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

(509u) CO2 Hydrogenation to Ethanol over Pd/Bi2O3 Catalysts: The Synergistic Effect of Pd Particle Size and Surface Oxygen Vacancy
Yang Xiao, Arvind Varma
(509au) Microwave Enhanced Decomposition of Methane over Iron to Carbon Nanotubes and Hydrogen
Troy Christiansen
(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
(509cp) First-Principles Calculations to Data-Driven Discovery and Materials Design of Mxene Electrocatalysts
Luke Johnson, Brandon Burghardt, Yamilée Morency, Aleksandra Vojvodic
(509bs) Investigation of Synergistic Interfaces in Metal-Metal Oxide Inverted Systems for Catalytic Upgrading
Laura Paz Herrera, Lucas Freitas De Lima E Freitas, Eranda Nikolla, James Medlin
(509o) Kinetic Analysis of 3D-Printed Dual Functional Monoliths in Combined CO2 Capture-Ethane Dehydrogenation to Ethylene
Khaled Baamran, Fateme Rezaei, Ali Rownaghi
(509bo) The Operating Cycle of NO Adsorption and Desorption in Pd-Chabazite for Passive NOx Adsorbers
Marvi Kaushik, Gourav Shrivastav, Tuhin Suvra Khan, M. Ali Haider, Divesh Bhatia
(509dm) Rapid Fabrication of Atomically Dispersed Fe on Porous Carbon Via Photothermal Process for Nitrogen Reduction
Hsin-Jung Yu
(509cn) Integrating Nanostraws in Porous Catalyst Supports to Enhance Molecular Transport to Catalytic Sites
Azeem Farinmade, Yang Su, Oluwole Ajumobi, Lei Yu, Jibao He, Julia A. Valla, Vijay T. John
(509dc) High Throughput Surface Stability Analysis of Alloy Catalysts Using Density Functional Theory and Machine Learning
Pushkar Ghanekar, Gaurav Deshmukh, Jeffrey Greeley
(190e) Origin of Selective Production of Hydrogen Peroxide By Electrochemical Oxygen Reduction
Yuanyue Liu
(509br) Au Based Ni and Co Bimetallic Core-Shell Nanocatalysts for Room Temperature Selective Decomposition of Hydrous Hydrazine to Hydrogen
Dr. PREETI Jain
(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
(509cc) Mesoporous Iron Gallate Nanocomplex for Adsorption and Degradation of Organic Dyes
Anita Yadav, Anu Sharma, Rakesh Kumar Sharma
(509w) Self-Assembled Monolayers for Electrocatalysis: A Theoretical Study of CO2 Reduction Reaction to CO over Ag
Zhengyang Yang, Fanglin Che, Zhiyong Gu
(509t) Synthesis of Symmetrical Urea Derivatives from CO2 and Amines over Copper-Based Core-Shell Catalysts
James McGregor, Cihad Karacam
(509ca) Influencing Selectivity of Ni Reverse Water Gas Shift Catalysts Using Atomic Layer Deposition
Megan English, Kent J. Warren, Alan Weimer
(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
(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
(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
(509cr) Neural Networks Learn Fundamental Adsorption Energy Scaling Relations
Brook Wander, Zachary Ulissi
(509cw) Development of sustainable polyurethanes and polyesters from biomass-derived diols by aldol-condensation and controlled hydrogenation
Hochan Chang, George Huber, James A. Dumesic
(509al) Effects of Molecular Properties on Adsorption Energies of Anionic Adsorbates on Platinum
Mohammad Hasibul Hasan, Ian McCrum
(509dl) Fundamental Study of the Relationship between Catalytic Performance and Pretreatment for NO Reduction By CO Reaction over CeO2 supported NiOx Catalyst
Kyung-Min Lee, Tae Jin Kim, Gihan Kwon
(717a) Crystalline Mixed Metal Oxides for COx-Free Hydrogen Production By Direct Catalytic Decomposition of Methane
Hannah Harbin, Sheima Khatib, Jordan Chenault, Dominick Casadonte
(509df) Graph Neural Networks to Predict Thermochemistry of Halogenated Hydrocarbons for Use in Combustion Modeling: New Data, Methods, and a Cautionary Tale.
David Farina, Sai Krishna Sirumalla, Richard H. West
(509cj) Effect of Reactant Identity and Acid-Site Strength on Acid-Catalyzed Aldol Reactions
Shubham Malviya, Peng Bai, Friederike Jentoft
(509cw) Accelerating Ammonia Electrooxidation Catalyst Discovery through Interpretable Machine Learning
Hemanth Pillai, Shih-Han Wang, Hongliang Xin, Luke E. K. Achenie
(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
(509cf) Development of Methods for Consistently Tuning Silica-Encapsulated Gold Core-Shell Nanoparticle Morphology
Steven Saunders, Ellis Hammond-Pereira
(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
(509at) Designing Electro-Catalysts for the Oxygen Evolution Reaction: A Prisoner of Adsorbate Scaling Relations
Abhinav Sankara Raman, Colin Lehman, Aleksandra Vojvodic
(509de) High Throughput Screening of Bio-Inspired Mo/W Catalysts
Mingjie Liu, Azadeh Nazemi, Heather Kulik
(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
(509as) Characterizing Electrochemical Systems By Volterra Kernel Analysis of Response to Small-Amplitude Oscillatory Voltage Inputs
Aditya Limaye, Adam P. Willard, Karthish Manthiram
(509aa) Understanding the Interactions between Bubble Dynamics and Electrochemical Energy Losses in Flow Electrolyzers
Andrea Angulo Figueira, Miguel Modestino
(509da) Nuclearity As a Descriptor for Site and Surface Selection
Zachary Ulissi, Unnatti Sharma, Michael Janik, Angela Nguyen
(509cq) Rational Catalyst Design through Computational Catalysis
G. T. Kasun Kalhara Gunasooriya
(509ar) Surface Proton Dynamics on BaZrO3: Implications for High Temperature Solid Electrolytes in Electrocatalysis
Colin Lehman, Aleksandra Vojvodic
(509bu) Design and Characterization of Washcoated Catalytic Microreactors for Dynamic Operation
Cameron Armstrong, Andrew Teixeira
(509ba) Role of Metal Speciation on Product Selectivity in the Partial Oxidation of Methane over Trimetal Oxo Clusters in Metal-Organic Framework MIL-100
Jacklyn Hall, Praveen Bollini
(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
(509ci) Autothermal Reactor Design and Development for the Oxidative Dehydrogenation of Ethane
Jiakang Chen, Praveen Bollini, Vemuri Balakotaiah
(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
(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
(509cs) Combining Uncertainty Metrics to Control Neural Network Error and Accelerate Chemical Exploration
Eric Musa, Bryan Goldsmith, Frank Doherty, Cameron Gruich
(509bn) Nanostructured TiO2 Cavitation Nuclei for Catalytic Degradation of Methylene Blue with Pulsed Ultrasound
James J. Kwan, Umesh Jonnalagadda, Xiaoqian Su
(509d) Optimization of Reaction Conditions in the Epoxidation and Hydroxylation of High-Oleic Palm Oil
Wilson Felipe Bohorquez Malaver, Alvaro Orjuela, Paulo Narvaez, Juan Cadavid, Jesus Garcia
(509bb) On the Evolution of Ceria Surfaces Towards Catalyzing Non-Oxidative Alkanol Dehydrogenation - a Transient Kinetic Analysis
Sadia Afrin, Praveen Bollini
(509dh) Predicting Segregation Energy in Single Atom Alloys Using Physics and Machine Learning
Maya Salem, Michael Cowan, Giannis Mpourmpakis