2023 AIChE Annual Meeting

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

Chair

Co-Chairs

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

Presentations

03:30 PM

(521ed) Towards Predicting Metal Dynamics, Surface, and Segregation Energies in High Entropy Alloys for Sintering and Catalyst Durability
Deo, S., Abild-Pedersen, F.
(680e) 12-Tricosanone Production from Lauric Acid for the Synthesis of Cellulosic Base Oils
Goculdas, T., Vlachos, D., Sadula, S., Saha, B., Nanduri, A., Ierapetritou, M., Yuliu, Z., Zheng, W.
(521dk) Computational and Experimental Characterization of the Ligand Environment of a Ni-Oxo Catalyst Supported in the Metal?Organic Framework Nu-1000
Vicchio, S., Chen, Z., Chapman, K., Getman, R.
(521k) Non-Enzymatic, Resonance-Promoted Bio-Renewable Polymer Production Under Mild Conditions.
Hosseini, S., Walker, T.
(521bb) Experimental and Theoretical Investigation on Surface Microenvironment Engineered Novel Black Vanadia Towards Visible Light Photodegradation
Badreldin, A., Abdel-Wahab, A.
(521ae) Development of High-Efficiency Catalysts for Light Olefin Production through CO2 Hydrogenation over Fe-Based Catalysts
Jung, H., Prajitno, H., Kim, J., Jeong, S. K., Lee, K. B., Hwang, S. M., Choi, S. A.
(521aj) Thermodynamic and Electronic Properties of MoSi2N4 Edges
Burte, A., Ramasubramaniam, A., Abdelrahman, O.
(521m) Molecular Design of Polymer-Modified Catalyst Supports for Improved Bio-Renewable Energy Processes: Theory, Synthesis and Experiments
Moses, D., Walker, T.
(521ax) Reaction Pathways for the Electrochemical Oxidation of Cyclohexane to KA Oil
Siboonruang, T., Tang, M.
(521dx) Exploring Activity Descriptors in Electrocatalysis of Transition Metal-Oxides Using Computational Tools
Bothra, N., Bajdich, M., Winther, K., Comer, B., Abild-Pedersen, F.
(521cs) Effect of Condensed Solvent and Its Organization on Vapor-Phase Alkene Epoxidation with H2O2 over Ti-Zeolites
Kwon, O., Ayla, E. Z., Potts, D., Flaherty, D.
(521aq) Bifunctional Fe/Co 2D Metal Organic Framework for Enhanced ORR and Oer Activity
Choudhury, P., Helsel, N.
(521au) Excellent Anion Exchange Membrane Electrolyser with Highly Active Oxygen Evolution Reaction Nife-LDH Self-Support Electrode
Feng, Y., Fu, X., He, Y., Zhou, Y., Wang, Y., Zhao, Q., Feng, J., Liu, D., Bai, J., Li, F., Zhang, J.
(521dv) Reaction Calorimetry for Adsorption Thermodynamics in Zeolite
Abdelrahman, O., Lawal, A.
(521cc) Enhancing Mass Transport Properties and Catalyst Performance of Low-Dimensional Zeolites
Shilpa, K., Rimer, J. D., Choudhury, S.
(521di) Modulation of 0D-2D Hybrids for Improved Efficiency of Pt on Ultra-Thin TiO2 Support
Routh, P. K., Tiwale, N.
(521ct) Kinetic Analysis of Acetone Hydrogenation over Ptsn/SiO2
Tang, Y., Schuarca, R., He, W., Bond, J.
(521h) Stability of Zeolite Y in Aqueous Media: Framework Degradation Under Ambient Temperature and Pressure
Zornes, A., Das, O., White, J.
(521bv) Coke-Resistant Single Atom Catalyst for C?H Bond Activation of Methane
Helsel, N., De Silva, K. G. G., Chowdhury, S., Choudhury, P.
(521cv) Microreactors Enabling Safe Ozonolysis Processes with High Space-Time Yields
Hone, C., Polterauer, D., Kappe, C. O., Roberge, D. M., Hanselmann, P., Elsner, P.
(521bo) Exploiting Properties of Mxenes to Maximize the Metal-Support Interactions (MSI) of Dry Reforming Catalysts
Ighalo, J., Al Mayyahi, A., Almkhelfe, H., Amama, P. B.
(521cg) Reaction Mechanism and Kinetics of Methanol Carbonylation on Atomically Dispersed ReOx/SiO2 from First Principles
Tran, N., Mironenko, A. V.
(521dy) Developing Predictive Adsorption Energy Descriptors for Unary and Binary Transition Metals By Tailoring Feature Sets for Machine Learning
Quiles-Galarza, G., Vojvodic, A.
(521eo) Programmable Catalytic Ammonia Synthesis and Its Optimization
Manoj, A., Georgiou, A., Psarellis, G., Kavousanakis, M., Dauenhauer, P. J., Kevrekidis, I. G.
(521bq) Process-Level Objectives for Reactor Design and Their Application to the Optimization of Adiabatic Multi-Zone Reactors for Oxidative Coupling of Methane
Khan, M. A., Al-Rawashdeh, M., Linke, P.
(521bw) Application of Silicalite-1 Zeolite Support in Propane Dehydrogenation
Feng, Y., Zhou, Y., Feng, J., Liu, D., Fu, X.
(521ei) Wall Effects on Pressure Drop through Randomly Packed Beds of Spherical Catalyst Particles
Dixon, A.
(521e) Biochar Catalyst Screening for Enhancing Energy Recovery from Pyrolysis
Liu, Z.
(521cd) Enhanced Propylene Yield in Olefin Metathesis over Molybdenum and Transition Metal Based Bimetallic Mesoporous Silicates
Uchagawkar, A., Ramanathan, A., Hu, Y., Subramaniam, B.
(521g) Selective Hydrogenation of Phenol in Aqueous Phase over Organically Modified Silica Support: Effect of Basic Site Incorporation
Patil, S., Hunoor, A., Edmiston, P., Ozkan, U.
(521dr) Elucidating the Fluxionality and Dynamics of Zeolite-Confined Au Nanoclusters Using Machine Learning Potentials
Kulkarni, A., Sun, C., Sonti, S., Ahn, S. H.
(521q) Computer Aided Molecular Design Coupled to Deep Learning Techniques As a Less-Expensive Approach to Design Organic Photoredox Catalysts
Aguirre-Soto, A., Flores-Tlacuahuac, A.
(521dc) Surface Restricted Combustion Synthesis of Ni-Co/SiO2 Catalysts for Methane Dry Reforming Reaction
Yuda, A., Saad, M. A. H. S., Kumar, A.
(521s) Structure - Activity Relationship of Ni-Ru/?-Al2O3 Catalyst for CO2 Methanation Reaction.
S, S., Ashok, Y., Varghese, J. J., Patra, T., Aghalayam, P.
(521cn) A Comprehensive Characterization of Catalytic Active Sites in Sodium-Modified Zirconia
Lin, Z., Chen, H., Batchu, S. P., Fan, M., Caratzoulas, S., Chen, J. G., Vlachos, D., Gorte, R., Vohs, J., Abdelrahman, O.
(521bp) Tandem Catalytic CO2-Assisted Propane Dehydrogenation and Propylene Hydroformylation for Production of Butanal
Lim, P., Millan, M.
(521bf) Efficient Hydrogen Production Via Surface Reconstruction on Nickel-Molybdenum Electrocatalyst: A DFT Study
Han, B., Yun, H. B.
(521at) Controllable Photocatalytic Molecular Oxygen Oxidation Based on Sulfur-Containing Photosensitizers in Continuous Flow
Meng, Q., Zhao, J.
(521ea) Streamlining Semiautonomous Workflows through Deep Learning for Materials Discovery in the Oxygen Evolution Reaction (OER)
Sanspeur, R., Kitchin, J.
(521f) Investigating the Effect of Micropore Content on Catalytic Activity and Selectivity for Glucose Isomerization to Fructose
Neff, P., Brunelli, N., Deshpande, N., Pineault, H., Chen, J. Y.
(521bs) Pd Clusters Encapsulated with a Thin TiOx Layer on Pd-SrTiO3 Enable Low-Temperature Semi-Hydrogenation of Acetylene
Li, Z., Yan, B.
(521bg) A Deep Dive into Dynamic Catalysis: The Impact of Potential Modulation on Formic Acid Electro-Oxidation Efficiency
Villariny-Rosado, F., Abdelrahman, O.
(521df) Synthesis and characterization of Ceria-supported metal (M)/metal oxide (MOx)catalysts by novel one pot-chemical vapor deposition (OP-CVD) method
Pophali, A., Kim, T. J., Shimogawa, R., Zhang, L., Kwon, G., Frenkel, A. I.
(521cq) Visible Light Mediated Selective Oxidation of Alcohols Catalyzed By Organic Small Molecules in Batch and Flow
Lu, Y., Meng, Q.
(521aw) Electrochemically Assisted Activation of Light Alkanes at Ambient Conditions
Liu, W., Lu, Q.
(521es) Reversible Oxidation of Copper via Chemical Interaction with Carbon Dioxide Investigated by Ambient Pressure X-ray Photoelectron Spectroscopy
Li, H., Jana, A., Garcia-Esparza, A. T., Sokaras, D. D., Yano, J., Crumlin, E.
(521ah) Electrode Design Parameters Optimization of NCM622 Cathode in Lithium-Ion Battery for High Energythe Electrode Design
Atwair, M., Lee, C. J., Cherif, A.
(521ba) High-Resolution Kinetic Analysis of Photocatalytic Water Splitting for Hydrogen Production Using Covalent Organic Framework Catalyst and Ascorbic Acid
Kakosimos, K., Makki, S., Abbas, A.
(521en) Repurposing Existing Steam Reformers for COX-Free Hydrogen Generation through Catalytic Ammonia Decomposition
Realpe, N., Lezcano, G., Kulkarni, S., Sayas, S., Morlanes, N., Cerillo, J., Katikaneni, S. P., Rakib, M. A., Clark, R., Clark, S., Gascon, J., Castaño, P., Solami, B., Aldilaijan, R. F.
(521et) Computational Fluid Dynamics Modeling of Industrial Scale Direct Reduced Iron Reforming Process
Parvathaneni, S., Andrade, M.