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Mykela Deluca
Mykela Deluca
Post Doctoral Fellow, Purdue University
Verified email at purdue.edu
Title
Cited by
Cited by
Year
Mechanism and Kinetics of Methylating C6–C12 Methylbenzenes with Methanol and Dimethyl Ether in H-MFI Zeolites
M DeLuca, P Kravchenko, A Hoffman, D Hibbitts
ACS Catalysis 9 (7), 6444-6460, 2019
542019
Contrasting arene, alkene, diene, and formaldehyde hydrogenation in H-ZSM-5, H-SSZ-13, and H-SAPO-34 frameworks during MTO
M DeLuca, C Janes, D Hibbitts
ACS Catalysis 10 (8), 4593-4607, 2020
432020
Restructuring of MFI framework zeolite models and their associated artifacts in density functional theory calculations
A Hoffman, M DeLuca, D Hibbitts
The Journal of Physical Chemistry C 123 (11), 6572-6585, 2019
302019
Comparing alkene-mediated and formaldehyde-mediated diene formation routes in methanol-to-olefins catalysis in MFI and CHA
L Kilburn, M DeLuca, AJ Hoffman, S Patel, D Hibbitts
Journal of Catalysis 400, 124-139, 2021
142021
Predicting diffusion barriers and diffusivities of C6–C12 methylbenzenes in MFI zeolites
M DeLuca, D Hibbitts
Microporous and Mesoporous Materials 333, 111705, 2022
72022
Mechanisms and Kinetics of the Dehydrogenation of C6–C8 Cycloalkanes, Cycloalkenes, and Cyclodienes to Aromatics in H-MFI Zeolite Framework
H Montalvo-Castro, M DeLuca, L Kilburn, D Hibbitts
ACS Catalysis 13 (1), 99-112, 2022
52022
Prediction of C6–C12 Interconversion Rates Using DFT and Zeolite-specific kinetic Monte Carlo Simulation Methods
M DeLuca, D Hibbitts
42019
Mechanisms of Alkene and Diene Hydrogenation Reactions in H-MFI and H-CHA Zeolite Frameworks During MTO
M DeLuca, C Janes, D Hibbitts
32019
Effects of zeolite framework topology on Cu (I) oxidation and Cu (II) reduction kinetics of NOx selective catalytic reduction with NH3
M DeLuca, CB Jones, SH Krishna, A Goswami, R Saxena, S Li, S Prasad, ...
Chem Catalysis 3 (9), 2023
22023
Understanding and Mitigating Deactivation during Methanol-to-Olefin Reactions in CHA and MFI Framework Zeolites
M Deluca, S Patel, L Kilburn, D Hibbitts
2019 North American Catalysis Society Meeting, 2019
12019
Investigating Cyclization and Dehydrogenation Routes Toward the Conversion of Aromatic Compounds during Methanol-to-Olefins in MFI Framework Zeolites
H Montalvo-Castro, L Kilburn, M DeLuca, D Hibbitts
2022 AIChE Annual Meeting, 2022
2022
Influence of Zeolite Topology on Cu Ion Mobility and CuI/CuII Redox Kinetics during Low-Temperature NOx Selective Catalytic Reduction
C Jones, M DeLuca, S Krishna, A Goswami, S Li, JJ Sarcis, S Prasad, ...
The 27th North American Catalysis Society Meeting, 2022
2022
Combining DFT and Kinetic Monte Carlo Simulations to Model Reactions and Transport in MFI Zeolites over Large Time and Length Scales
M DeLuca, D Hibbitts
2021 AIChE Annual Meeting, 2021
2021
Unraveling Complex Reaction Networks Combining DFT and Zeolite-Specific Kinetic Monte Carlo Simulations
M DeLuca, H Montalvo-Castro, D Hibbitts
2021 AIChE Annual Meeting, 2021
2021
Understanding the Influence of Chain Length, Branching, and Void Environment on the Stability of Surface-Bound Alkyl Intermediates in Zeolites Using DFT
L Kilburn, M DeLuca, D Hibbitts
2021 AIChE Annual Meeting, 2021
2021
Unraveling Mechanisms of Methanol-to-Olefin Chemistry
M DeLuca
University of Florida, 2021
2021
Contrasting Diene Formation Pathways with Methyls and Larger Alkyls during Methanol-to-Olefin Reactions in MFI and CHA Using DFT
L Kilburn, M DeLuca, D Hibbitts
2020 Virtual AIChE Annual Meeting, 2020
2020
Mechanisms of Diene and Formaldehyde Formation and Their Selective Elimination By H2 to Elongate Catalyst Lifetimes during Methanol-to-Olefins Reactions
M DeLuca, L Kilburn, D Hibbitts
2020 Virtual AIChE Annual Meeting, 2020
2020
Analysis of Kinetic and Diffusive Restraints on Methylbenzene Interconversion Pathways during MTO Using DFT and Kinetic Monte Carlo Simulations
M DeLuca, D Hibbitts
2019 AIChE Annual Meeting, 2019
2019
Reaction mechanisms and transport effects of methanol-to-olefin (MTO) processes examined by DFT and novel KMC software for zeolites
M DeLuca, P Kravchenko, D Hibbitts
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019
2019
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