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

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Poster Session: Catalysis and Reaction Engineering (CRE) Division

Chair(s)

Mallikarjun Sharada, S., University of Southern California

Co-chair(s)

Schwartz, T., University of Maine
Bond, J., Syracuse University

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).

Presentations

3:30 PM
(509dh) Predicting Segregation Energy in Single Atom Alloys Using Physics and Machine Learning
3:30 PM
(509s) Enhanced Stability of Fe-Modified CuO-ZnO-ZrO2-Al2O3/HZSM-5 Bifunctional Catalysts for Dimethyl Ether Synthesis Via CO2 Hydrogenation
3:30 PM
(509f) Synthesis and Evaluation of Mesoporous Carbons (Starbons®) from Colombian Cassava As Catalyst for Fatty Acids Esterification.
3:30 PM
(509aw) Site Requirements and Kinetics of Ethane Oxidative Dehydrogenation over Bulk NiO Based Catalysts
3:30 PM
(509bt) Quantifying the Effect of Surface Density of Aminosilanes on the Fraction of Active Sites in SBA-15 for the Aldol Condensation
3:30 PM
(509dc) High Throughput Surface Stability Analysis of Alloy Catalysts Using Density Functional Theory and Machine Learning
3:30 PM
(509au) Microwave Enhanced Decomposition of Methane over Iron to Carbon Nanotubes and Hydrogen
3:30 PM
(509v) Molten-Salt Mediated CO2 Capture and Utilization for Ethane Oxidative Dehydrogenation with Super-Equilibrium CO2 Conversion
3:30 PM
(509df) Graph Neural Networks to Predict Thermochemistry of Halogenated Hydrocarbons for Use in Combustion Modeling: New Data, Methods, and a Cautionary Tale.
3:30 PM
(509j) Modeling Organic Photoredox Catalyst Reduction Kinetics, Donor-Acceptor Interactions, and Degradation Pathways in CO2 Reduction Catalytic Cycle
3:30 PM
(509dg) Computer-Aided Prediction of Enzymatic Reactions
3:30 PM
(509bc) Blending Rule for Predicting the Sooting Tendencies of Gasoline Mixtures from the Individual Components
3:30 PM
(509cl) Tuning the Activity of Benzyl Alcohol Hydrodeoxygenation Using Organic Ligands
3:30 PM
(509bg) Molybdenum Oxide Supported Catalysts for Aldol Condensation
3:30 PM
(509by) Molten Salt Synthesis of (Ni,Mg)O Mixed Oxides: Designing New Methods to Control Crystal Morphology
3:30 PM
(509dj) Interpreting the Optical Absorption Spectra of Gold Nanoclusters By Convolutional Neural Network
3:30 PM
(509bs) Investigation of Synergistic Interfaces in Metal-Metal Oxide Inverted Systems for Catalytic Upgrading
3:30 PM
(509da) Nuclearity As a Descriptor for Site and Surface Selection
3:30 PM
(509bl) Sustainable Bromine Generation By Electrochemical Halogen Evolution Using Nitrogen-Doped Carbon Nanostructures
3:30 PM
(509ad) Highly Boosted Reaction Kinetics in Carbon Dioxide Electroreduction By Surface?Introduced Electronegative Dopants
3:30 PM
(509d) Optimization of Reaction Conditions in the Epoxidation and Hydroxylation of High-Oleic Palm Oil
3:30 PM
(509db) Developing Linear Free Energy Relationships for Transition Metal Chemistry
3:30 PM
(509bm) Tunable Catalytic Performance of Palladium Nanoparticles for H2O2 Direct Synthesis Via Surface-Bound Ligands
3:30 PM
(509cz) Deconvoluting XPS Spectra in Lanthanum-Based Perovskites: An Analysis from First Principles
3:30 PM
(509t) Synthesis of Symmetrical Urea Derivatives from CO2 and Amines over Copper-Based Core-Shell Catalysts
3:30 PM
(509dm) Rapid Fabrication of Atomically Dispersed Fe on Porous Carbon Via Photothermal Process for Nitrogen Reduction
3:30 PM
(509bu) Design and Characterization of Washcoated Catalytic Microreactors for Dynamic Operation
3:30 PM
(509at) Designing Electro-Catalysts for the Oxygen Evolution Reaction: A Prisoner of Adsorbate Scaling Relations
3:30 PM
(509dl) Fundamental Study of the Relationship between Catalytic Performance and Pretreatment for NO Reduction By CO Reaction over CeO2 supported NiOx Catalyst
3:30 PM
(509z) Combining Metal Sulfides and Organic Cocatalysts to Overcome the Challenges of Electrochemical CO2 Reduction
3:30 PM
(509ba) Role of Metal Speciation on Product Selectivity in the Partial Oxidation of Methane over Trimetal Oxo Clusters in Metal-Organic Framework MIL-100
3:30 PM
(509ci) Autothermal Reactor Design and Development for the Oxidative Dehydrogenation of Ethane
3:30 PM
(509cx) Grand Canonical Monte Carlo Simulation Methods for Understanding Coke-Resistance Under Dehydrogenation Conditions
3:30 PM
(509ai) First-Principles Analysis of Coverage, Ensemble, and Solvation Effects on Selectivity Trends in NO Electroreduction on Pt3Sn Alloys
3:30 PM
(509ac) Probing the Dynamic Surface Reconstruction in Non-Stoichiometric Mixed Metal Oxides during Electrochemical Oxygen Evolution
3:30 PM
(509u) CO2 Hydrogenation to Ethanol over Pd/Bi2O3 Catalysts: The Synergistic Effect of Pd Particle Size and Surface Oxygen Vacancy
3:30 PM
(509cy) Chemically-Informed Data-Driven Optimization (ChIDDO): Leveraging Physical Models and Bayesian Learning to Accelerate Chemical Research
3:30 PM
(509as) Characterizing Electrochemical Systems By Volterra Kernel Analysis of Response to Small-Amplitude Oscillatory Voltage Inputs
3:30 PM
(509cj) Effect of Reactant Identity and Acid-Site Strength on Acid-Catalyzed Aldol Reactions
3:30 PM
(509bw) Supercritical Fluids As Reaction Media for Scalable Production of Carbon Nanomaterials and Their Applications
3:30 PM
(509cv) Catalytic Resonance Theory: Negatively Correlated Linear Scaling Relationships for Overcoming the Sabatier Limit
3:30 PM
(509cs) Combining Uncertainty Metrics to Control Neural Network Error and Accelerate Chemical Exploration
3:30 PM
(509ap) Electrocatalytic Reduction of Nitrobenzene By Iron-Salen Ligand Complexes
3:30 PM
(509b) Sustainable Sulfonated Carbons as Esterification Catalysts for the Production of Biochemicals
3:30 PM
(509bx) Magnesium- PAP Metal Organic Framework Based Photoswitcher for the Degradation of Chlorpyrifos
3:30 PM
(509cc) Mesoporous Iron Gallate Nanocomplex for Adsorption and Degradation of Organic Dyes
3:30 PM
(509o) Kinetic Analysis of 3D-Printed Dual Functional Monoliths in Combined CO2 Capture-Ethane Dehydrogenation to Ethylene
3:30 PM
(509cq) Rational Catalyst Design through Computational Catalysis
3:30 PM
(509cf) Development of Methods for Consistently Tuning Silica-Encapsulated Gold Core-Shell Nanoparticle Morphology
3:30 PM
(509cw) Development of sustainable polyurethanes and polyesters from biomass-derived diols by aldol-condensation and controlled hydrogenation

Pages

Topics 

Catalysis
Catalysts
Chemical Reaction Engineering

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