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 …

A comprehensive review on zeolite chemistry for catalytic conversion of biomass/waste into green fuels

UY Qazi, R Javaid, A Ikhlaq, AH Khoja, F Saleem - Molecules, 2022 - mdpi.com
Numerous attempts have been made to produce new materials and technology for
renewable energy and environmental improvements in response to global sustainable …

Engineering zeolites for catalytic cracking to light olefins

V Blay, B Louis, R Miravalles, T Yokoi… - ACS …, 2017 - ACS Publications
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 …

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 …

Effect of interactions between alkyl chains and solvent structures on lewis acid catalyzed epoxidations

DS Potts, VS Jeyaraj, O Kwon, R Ghosh… - ACS …, 2022 - ACS Publications
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 …

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 …

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 …

Effects of Zeolite Structural Confinement on Adsorption Thermodynamics and Reaction Kinetics for Monomolecular Cracking and Dehydrogenation of n-Butane

A Janda, B Vlaisavljevich, LC Lin, B Smit… - Journal of the American …, 2016 - ACS Publications
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 …

Simultaneous modeling of the kinetics for n-pentane cracking and the deactivation of a HZSM-5 based catalyst

T Cordero-Lanzac, AT Aguayo, AG Gayubo… - Chemical Engineering …, 2018 - Elsevier
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 …

Molecular Dynamics with Chemical Accuracy─ Alkane Adsorption in Acidic Zeolites

F Berger, M Rybicki, J Sauer - ACS Catalysis, 2023 - ACS Publications
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 …