2023 AIChE Annual Meeting

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

Chair

Co-Chairs

Thomas Schwartz, University of Maine
Marcella Lusardi, California Institute of Technology

Presentations

03:30 PM

(521ed) Towards Predicting Metal Dynamics, Surface, and Segregation Energies in High Entropy Alloys for Sintering and Catalyst Durability
Shyam Deo, Frank Abild-Pedersen
(680e) 12-Tricosanone Production from Lauric Acid for the Synthesis of Cellulosic Base Oils
Tejas Goculdas, Dionisios Vlachos, Sunitha Sadula, Basudeb Saha, Arvind Nanduri, Marianthi Ierapetritou, Zhifei Yuliu, Weiqing Zheng
(521dk) Computational and Experimental Characterization of the Ligand Environment of a Ni-Oxo Catalyst Supported in the Metal?Organic Framework Nu-1000
Stephen Vicchio, Zhihengyu Chen, Karena Chapman, Rachel Getman
(521k) Non-Enzymatic, Resonance-Promoted Bio-Renewable Polymer Production Under Mild Conditions.
Shayan Hosseini, Theodore Walker
(521bb) Experimental and Theoretical Investigation on Surface Microenvironment Engineered Novel Black Vanadia Towards Visible Light Photodegradation
Ahmed Badreldin, Ahmed Abdel-Wahab
(521ae) Development of High-Efficiency Catalysts for Light Olefin Production through CO2 Hydrogenation over Fe-Based Catalysts
Haewon Jung, Hermawan Prajitno, Jeongtak Kim, Soon Kwan Jeong, Ki Bong Lee, Sun-mi Hwang, Sun-A Choi
(521aj) Thermodynamic and Electronic Properties of MoSi2N4 Edges
Atharva Burte, Ashwin Ramasubramaniam, Omar Abdelrahman
(521m) Molecular Design of Polymer-Modified Catalyst Supports for Improved Bio-Renewable Energy Processes: Theory, Synthesis and Experiments
David Moses, Theodore Walker
(521ax) Reaction Pathways for the Electrochemical Oxidation of Cyclohexane to KA Oil
Tana Siboonruang, Maureen Tang
(521dx) Exploring Activity Descriptors in Electrocatalysis of Transition Metal-Oxides Using Computational Tools
Neha Bothra, Michal Bajdich, Kirsten Winther, Benjamin Comer, Frank Abild-Pedersen
(521cs) Effect of Condensed Solvent and Its Organization on Vapor-Phase Alkene Epoxidation with H2O2 over Ti-Zeolites
Ohsung Kwon, E. Zeynep Ayla, David Potts, David Flaherty
(521aq) Bifunctional Fe/Co 2D Metal Organic Framework for Enhanced ORR and Oer Activity
Pabitra Choudhury, Naomi Helsel
(521au) Excellent Anion Exchange Membrane Electrolyser with Highly Active Oxygen Evolution Reaction Nife-LDH Self-Support Electrode
Yingjie Feng, Xiaoyue Fu, Yuxiu He, Yue Zhou, Yan Wang, Qingrui Zhao, Jing Feng, Dongbing Liu, Jie Bai, Fan Li, Junfeng Zhang
(521dv) Reaction Calorimetry for Adsorption Thermodynamics in Zeolite
Omar Abdelrahman, Ajibola Lawal
(521cc) Enhancing Mass Transport Properties and Catalyst Performance of Low-Dimensional Zeolites
Kumari Shilpa, Jeffrey D. Rimer, Sambita Choudhury
(521di) Modulation of 0D-2D Hybrids for Improved Efficiency of Pt on Ultra-Thin TiO2 Support
Prahlad Kumar Routh, Nikhil Tiwale
(521ct) Kinetic Analysis of Acetone Hydrogenation over Ptsn/SiO2
Yaqin Tang, Robson Schuarca, Wenlin He, Jesse Bond
(521h) Stability of Zeolite Y in Aqueous Media: Framework Degradation Under Ambient Temperature and Pressure
Anya Zornes, Omio Das, Jeffery White
(521bv) Coke-Resistant Single Atom Catalyst for C?H Bond Activation of Methane
Naomi Helsel, Keeniya-Gamalage-Gehan De Silva, Sanchari Chowdhury, Pabitra Choudhury
(521cv) Microreactors Enabling Safe Ozonolysis Processes with High Space-Time Yields
Christopher Hone, Dominik Polterauer, C. Oliver Kappe, Dominique M. Roberge, Paul Hanselmann, Petteri Elsner
(521bo) Exploiting Properties of Mxenes to Maximize the Metal-Support Interactions (MSI) of Dry Reforming Catalysts
Joshua Ighalo, Ahmed Al Mayyahi, Haider Almkhelfe, Placidus B. Amama
(521cg) Reaction Mechanism and Kinetics of Methanol Carbonylation on Atomically Dispersed ReOx/SiO2 from First Principles
Nghia Tran, Alexander V. Mironenko
(521dy) Developing Predictive Adsorption Energy Descriptors for Unary and Binary Transition Metals By Tailoring Feature Sets for Machine Learning
Genesis Quiles-Galarza, Aleksandra Vojvodic
(521eo) Programmable Catalytic Ammonia Synthesis and Its Optimization
Arjun Manoj, Anastasia Georgiou, Georgios Psarellis, Mihalis Kavousanakis, Paul J. Dauenhauer, Ioannis G. Kevrekidis
(521bq) Process-Level Objectives for Reactor Design and Their Application to the Optimization of Adiabatic Multi-Zone Reactors for Oxidative Coupling of Methane
Murtaza Ali Khan, Mamoun Al-Rawashdeh, Patrick Linke
(521bw) Application of Silicalite-1 Zeolite Support in Propane Dehydrogenation
Yingjie Feng, Yue Zhou, Jing Feng, Dongbing Liu, Xiaoyue Fu
(521ei) Wall Effects on Pressure Drop through Randomly Packed Beds of Spherical Catalyst Particles
Anthony Dixon
(521e) Biochar Catalyst Screening for Enhancing Energy Recovery from Pyrolysis
Zhongzhe Liu
(521cd) Enhanced Propylene Yield in Olefin Metathesis over Molybdenum and Transition Metal Based Bimetallic Mesoporous Silicates
Anoop Uchagawkar, Anand Ramanathan, Yongfeng Hu, Bala Subramaniam
(521g) Selective Hydrogenation of Phenol in Aqueous Phase over Organically Modified Silica Support: Effect of Basic Site Incorporation
Snehal Patil, Anagha Hunoor, Paul Edmiston, Umit Ozkan
(521dr) Elucidating the Fluxionality and Dynamics of Zeolite-Confined Au Nanoclusters Using Machine Learning Potentials
Ambarish Kulkarni, Chenghan Sun, Siddharth Sonti, Surl-Hee Ahn
(521q) Computer Aided Molecular Design Coupled to Deep Learning Techniques As a Less-Expensive Approach to Design Organic Photoredox Catalysts
Alan Aguirre-Soto, Antonio Flores-Tlacuahuac
(521dc) Surface Restricted Combustion Synthesis of Ni-Co/SiO2 Catalysts for Methane Dry Reforming Reaction
Afdhal Yuda, Mohd Ali H Saleh Saad, Anand Kumar
(521s) Structure - Activity Relationship of Ni-Ru/?-Al2O3 Catalyst for CO2 Methanation Reaction.
Sairam S, Yacham Ashok, Jithin John Varghese, Tarak Patra, Preeti Aghalayam
(521cn) A Comprehensive Characterization of Catalytic Active Sites in Sodium-Modified Zirconia
Zhexi Lin, Han Chen, Sai Praneet Batchu, Mengjie Fan, Stavros Caratzoulas, Jingguang G. Chen, Dionisios Vlachos, Raymond Gorte, John Vohs, Omar Abdelrahman
(521bp) Tandem Catalytic CO2-Assisted Propane Dehydrogenation and Propylene Hydroformylation for Production of Butanal
Pin Lim, Marcos Millan
(521bf) Efficient Hydrogen Production Via Surface Reconstruction on Nickel-Molybdenum Electrocatalyst: A DFT Study
Byungchan Han, Hye Bin Yun
(521at) Controllable Photocatalytic Molecular Oxygen Oxidation Based on Sulfur-Containing Photosensitizers in Continuous Flow
Qingwei Meng, Jingnan Zhao
(521ea) Streamlining Semiautonomous Workflows through Deep Learning for Materials Discovery in the Oxygen Evolution Reaction (OER)
Rohan Sanspeur, John Kitchin
(521f) Investigating the Effect of Micropore Content on Catalytic Activity and Selectivity for Glucose Isomerization to Fructose
Paul Neff, Nicholas Brunelli, Nitish Deshpande, Hannah Pineault, Jee-Yee Chen
(521bs) Pd Clusters Encapsulated with a Thin TiOx Layer on Pd-SrTiO3 Enable Low-Temperature Semi-Hydrogenation of Acetylene
Zhengwen Li, Binhang Yan
(521bg) A Deep Dive into Dynamic Catalysis: The Impact of Potential Modulation on Formic Acid Electro-Oxidation Efficiency
Faviola Villariny-Rosado, Omar Abdelrahman
(521df) Synthesis and characterization of Ceria-supported metal (M)/metal oxide (MOx)catalysts by novel one pot-chemical vapor deposition (OP-CVD) method
Amol Pophali, Tae Jin Kim, Ryuichi Shimogawa, Lihua Zhang, Gihan Kwon, Anatoly I. Frenkel
(521cq) Visible Light Mediated Selective Oxidation of Alcohols Catalyzed By Organic Small Molecules in Batch and Flow
Yue Lu, Qingwei Meng
(521aw) Electrochemically Assisted Activation of Light Alkanes at Ambient Conditions
Wenxuan Liu, Qi Lu
(521es) Reversible Oxidation of Copper via Chemical Interaction with Carbon Dioxide Investigated by Ambient Pressure X-ray Photoelectron Spectroscopy
Haoyi Li, Asmita Jana, Angel T. Garcia-Esparza, Dr. Dimosthenis Sokaras, Junko Yano, Ethan Crumlin
(521ah) Electrode Design Parameters Optimization of NCM622 Cathode in Lithium-Ion Battery for High Energythe Electrode Design
Mohammed Atwair, Chul-Jin Lee, Ali Cherif
(521ba) High-Resolution Kinetic Analysis of Photocatalytic Water Splitting for Hydrogen Production Using Covalent Organic Framework Catalyst and Ascorbic Acid
Konstantinos Kakosimos, Shohda Makki, Ahmed Abbas
(521en) Repurposing Existing Steam Reformers for COX-Free Hydrogen Generation through Catalytic Ammonia Decomposition
Natalia Realpe, Gontzal Lezcano, Shekhar Kulkarni, Salvador Sayas, Natalia Morlanes, Jose Cerillo, Sai P. Katikaneni, Mohammad Abdur Rakib, Rosemary Clark, Samuel Clark, Jorge Gascon, Pedro Castaño, Bandar Solami, Ragad F. Aldilaijan
(521et) Computational Fluid Dynamics Modeling of Industrial Scale Direct Reduced Iron Reforming Process
Sirisha Parvathaneni, Marcelo Andrade