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

(509bm) Tunable Catalytic Performance of Palladium Nanoparticles for H2O2 Direct Synthesis Via Surface-Bound Ligands
Lucas Freitas De Lima E Freitas, Begoña Puértolas, Jing Zhang, Adam Hoffman, Simon Bare, Javier Pérez-Ramírez, James Medlin, Eranda Nikolla
(509ay) Explaining Size-Dependent Activity Trends and Identifying the Active Facet of Pt and Rh Nanoparticles for Hydrogenation of Phenol
Isaiah Barth, James Akinola, Jonathan Lee, Oliver Gutiérrez-Tinoco, Udishnu Sanyal, Nirala Singh, Bryan Goldsmith
(509cj) Effect of Reactant Identity and Acid-Site Strength on Acid-Catalyzed Aldol Reactions
Shubham Malviya, Peng Bai, Friederike Jentoft
(509u) CO2 Hydrogenation to Ethanol over Pd/Bi2O3 Catalysts: The Synergistic Effect of Pd Particle Size and Surface Oxygen Vacancy
Yang Xiao, Arvind Varma
(509dc) High Throughput Surface Stability Analysis of Alloy Catalysts Using Density Functional Theory and Machine Learning
Pushkar Ghanekar, Gaurav Deshmukh, Jeffrey Greeley
(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
(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
(509av) Enhanced Activity and Stability of MgO-Promoted Ni/Al2O3 Catalyst for Dry Reforming of Methane
Baitang Jin, Shiguang Li, Xinhua Liang
(509cv) Catalytic Resonance Theory: Negatively Correlated Linear Scaling Relationships for Overcoming the Sabatier Limit
Sallye Gathmann, M. Alexander Ardagh, Paul J. Dauenhauer
(509dm) Rapid Fabrication of Atomically Dispersed Fe on Porous Carbon Via Photothermal Process for Nitrogen Reduction
Hsin-Jung Yu
(509dg) Computer-Aided Prediction of Enzymatic Reactions
Esther Heid, Samuel Goldman, Karthik Sankaranarayanan, Connor Coley, Klavs F. Jensen, Christoph Flamm, William Green
(717a) Crystalline Mixed Metal Oxides for COx-Free Hydrogen Production By Direct Catalytic Decomposition of Methane
Hannah Harbin, Sheima Khatib, Jordan Chenault, Dominick Casadonte
(509b) Sustainable Sulfonated Carbons as Esterification Catalysts for the Production of Biochemicals
Sarada Sripada, James Kastner
(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
(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
(509ct) An Automated Workflow to Rapidly and Accurately Generate Transition State Structures Using Machine Learning
Lagnajit Pattanaik, Xiaorui Dong, Kevin Spiekermann, William Green
(509al) Effects of Molecular Properties on Adsorption Energies of Anionic Adsorbates on Platinum
Mohammad Hasibul Hasan, Ian McCrum
(509o) Kinetic Analysis of 3D-Printed Dual Functional Monoliths in Combined CO2 Capture-Ethane Dehydrogenation to Ethylene
Khaled Baamran, Fateme Rezaei, Ali Rownaghi
(509bg) Molybdenum Oxide Supported Catalysts for Aldol Condensation
Mathew Rasmussen, Sean Najmi, Giada Innocenti, Simon Bare, Andrew Medford, James Medlin, Carsten Sievers
(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
(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
(509dh) Predicting Segregation Energy in Single Atom Alloys Using Physics and Machine Learning
Maya Salem, Michael Cowan, Giannis Mpourmpakis
(509cw) Development of sustainable polyurethanes and polyesters from biomass-derived diols by aldol-condensation and controlled hydrogenation
Hochan Chang, George Huber, James A. Dumesic
(509c) Identification of Known and Novel Monomers for Poly(hydroxyurethanes) from Biobased Materials
Linda Broadbelt, Guanhua Wang, Matthew W. Coile, Lauren Lopez, John Torkelson, Yixuan Chen
(509bb) On the Evolution of Ceria Surfaces Towards Catalyzing Non-Oxidative Alkanol Dehydrogenation - a Transient Kinetic Analysis
Sadia Afrin, Praveen Bollini
(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
(509ai) First-Principles Analysis of Coverage, Ensemble, and Solvation Effects on Selectivity Trends in NO Electroreduction on Pt3Sn Alloys
Siddharth Deshpande, Jeffrey Greeley
(509cp) First-Principles Calculations to Data-Driven Discovery and Materials Design of Mxene Electrocatalysts
Luke Johnson, Brandon Burghardt, Yamilée Morency, Aleksandra Vojvodic
(509bn) Nanostructured TiO2 Cavitation Nuclei for Catalytic Degradation of Methylene Blue with Pulsed Ultrasound
James J. Kwan, Umesh Jonnalagadda, Xiaoqian Su
(509aw) Site Requirements and Kinetics of Ethane Oxidative Dehydrogenation over Bulk NiO Based Catalysts
Xiaohui Zhao, Qianyu Ning, Lars Grabow, Jeffrey Rimer, Praveen Bollini