Jonathan Zheng, Sayandeep Biswas, Kariana Moreno-Sader, Thomas Nevolianis, William Green
(569r) Design and Operating Principles for High-Performing Anion Exchange Membrane Water Electrolyzers
Andrew W. Tricker, Jason K. Lee, Adam Z. Weber, Xiong Peng
(569av) Discrete Homogeneous Catalyst Optimization Using an Autonomous Self-Driving Flow Reactor
Jeffrey Bennett, Milad Abolhasani
(569ah) High Throughput Screening of High Entropy Alloy Catalysts for Oxygen Reduction Reaction through Atomic-Interactive Graph Attention Network
Eun Seong Yoo, Hyung Chul Ham
(569em) Engineering MPC-Assisted Heterojunctional Photo-Oxidation Tailored By Interfacial Design of a P-Modulated C3N4 Heterojunction for Improved Aerobic Alcohol Oxidation
Basem Al Alwan, Imran Khan, Atef El Jery, Salman Khan, Muhammad Shayan
(569et) Reactor Scale Modeling for Cell-Free Conversion of Cellulosic Glucose to Terpenes
Yudong Li, Jessie Troxler, Joseph Samaniuk, Hari Sitaraman, Yannick Bomble
(569bp) Experimental Study of Hydrogen Production from Hydrogen Sulfide through DES-Assisted Sulfur-Iodine Thermochemical Cycle
Andres Felipe Cardenas, Carolina Arias Gallego, Shashank Sakleshpur Nagaraja, Manuel Monge Palacios, Adrian Cavazos Sepulveda, S. Mani Sarathy
(569fh) Breaking Frontiers in Selective Electroreduction of CO2 to Ethylene Under Controlled Catalyst Regeneration
Nitin Minocha, Iman Najafipour, Meenesh Singh
(569q) Influence of Zeolite Framework on the NOx Operating Cycle in Passive NOx Adsorbers
Marvi Kaushik, Tuhin Suvra Khan, M. Ali Haider, Divesh Bhatia
(569a) In-Situ Restructuring of MOF Photocatalyst for CO2 Reduction
Abdelaziz Gouda, Karen Hannouche, Geoffrey A. Ozin, Mohini Sain, Mohamad Hmadeh
(569ch) Exploring the Influence of Mixed Metal Oxide Supports in Platinum-Based Catalysts for Enhanced Methylcyclohexane Dehydrogenation
Azadeh Mehrani, Kaveh Shariati, Thossaporn Onsree, Patrick Holcombe, Jochen Lauterbach
(569o) Exploring the Promotional Impact of Nb and Mo on Vanadium-Based Catalysts for the Reduction of NOx with NH3
Dong Wook Kwon
(569ax) Reactive Active Learning for Catalytic Discoveries: Methane Coupling on Titanium Carbide
Siddarth Achar, Priyanka Bholanath Shukla, Chinmay Mhatre, Caitlyn Vinger, Leonardo Bernasconi, Karl Johnson
(569ev) Validation of Complex Low-Density Polyethylene Chemistry in a Plant-Scale CFD Reactor Model
Elijah Yoder, Wayne Strasser
(569b) Composite Photocatalyst Design through Supramolecular Assembly
Kushaan Bahl, Marcella Lusardi
(569bj) Computer-Aided Kinetic Model Development for Liquid-Phase Processes: Unraveling the Oxidation of Cyclohexane
Kevin De Ras, Gust Popelier, Lander Nelis, Robin Vercauteren, Connor Huntwork, Unni Kurumbail, Joris W. Thybaut, Ive Hermans, Kevin Van Geem
(569w) Theoretical Insights for Designing Stable Low-Iridium Oxygen Evolution Catalysts
Chase Sellers, Chang Qiu, Haotian Wang, Thomas Senftle
(569by) Electrocatalytic Reduction of CO2 Using CTAB Modified Copper Molybdate Nanomaterial
Amar Nath Samanta, Guruprasad Bhattacharya
(569au) Integrated CO2 Capture and Reverse Water Gas Shift Using NH3 As a H2 Carrier
Seongbin Jo, Jin Hyeok Woo, Jae Chang Kim, Soo Chool Lee, Kandis Leslie Gilliard-Abdulaziz
(569cs) Oxygen Vacancies Alter Methanol Oxidation Pathways on NiOOH
Quy Nguyen, Bin Wang
(569ao) Computational Identification of New Ethylene Oxide Reaction Pathways
Sarah Stratton, Shengjie Zhang, Matthew Montemore
(569bc) Fabrication of Catalytic Condensers with High-? Dielectric Materials for Programmable Catalysis
Jaeheon Kim, Kyung-Ryul Oh, Justin Hopkins, Jesse Canavan, Amber Walton, Tzia Ming Onn, Paul J. Dauenhauer
(569f) Oxidative Dehydrogenation of Propane over Boron-Zeolites with Tailored Active Site Speciation
Chenfeng Huang, Jeffrey Rimer
(569dd) Liquid Metals As Robust Catalytic and Non-Catalytic Reaction Media for Ethane Dehydrogenation
Aime Laurent Twizerimana, Aaditya Hari Bharanidharan, Kaylen Ocampo, Mohammad Masnadi, Goetz Veser
(569ea) Identification of Catalytic Nickel Nitride Structures for Plasma-Assisted Ammonia Synthesis
Yiteng Zheng, Zihan Lin, Christopher Kondratowicz, Bruce E. Koel
(569ex) A Comparative Study of Parameters Estimation of Ammonia Synthesis Reaction Rates over Co/Ba/MgO Catalyst
Mostafa Elshafie, Tomoyuki Yajima, Shoichi Tsuda, Katsutoshi Sato, Koji Inazu, Katsutoshi Nagaoka, Yoshiaki Kawajiri
(569ce) Non-Oxidative Direct Conversion of Methane: Improved Reactivity through Linkage with Dehydroaromatization on Mo/HZSM-5
Jinju Lee, Youn-Sang Bae, Yong Tae Kim
(569dc) Exploring Single Atom Alloy Catalysts for Enhanced Methane Activation to C2+ Products: Insights from Computational Modeling
Manish Kumar Kothakonda, Sarah LaCroix, Qing Zhao
(569fr) Effect of Citric Acid Addition on Co/Al2O3 Catalysts for Ammonia Decomposition
Sujin Kim, Yongju Yun
(569l) Confined Base Catalysis on Amine-Functionalized Zeolites Prepared Via Direct Synthesis
Illya Lyadov, Marcella Lusardi
(569cn) Non-Destructive Routes to Increased Active Site Accessibility in Zeolite Y
Omio Rani Das, Anya Zornes, Jeffery L. White
(569y) Scalable Manufacturing of Inorganic Nanoparticles Using a High Temperature Jet Mixing Reactor
Priya Jana, Faiz Khan, Pinaki Ranadive, Nicholas Brunelli, Jessica Winter
(569dq) Modeling of Gas-Liquid Absorption with an Irreversible (M,N) Order Reaction in Film and Bulk in the Presence of Gas Film Resistance and Criteria for Regime Identification
Damaraju Phaneswararao
(569fc) Multiple Chemical Looping Reforming (CLR) Reactors for Blue Hydrogen and Nitrogen Production
Adrian Irhamna, George Bollas
(569af) Preparation and Characterization of Fe3O4/Natural Sulfonated Zeolite As Catalysts in the Esterification Reaction of Glycerol to Triacetin
Dewi Rahmawati, Didik Krisdiyanto
(569eg) A DFT Study of CO2 and H2 Adsorption on Doped and Undoped in2O3 Catalysts for CO2 Hydrogenation to Methanol
Ozgen Yalcin, Isik Onal
(569ba) Exploring the Role of Process Control and Catalyst Design in Methane Catalytic Decomposition: A Machine Learning Perspective
Yuming Wen, Sibudjing Kawi, Chi-Hwa Wang
(569el) Revealing Transition Metal Cocatalyst Effect on Single Crystalline BiVO4 for Photoelectrochemical Water Splitting
Zhaoyi Xi, Chenyu Zhou, Ruoshui Li, Fang Lu, Xiao Tong, Kim Kisslinger, Mingzhao Liu
(569eb) Tunable Reactivity: Achieving Enhanced Catalytic Turnover with Surface Coverage Modulation
Fatou Baka Diop, Cameron Armstrong, Geoffrey Tompsett, Andrew Teixeira
(569u) Solvent-Induced Active Site Mobilization and Local Electric Field Effects in Lewis Acid-Containing Zeolites
Kelsey Levine, Sugandha Verma, Asanka Wijerathne, Christopher Paolucci
(569as) Systematic Theoretical Screening of Metal-Ions@Ti-MOF for Catalytic Solar-Driven CO2reduction
Guillaume Maurin
(569bq) Design and Optimization of an Upscaled Photocatalytic System for Continuous Hydrogen Production Using Solar and LED Light Sources
Suhde Makki, Konstantinos Kakosimos, Ahmed Abbas
(569aq) Enhancing Zeolite Catalyst Performance By Novel Secondary Growth and Post-Treatment Methods
Kumari Shilpa, Sambita Choudhury, Jeffrey Rimer
(569ft) Role of Interfacial Sites during Steam Methane Reforming over Supported Nickel Catalysts
Meghana Sucharita Idamakanti, Praveen Bollini, Ram Ratnakar
(569eq) Exploring Dynamics in Single Atom Catalyst Research: A Comprehensive DFT-Kmc Study of Nitrogen Reduction Reaction with Focus on TM Aggregation
Chi-Ho Lee, Silabrata Pahari, Joseph Kwon
(569dv) Coverage and Facet Dependent Multiscale Modeling of O* and H* Adsorption on Pt and Ptw Catalytic Nanoparticles
Ayodeji Omoniyi, Alyssa Hensley
(569ei) Site-Averaged Polymerization Rates for the Phillips Catalyst: Silanol-Geometry Effects on Grafting Probabilities and Site-Specific Turnover Frequencies
Changhae Andrew Kim, Baron Peters