2021 Annual Meeting

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

Chair

Mallikarjun Sharada, S., University of Southern California

Co-Chairs

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

Presentations

03:30 PM

(509cy) Chemically-Informed Data-Driven Optimization (ChIDDO): Leveraging Physical Models and Bayesian Learning to Accelerate Chemical Research
Frey, D., Shang, X., Shin, J. H., Modestino, M.
(509cs) Combining Uncertainty Metrics to Control Neural Network Error and Accelerate Chemical Exploration
Musa, E., Goldsmith, B., Doherty, F., Gruich, C.
(509au) Microwave Enhanced Decomposition of Methane over Iron to Carbon Nanotubes and Hydrogen
Christiansen, T.
(509r) Tungsten Carbides As Active Catalysts for CO2 Hydrogenation
Juneau, M. B., Porosoff, M.
(509bc) Blending Rule for Predicting the Sooting Tendencies of Gasoline Mixtures from the Individual Components
Xiang, Z., Kwon, H., Pfefferle, L. D., Xuan, Y., Zhu, J., McEnally, C.
(190e) Origin of Selective Production of Hydrogen Peroxide By Electrochemical Oxygen Reduction
Liu, Y.
(509cz) Deconvoluting XPS Spectra in Lanthanum-Based Perovskites: An Analysis from First Principles
Whitten, A., Nikolla, E., McEwen, J. S., Tezel, E., Guo, D., Soltani, M., Denecke, R.
(509an) First Principles Modeling of FeNx Clusters and Defects in Aqueous Acidic Media: Tying Structure to Site Stability and Activity for the Oxygen Reduction Reaction
Morankar, A., Greeley, J., Deshpande, S., Zeng, Z., Atanassov, P.
(509bu) Design and Characterization of Washcoated Catalytic Microreactors for Dynamic Operation
Armstrong, C., Teixeira, A. R.
(509a) Design Rationales for an Optimal Oxide/Metal Interface Catalyst for Hydrodeoxygenation Chemistry of Biomass Derivatives
Deo, S., Janik, M., Weikel, K.
(509ci) Autothermal Reactor Design and Development for the Oxidative Dehydrogenation of Ethane
Chen, J., Bollini, P., Balakotaiah, V.
(509bx) Magnesium- PAP Metal Organic Framework Based Photoswitcher for the Degradation of Chlorpyrifos
Yadav, A., Sharma, A., Kumar Sharma, R., Kumar Sharma, S.
(509ar) Surface Proton Dynamics on BaZrO3: Implications for High Temperature Solid Electrolytes in Electrocatalysis
Lehman, C., Vojvodic, A.
(509cq) Rational Catalyst Design through Computational Catalysis
Gunasooriya, G. T. K. K.
(509s) Enhanced Stability of Fe-Modified CuO-ZnO-ZrO2-Al2O3/HZSM-5 Bifunctional Catalysts for Dimethyl Ether Synthesis Via CO2 Hydrogenation
Fan, X., Ren, S., Jin, B., Li, S., Yu, M., Liang, X.
(509by) Molten Salt Synthesis of (Ni,Mg)O Mixed Oxides: Designing New Methods to Control Crystal Morphology
Susman, M. D., Pham, H. N., Zhao, X., Cheula, R., West, D., Chinta, S., Maestri, M., Bollini, P., Datye, A. K., Rimer, J.
(509af) Electrochemical Charge Transport in Ionic Liquids for CO2 Conversion to Peroxydicarbonate Anion Using Superoxide Ion
Halilu, A., Kheireddine Aroua, M., Hayyan, M., Yusoff, R., F. Hizaddin, H.
(509da) Nuclearity As a Descriptor for Site and Surface Selection
Ulissi, Z., Sharma, U., Janik, M., Nguyen, A.
(509ae) Decorating Copper Nanostructures with Atomic Palladium and Silver Species to Regulate Product Selectivity in CO2 Electroreduction
Chhetri, M., Yeager, J., Sandor, C., Yang, M., Jin, Z.
(509db) Developing Linear Free Energy Relationships for Transition Metal Chemistry
Lan, Z., Mallikarjun Sharada, S.
(509aa) Understanding the Interactions between Bubble Dynamics and Electrochemical Energy Losses in Flow Electrolyzers
Angulo Figueira, A., Modestino, M.
(509ac) Probing the Dynamic Surface Reconstruction in Non-Stoichiometric Mixed Metal Oxides during Electrochemical Oxygen Evolution
Camayang, J. C. A., Samira, S., Hong, J., Hoffman, A., Nikolla, E., Bare, S.
(509y) Electrochemical Co-Reduction of CO2 and Nitrates into Urea on Cu-Co Bimetallic Gas Diffusion Electrodes (GDE)
Chidambara Kani, N. B., Singh, M., Prajapati, A.
(509bt) Quantifying the Effect of Surface Density of Aminosilanes on the Fraction of Active Sites in SBA-15 for the Aldol Condensation
Chen, J. Y., Brunelli, N.
(509as) Characterizing Electrochemical Systems By Volterra Kernel Analysis of Response to Small-Amplitude Oscillatory Voltage Inputs
Limaye, A., Willard, A. P., Manthiram, K.
(509v) Molten-Salt Mediated CO2 Capture and Utilization for Ethane Oxidative Dehydrogenation with Super-Equilibrium CO2 Conversion
Liu, J., Gao, Y., Wang, X., Li, F.
(509ca) Influencing Selectivity of Ni Reverse Water Gas Shift Catalysts Using Atomic Layer Deposition
English, M., Warren, K. J., Weimer, A.
(509ap) Electrocatalytic Reduction of Nitrobenzene By Iron-Salen Ligand Complexes
Miller, J., Perdue, B., Wong, A., Janik, M.
(509ad) Highly Boosted Reaction Kinetics in Carbon Dioxide Electroreduction By Surface?Introduced Electronegative Dopants
Zheng, W., Hou, Y.
(509cl) Tuning the Activity of Benzyl Alcohol Hydrodeoxygenation Using Organic Ligands
Blanchette, Z., Schwartz, D. K., Medlin, J.
(509co) Effect of Water on Cumene Dealkylation over ZSM-5 Zeolites
Crossley, S., Chau, H., Gumidyala, A.
(509de) High Throughput Screening of Bio-Inspired Mo/W Catalysts
Liu, M., Nazemi, A., Kulik, H.
(509t) Synthesis of Symmetrical Urea Derivatives from CO2 and Amines over Copper-Based Core-Shell Catalysts
McGregor, J., Karacam, C.
(509bw) Supercritical Fluids As Reaction Media for Scalable Production of Carbon Nanomaterials and Their Applications
Almkhelfe, H.
(509at) Designing Electro-Catalysts for the Oxygen Evolution Reaction: A Prisoner of Adsorbate Scaling Relations
Sankara Raman, A., Lehman, C., Vojvodic, A.
(509w) Self-Assembled Monolayers for Electrocatalysis: A Theoretical Study of CO2 Reduction Reaction to CO over Ag
Yang, Z., Che, F., Gu, Z.
(509bd) Shell Thickness Optimization for Silicalite-1 Encapsulated Ni/Mg Catalysts for Hydrocarbon Reforming: A Modeling Study
Gray, B., Kuhn, J., Joseph, B.
(509cx) Grand Canonical Monte Carlo Simulation Methods for Understanding Coke-Resistance Under Dehydrogenation Conditions
Wang, P., Senftle, T.
(509j) Modeling Organic Photoredox Catalyst Reduction Kinetics, Donor-Acceptor Interactions, and Degradation Pathways in CO2 Reduction Catalytic Cycle
Kron, K., Mallikarjun Sharada, S.
(509cr) Neural Networks Learn Fundamental Adsorption Energy Scaling Relations
Wander, B., Ulissi, Z.
(509cc) Mesoporous Iron Gallate Nanocomplex for Adsorption and Degradation of Organic Dyes
Yadav, A., Sharma, A., Kumar Sharma, R.
(509cf) Development of Methods for Consistently Tuning Silica-Encapsulated Gold Core-Shell Nanoparticle Morphology
Saunders, S., Hammond-Pereira, E.
(509f) Synthesis and Evaluation of Mesoporous Carbons (Starbons®) from Colombian Cassava As Catalyst for Fatty Acids Esterification.
Zabala, M., Orjuela, A., Bose, S.
(717d) Low Sooting Tendencies and Structure-Property Relationships of Individual Polyoxymethylene Ethers As Alternative Diesel Fuels
Zhu, J., Chan, F. L., Foust, T. D., Kwon, H., Lucas, S., Pfefferle, L. D., Xuan, Y., Windom, B. C., McEnally, C. S.
(509dj) Interpreting the Optical Absorption Spectra of Gold Nanoclusters By Convolutional Neural Network
Li, J., Chen, T., Cai, P., Ren, Z., Zhu, Y., Xie, J., Wang, X.
(509bl) Sustainable Bromine Generation By Electrochemical Halogen Evolution Using Nitrogen-Doped Carbon Nanostructures
Jain, D., Basu, D., Hightower, J., Co, A., Asthagiri, A., Ozkan, U.
(509bz) Understanding Pd-MO Interfaces in Inverted Catalytic Structures
Freitas De Lima E Freitas, L., Paz Herrera, L., Medlin, J., Nikolla, E.
(509z) Combining Metal Sulfides and Organic Cocatalysts to Overcome the Challenges of Electrochemical CO2 Reduction
Plaisance, C., Khezeli, F., McGovern, M.
(509br) Au Based Ni and Co Bimetallic Core-Shell Nanocatalysts for Room Temperature Selective Decomposition of Hydrous Hydrazine to Hydrogen
Jain, D. P.
(509cw) Accelerating Ammonia Electrooxidation Catalyst Discovery through Interpretable Machine Learning
Pillai, H., Wang, S. H., Xin, H., Achenie, L. E. K.