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 …
Propane aromatization over HZSM‐5 and Ga/HZSM‐5 catalysts
A Bhan, W Nicholas Delgass - Catalysis Reviews, 2008 - Taylor & Francis
The selective transformation of light alkanes to aromatics that are more valuable and
versatile feedstocks for the chemical industry is one of the major challenges of catalytic …
versatile feedstocks for the chemical industry is one of the major challenges of catalytic …
The catalytic diversity of zeolites: confinement and solvation effects within voids of molecular dimensions
The ability of molecular sieves to control the access and egress of certain reactants and
products and to preferentially contain certain transition states while excluding others based …
products and to preferentially contain certain transition states while excluding others based …
Ordered hydrogen-bonded alcohol networks confined in Lewis acid zeolites accelerate transfer hydrogenation turnover rates
JR Di Iorio, BA Johnson… - Journal of the American …, 2020 - ACS Publications
The disruption of ordered water molecules confined within hydrophobic reaction pockets
alters the energetics of adsorption and catalysis, but a mechanistic understanding of how …
alters the energetics of adsorption and catalysis, but a mechanistic understanding of how …
Catalytic consequences of spatial constraints and acid site location for monomolecular alkane activation on zeolites
The location of Brønsted acid sites within zeolite channels strongly influences reactivity
because of the extent to which spatial constraints determine the stability of reactants and of …
because of the extent to which spatial constraints determine the stability of reactants and of …
The roles of entropy and enthalpy in stabilizing ion-pairs at transition states in zeolite acid catalysis
Acidic zeolites are indispensable catalysts in the petrochemical industry because they select
reactants and their chemical pathways based on size and shape. Voids of molecular …
reactants and their chemical pathways based on size and shape. Voids of molecular …
What do we know about the acidity of solid acids?
RJ Gorte - Catalysis Letters, 1999 - Springer
With a proper understanding of the nature of solid acidity, zeolites and other solid acids have
great potential for replacing homogeneous acids in a wide range of catalytic applications …
great potential for replacing homogeneous acids in a wide range of catalytic applications …
Molecular simulation of adsorption: Gibbs dividing surface and comparison with experiment
O Talu, AL Myers - AIChE journal, 2001 - Wiley Online Library
At low temperature near the normal boiling point, computer simulations of adsorption of
gases can be compared directly with experiment. However, for adsorptive gas separations in …
gases can be compared directly with experiment. However, for adsorptive gas separations in …
Cold-Start NOx Mitigation by Passive Adsorption Using Pd-Exchanged Zeolites: From Material Design to Mechanism Understanding and System Integration
It remains a major challenge to abate efficiently the harmful nitrogen oxides (NO x) in low-
temperature diesel exhausts emitted during the cold-start period of engine operation …
temperature diesel exhausts emitted during the cold-start period of engine operation …
Benchmark data for interactions in zeolite model complexes and their use for assessment and validation of electronic structure methods
Y Zhao, DG Truhlar - The Journal of Physical Chemistry C, 2008 - ACS Publications
We present benchmark binding energies for five zeolite model complexes, with four of the
adsorbates bound noncovalently and one covalently. The binding energies were …
adsorbates bound noncovalently and one covalently. The binding energies were …