2021 Annual Meeting

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

Chair

Shaama Mallikarjun Sharada, University of Southern California

Co-Chairs

Thomas Schwartz, University of Maine
Jesse Bond, Syracuse University

Presentations

03:30 PM

(509cy) Chemically-Informed Data-Driven Optimization (ChIDDO): Leveraging Physical Models and Bayesian Learning to Accelerate Chemical Research
Daniel Frey, Xinshu Shang, Ju hee Shin, Miguel Modestino
(509cs) Combining Uncertainty Metrics to Control Neural Network Error and Accelerate Chemical Exploration
Eric Musa, Bryan Goldsmith, Frank Doherty, Cameron Gruich
(509au) Microwave Enhanced Decomposition of Methane over Iron to Carbon Nanotubes and Hydrogen
Troy Christiansen
(509r) Tungsten Carbides As Active Catalysts for CO2 Hydrogenation
Mitchell B. Juneau, Marc Porosoff
(509bc) Blending Rule for Predicting the Sooting Tendencies of Gasoline Mixtures from the Individual Components
Zhanhong Xiang, Hyunguk Kwon, Lisa D. Pfefferle, Yuan Xuan, Junqing Zhu, Charles McEnally
(190e) Origin of Selective Production of Hydrogen Peroxide By Electrochemical Oxygen Reduction
Yuanyue Liu
(509cz) Deconvoluting XPS Spectra in Lanthanum-Based Perovskites: An Analysis from First Principles
Ariel Whitten, Eranda Nikolla, Jean-Sabin McEwen, Elif Tezel, Dezhou Guo, Mahdokht Soltani, Reinhard Denecke
(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
Ankita Morankar, Jeffrey Greeley, Siddharth Deshpande, Zhenhua Zeng, Plamen Atanassov
(509bu) Design and Characterization of Washcoated Catalytic Microreactors for Dynamic Operation
Cameron Armstrong, Andrew Teixeira
(509a) Design Rationales for an Optimal Oxide/Metal Interface Catalyst for Hydrodeoxygenation Chemistry of Biomass Derivatives
Shyam Deo, Michael Janik, Kelly Weikel
(509ci) Autothermal Reactor Design and Development for the Oxidative Dehydrogenation of Ethane
Jiakang Chen, Praveen Bollini, Vemuri Balakotaiah
(509bx) Magnesium- PAP Metal Organic Framework Based Photoswitcher for the Degradation of Chlorpyrifos
Anita Yadav, Anu Sharma, Rakesh Kumar Sharma, Surender Kumar Sharma
(509ar) Surface Proton Dynamics on BaZrO3: Implications for High Temperature Solid Electrolytes in Electrocatalysis
Colin Lehman, Aleksandra Vojvodic
(509cq) Rational Catalyst Design through Computational Catalysis
G. T. Kasun Kalhara Gunasooriya
(509s) Enhanced Stability of Fe-Modified CuO-ZnO-ZrO2-Al2O3/HZSM-5 Bifunctional Catalysts for Dimethyl Ether Synthesis Via CO2 Hydrogenation
Xiao Fan, Shoujie Ren, Baitang Jin, Shiguang Li, Miao Yu, Xinhua Liang
(509by) Molten Salt Synthesis of (Ni,Mg)O Mixed Oxides: Designing New Methods to Control Crystal Morphology
Mariano D. Susman, Hien N. Pham, Xiaohui Zhao, Raffaele Cheula, David West, Sivadinarayana Chinta, Matteo Maestri, Praveen Bollini, Abhaya K. Datye, Jeffrey Rimer
(509af) Electrochemical Charge Transport in Ionic Liquids for CO2 Conversion to Peroxydicarbonate Anion Using Superoxide Ion
Ahmed Halilu, Mohamed Kheireddine Aroua, Maan Hayyan, Rozita Yusoff, Hanee F. Hizaddin
(509da) Nuclearity As a Descriptor for Site and Surface Selection
Zachary Ulissi, Unnatti Sharma, Michael Janik, Angela Nguyen
(509ae) Decorating Copper Nanostructures with Atomic Palladium and Silver Species to Regulate Product Selectivity in CO2 Electroreduction
Manjeet Chhetri, John Yeager, Case Sandor, Ming Yang, Zehua Jin
(509db) Developing Linear Free Energy Relationships for Transition Metal Chemistry
Zhenzhuo Lan, Shaama Mallikarjun Sharada
(509aa) Understanding the Interactions between Bubble Dynamics and Electrochemical Energy Losses in Flow Electrolyzers
Andrea Angulo Figueira, Miguel Modestino
(509ac) Probing the Dynamic Surface Reconstruction in Non-Stoichiometric Mixed Metal Oxides during Electrochemical Oxygen Evolution
John Carl A. Camayang, Samji Samira, Jiyun Hong, Adam Hoffman, Eranda Nikolla, Simon Bare
(509y) Electrochemical Co-Reduction of CO2 and Nitrates into Urea on Cu-Co Bimetallic Gas Diffusion Electrodes (GDE)
Nishithan Balaji Chidambara Kani, Meenesh Singh, Aditya Prajapati
(509bt) Quantifying the Effect of Surface Density of Aminosilanes on the Fraction of Active Sites in SBA-15 for the Aldol Condensation
Jee-Yee Chen, Nicholas Brunelli
(509as) Characterizing Electrochemical Systems By Volterra Kernel Analysis of Response to Small-Amplitude Oscillatory Voltage Inputs
Aditya Limaye, Adam P. Willard, Karthish Manthiram
(509v) Molten-Salt Mediated CO2 Capture and Utilization for Ethane Oxidative Dehydrogenation with Super-Equilibrium CO2 Conversion
Junchen Liu, Yunfei Gao, Xijun Wang, Fanxing Li
(509ca) Influencing Selectivity of Ni Reverse Water Gas Shift Catalysts Using Atomic Layer Deposition
Megan English, Kent J. Warren, Alan Weimer
(509ap) Electrocatalytic Reduction of Nitrobenzene By Iron-Salen Ligand Complexes
Joshua Miller, Brandon Perdue, Andrew Wong, Michael Janik
(509ad) Highly Boosted Reaction Kinetics in Carbon Dioxide Electroreduction By Surface?Introduced Electronegative Dopants
Wanzhen Zheng, Yang Hou
(509cl) Tuning the Activity of Benzyl Alcohol Hydrodeoxygenation Using Organic Ligands
Zachary Blanchette, Daniel K. Schwartz, James Medlin
(509co) Effect of Water on Cumene Dealkylation over ZSM-5 Zeolites
Steven Crossley, Han Chau, Abhishek Gumidyala
(509de) High Throughput Screening of Bio-Inspired Mo/W Catalysts
Mingjie Liu, Azadeh Nazemi, Heather Kulik
(509t) Synthesis of Symmetrical Urea Derivatives from CO2 and Amines over Copper-Based Core-Shell Catalysts
James McGregor, Cihad Karacam
(509bw) Supercritical Fluids As Reaction Media for Scalable Production of Carbon Nanomaterials and Their Applications
Haider Almkhelfe
(509at) Designing Electro-Catalysts for the Oxygen Evolution Reaction: A Prisoner of Adsorbate Scaling Relations
Abhinav Sankara Raman, Colin Lehman, Aleksandra Vojvodic
(509w) Self-Assembled Monolayers for Electrocatalysis: A Theoretical Study of CO2 Reduction Reaction to CO over Ag
Zhengyang Yang, Fanglin Che, Zhiyong Gu
(509bd) Shell Thickness Optimization for Silicalite-1 Encapsulated Ni/Mg Catalysts for Hydrocarbon Reforming: A Modeling Study
Brian Gray, John Kuhn, Babu Joseph
(509cx) Grand Canonical Monte Carlo Simulation Methods for Understanding Coke-Resistance Under Dehydrogenation Conditions
Peng Wang, Thomas Senftle
(509j) Modeling Organic Photoredox Catalyst Reduction Kinetics, Donor-Acceptor Interactions, and Degradation Pathways in CO2 Reduction Catalytic Cycle
Kareesa Kron, Shaama Mallikarjun Sharada
(509cr) Neural Networks Learn Fundamental Adsorption Energy Scaling Relations
Brook Wander, Zachary Ulissi
(509cc) Mesoporous Iron Gallate Nanocomplex for Adsorption and Degradation of Organic Dyes
Anita Yadav, Anu Sharma, Rakesh Kumar Sharma
(509cf) Development of Methods for Consistently Tuning Silica-Encapsulated Gold Core-Shell Nanoparticle Morphology
Steven Saunders, Ellis Hammond-Pereira
(509f) Synthesis and Evaluation of Mesoporous Carbons (Starbons®) from Colombian Cassava As Catalyst for Fatty Acids Esterification.
Milena Zabala, Alvaro Orjuela, Suranjana Bose
(717d) Low Sooting Tendencies and Structure-Property Relationships of Individual Polyoxymethylene Ethers As Alternative Diesel Fuels
Junqing Zhu, Fan Liang Chan, Thomas D. Foust, Hyunguk Kwon, Stephen Lucas, Lisa D. Pfefferle, Yuan Xuan, Bret C. Windom, Charles S. McEnally
(509dj) Interpreting the Optical Absorption Spectra of Gold Nanoclusters By Convolutional Neural Network
Jiali Li, Tiankai Chen, Pengfei Cai, Zekun Ren, Yixin Zhu, Jianping Xie, Xiaonan Wang
(509bl) Sustainable Bromine Generation By Electrochemical Halogen Evolution Using Nitrogen-Doped Carbon Nanostructures
Deeksha Jain, Dishari Basu, Jonathan Hightower, Anne Co, Aravind Asthagiri, Umit Ozkan
(509bz) Understanding Pd-MO Interfaces in Inverted Catalytic Structures
Lucas Freitas De Lima E Freitas, Laura Paz Herrera, James Medlin, Eranda Nikolla
(509z) Combining Metal Sulfides and Organic Cocatalysts to Overcome the Challenges of Electrochemical CO2 Reduction
Craig Plaisance, Foroogh Khezeli, Maggie McGovern
(509br) Au Based Ni and Co Bimetallic Core-Shell Nanocatalysts for Room Temperature Selective Decomposition of Hydrous Hydrazine to Hydrogen
Dr. PREETI Jain
(509cw) Accelerating Ammonia Electrooxidation Catalyst Discovery through Interpretable Machine Learning
Hemanth Pillai, Shih-Han Wang, Hongliang Xin, Luke E. K. Achenie