Molecular views on mechanisms of Brønsted acid-catalyzed reactions in zeolites
C Chizallet, C Bouchy, K Larmier… - Chemical …, 2023 - ACS Publications
The Brønsted acidity of proton-exchanged zeolites has historically led to the most impactful
applications of these materials in heterogeneous catalysis, mainly in the fields of …
applications of these materials in heterogeneous catalysis, mainly in the fields of …
A comprehensive review on zeolite chemistry for catalytic conversion of biomass/waste into green fuels
Numerous attempts have been made to produce new materials and technology for
renewable energy and environmental improvements in response to global sustainable …
renewable energy and environmental improvements in response to global sustainable …
Engineering zeolites for catalytic cracking to light olefins
Propene is a key building block for the petrochemical industry whose demand is increasing
strongly in recent years, even faster than that of ethene. The availability of propene is limited …
strongly in recent years, even faster than that of ethene. The availability of propene is limited …
Mechanism and Kinetics of Propane Dehydrogenation and Cracking over Ga/H-MFI Prepared via Vapor-Phase Exchange of H-MFI with GaCl3
NM Phadke, E Mansoor, M Bondil… - Journal of the …, 2018 - ACS Publications
In this study, the mechanism and kinetics of C3H8 dehydrogenation and cracking are
examined over Ga/H-MFI catalysts prepared via vapor-phase exchange of H-MFI with …
examined over Ga/H-MFI catalysts prepared via vapor-phase exchange of H-MFI with …
Effect of interactions between alkyl chains and solvent structures on lewis acid catalyzed epoxidations
Solvent molecules within zeolite pores provide interactions that influence the stability of
reactive intermediates and impact rates and selectivities for catalytic reactions. We show the …
reactive intermediates and impact rates and selectivities for catalytic reactions. We show the …
Computational modeling of the nature and role of Ga species for light alkane dehydrogenation catalyzed by Ga/H-MFI
E Mansoor, M Head-Gordon, AT Bell - ACS Catalysis, 2018 - ACS Publications
Ga-exchanged H-MFI zeolites are highly active for the dehydrogenation of light alkanes;
however, both the nature of the active gallium species and the associated dehydrogenation …
however, both the nature of the active gallium species and the associated dehydrogenation …
Mechanism and kinetics of light alkane dehydrogenation and cracking over isolated Ga species in Ga/H-MFI
NM Phadke, E Mansoor, M Head-Gordon, AT Bell - ACS Catalysis, 2021 - ACS Publications
The objective of this study is to examine the mechanisms and kinetics of C2H6
dehydrogenation and n-C4H10 dehydrogenation and cracking over isolated Ga species in …
dehydrogenation and n-C4H10 dehydrogenation and cracking over isolated Ga species in …
Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane
The effects of zeolite structure on the kinetics of n-butane monomolecular cracking and
dehydrogenation are investigated for eight zeolites differing in the topology of channels and …
dehydrogenation are investigated for eight zeolites differing in the topology of channels and …
Simultaneous modeling of the kinetics for n-pentane cracking and the deactivation of a HZSM-5 based catalyst
A kinetic model for the catalytic cracking of n-pentane over a HZSM-5 zeolite (Si/Al= 15)
based catalyst has been proposed. In this model, the kinetic scheme of reactions is based …
based catalyst has been proposed. In this model, the kinetic scheme of reactions is based …
Molecular Dynamics with Chemical Accuracy─ Alkane Adsorption in Acidic Zeolites
For the adsorption of methane to hexane on acidic zeolites with varying pore sizes (Socony
Mobil-5 (MFI), chabazite (CHA), faujasite (FAU)) and Brønsted acid site concentrations …
Mobil-5 (MFI), chabazite (CHA), faujasite (FAU)) and Brønsted acid site concentrations …