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

Schwartz, T., University of Maine
Lusardi, M., California Institute of Technology

Presentations

(569dw) Active Sites of the Oxygen Reduction Reaction on Stepped Pt(111) Surfaces
Zeng, Z.
(569ga) Porous Bimetallic Mesocrystals within Carbon Framework as high-performance bifunctional catalyst
Song, H.
(569ct) Mechanistic Investigation into Dendrite Growth on Zinc Batteries
Goswami, A., Voss, J., Luntz, A. C., Abild-Pedersen, F.
(569bh) Prediction of Relative SN2 Rate Coefficients in Different Solvents
Zheng, J., Biswas, S., Moreno-Sader, K., Nevolianis, T., Green, W.
(569r) Design and Operating Principles for High-Performing Anion Exchange Membrane Water Electrolyzers
Tricker, A. W., Lee, J. K., Weber, A. Z., Peng, X.
(569av) Discrete Homogeneous Catalyst Optimization Using an Autonomous Self-Driving Flow Reactor
Bennett, J., Abolhasani, M.
(569ah) High Throughput Screening of High Entropy Alloy Catalysts for Oxygen Reduction Reaction through Atomic-Interactive Graph Attention Network
Yoo, E. S., Ham, H. C.
(569em) Engineering MPC-Assisted Heterojunctional Photo-Oxidation Tailored By Interfacial Design of a P-Modulated C3N4 Heterojunction for Improved Aerobic Alcohol Oxidation
Al Alwan, B., Khan, I., El Jery, A., Khan, S., Shayan, M.
(569et) Reactor Scale Modeling for Cell-Free Conversion of Cellulosic Glucose to Terpenes
Li, Y., Troxler, J., Samaniuk, J., Sitaraman, H., Bomble, Y.
(569bp) Experimental Study of Hydrogen Production from Hydrogen Sulfide through DES-Assisted Sulfur-Iodine Thermochemical Cycle
Cardenas, A. F., Arias Gallego, C., Sakleshpur Nagaraja, S., Monge Palacios, M., Cavazos Sepulveda, A., Sarathy, S. M.
(569fh) Breaking Frontiers in Selective Electroreduction of CO2 to Ethylene Under Controlled Catalyst Regeneration
Minocha, N., Najafipour, I., Singh, M.
(569q) Influence of Zeolite Framework on the NOx Operating Cycle in Passive NOx Adsorbers
Kaushik, M., Khan, T. S., Haider, M. A., Bhatia, D.
(569a) In-Situ Restructuring of MOF Photocatalyst for CO2 Reduction
Gouda, A., Hannouche, K., Ozin, G. A., Sain, M., Hmadeh, M.
(569ch) Exploring the Influence of Mixed Metal Oxide Supports in Platinum-Based Catalysts for Enhanced Methylcyclohexane Dehydrogenation
Mehrani, A., Shariati, K., Onsree, T., Holcombe, P., Lauterbach, J.
(569o) Exploring the Promotional Impact of Nb and Mo on Vanadium-Based Catalysts for the Reduction of NOx with NH3
Kwon, D. W.
(569ax) Reactive Active Learning for Catalytic Discoveries: Methane Coupling on Titanium Carbide
Achar, S., Shukla, P. B., Mhatre, C., Vinger, C., Bernasconi, L., Johnson, K.
(569ev) Validation of Complex Low-Density Polyethylene Chemistry in a Plant-Scale CFD Reactor Model
Yoder, E., Strasser, W.
(569b) Composite Photocatalyst Design through Supramolecular Assembly
Bahl, K., Lusardi, M.
(569bj) Computer-Aided Kinetic Model Development for Liquid-Phase Processes: Unraveling the Oxidation of Cyclohexane
De Ras, K., Popelier, G., Nelis, L., Vercauteren, R., Huntwork, C., Kurumbail, U., Thybaut, J. W., Hermans, I., Van Geem, K.
(569w) Theoretical Insights for Designing Stable Low-Iridium Oxygen Evolution Catalysts
Sellers, C., Qiu, C., Wang, H., Senftle, T.
(569by) Electrocatalytic Reduction of CO2 Using CTAB Modified Copper Molybdate Nanomaterial
Samanta, A. N., Bhattacharya, G.
(569au) Integrated CO2 Capture and Reverse Water Gas Shift Using NH3 As a H2 Carrier
Jo, S., Woo, J. H., Kim, J. C., Lee, S. C., Gilliard-Abdulaziz, K. L.
(569cs) Oxygen Vacancies Alter Methanol Oxidation Pathways on NiOOH
Nguyen, Q., Wang, B.
(569ao) Computational Identification of New Ethylene Oxide Reaction Pathways
Stratton, S., Zhang, S., Montemore, M.
(569bc) Fabrication of Catalytic Condensers with High-? Dielectric Materials for Programmable Catalysis
Kim, J., Oh, K. R., Hopkins, J., Canavan, J., Walton, A., Onn, T. M., Dauenhauer, P. J.
(569f) Oxidative Dehydrogenation of Propane over Boron-Zeolites with Tailored Active Site Speciation
Huang, C., Rimer, J.
(569dd) Liquid Metals As Robust Catalytic and Non-Catalytic Reaction Media for Ethane Dehydrogenation
Twizerimana, A. L., Bharanidharan, A. H., Ocampo, K., Masnadi, M., Veser, G.
(569ea) Identification of Catalytic Nickel Nitride Structures for Plasma-Assisted Ammonia Synthesis
Zheng, Y., Lin, Z., Kondratowicz, C., Koel, B. E.
(569ex) A Comparative Study of Parameters Estimation of Ammonia Synthesis Reaction Rates over Co/Ba/MgO Catalyst
Elshafie, M., Yajima, T., Tsuda, S., Sato, K., Inazu, K., Nagaoka, K., Kawajiri, Y.
(569ce) Non-Oxidative Direct Conversion of Methane: Improved Reactivity through Linkage with Dehydroaromatization on Mo/HZSM-5
Lee, J., Bae, Y. S., Kim, Y. T.
(569dc) Exploring Single Atom Alloy Catalysts for Enhanced Methane Activation to C2+ Products: Insights from Computational Modeling
Kothakonda, M. K., LaCroix, S., Zhao, Q.
(569fr) Effect of Citric Acid Addition on Co/Al2O3 Catalysts for Ammonia Decomposition
Kim, S., Yun, Y.
(569l) Confined Base Catalysis on Amine-Functionalized Zeolites Prepared Via Direct Synthesis
Lyadov, I., Lusardi, M.
(569cn) Non-Destructive Routes to Increased Active Site Accessibility in Zeolite Y
Das, O. R., Zornes, A., White, J. L.
(569y) Scalable Manufacturing of Inorganic Nanoparticles Using a High Temperature Jet Mixing Reactor
Jana, P., Khan, F., Ranadive, P., Brunelli, N., Winter, J.
(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
Phaneswararao, D.
(569fc) Multiple Chemical Looping Reforming (CLR) Reactors for Blue Hydrogen and Nitrogen Production
Irhamna, A., Bollas, G.
(569af) Preparation and Characterization of Fe3O4/Natural Sulfonated Zeolite As Catalysts in the Esterification Reaction of Glycerol to Triacetin
Rahmawati, D., Krisdiyanto, D.
(569eg) A DFT Study of CO2 and H2 Adsorption on Doped and Undoped in2O3 Catalysts for CO2 Hydrogenation to Methanol
Yalcin, O., Onal, I.
(569ba) Exploring the Role of Process Control and Catalyst Design in Methane Catalytic Decomposition: A Machine Learning Perspective
Wen, Y., Kawi, S., Wang, C. H.
(569el) Revealing Transition Metal Cocatalyst Effect on Single Crystalline BiVO4 for Photoelectrochemical Water Splitting
Xi, Z., Zhou, C., Li, R., Lu, F., Tong, X., Kisslinger, K., Liu, M.
(569eb) Tunable Reactivity: Achieving Enhanced Catalytic Turnover with Surface Coverage Modulation
Diop, F. B., Armstrong, C., Tompsett, G., Teixeira, A. R.
(569u) Solvent-Induced Active Site Mobilization and Local Electric Field Effects in Lewis Acid-Containing Zeolites
Levine, K., Verma, S., Wijerathne, A., Paolucci, C.
(569as) Systematic Theoretical Screening of Metal-Ions@Ti-MOF for Catalytic Solar-Driven CO2reduction
Maurin, G.
(569bq) Design and Optimization of an Upscaled Photocatalytic System for Continuous Hydrogen Production Using Solar and LED Light Sources
Makki, S., Kakosimos, K. E., Abbas, A.
(569aq) Enhancing Zeolite Catalyst Performance By Novel Secondary Growth and Post-Treatment Methods
Shilpa, K., Choudhury, S., Rimer, J.
(569ft) Role of Interfacial Sites during Steam Methane Reforming over Supported Nickel Catalysts
Idamakanti, M. S., Bollini, P., Ratnakar, R.
(569eq) Exploring Dynamics in Single Atom Catalyst Research: A Comprehensive DFT-Kmc Study of Nitrogen Reduction Reaction with Focus on TM Aggregation
Lee, C. H., Pahari, S., Kwon, J.
(569dv) Coverage and Facet Dependent Multiscale Modeling of O* and H* Adsorption on Pt and Ptw Catalytic Nanoparticles
Omoniyi, A., Hensley, A.
(569ei) Site-Averaged Polymerization Rates for the Phillips Catalyst: Silanol-Geometry Effects on Grafting Probabilities and Site-Specific Turnover Frequencies
Kim, C. A., Peters, B.