Contrasting the Role of Ni/Al2O3 Interfaces in Water–Gas Shift and Dry Reforming of Methane
Transition metal nanoparticles (NPs) are typically supported on oxides to ensure their
stability, which may result in modification of the original NP catalyst reactivity. In a number of …
stability, which may result in modification of the original NP catalyst reactivity. In a number of …
Achievements and expectations in the field of computational heterogeneous catalysis in an innovation context
C Chizallet - Topics in Catalysis, 2022 - Springer
Heterogeneous catalysis is linked to industrial considerations from its origins, so is
computational heterogeneous catalysis. The impact of first principles calculations on …
computational heterogeneous catalysis. The impact of first principles calculations on …
Multiscale Modeling as a Tool for the Prediction of Catalytic Performances: The Case of n-Heptane Hydroconversion in a Large-Pore Zeolite
The optimization of predictive kinetic models for catalytic processes is a topical challenge. In
the present work, a predictive multiscale single-event microkinetic model based on the data …
the present work, a predictive multiscale single-event microkinetic model based on the data …
Toward the atomic scale simulation of intricate acidic aluminosilicate catalysts
C Chizallet - Acs Catalysis, 2020 - ACS Publications
Zeolites are nanoporous aluminosilicates with well-defined crystalline structures, considered
key assets in heterogeneous catalysis, with a broad range of industrial applications …
key assets in heterogeneous catalysis, with a broad range of industrial applications …
Structure, location, and spatial proximities of hydroxyls on γ-alumina crystallites by high-resolution solid-state NMR and DFT modeling: why edges hold the key
The atomic-scale characterization of surface active sites on γ-alumina still represents a great
challenge for numerous catalytic applications. Here, we combine advanced density …
challenge for numerous catalytic applications. Here, we combine advanced density …
Selective cleavage of the diphenyl ether C–O bond over a Ni catalyst supported on AC with different pore structures and hydrophilicities
JX Xie, JP Cao, XY Zhao, W Jiang, L Zhao… - Energy & …, 2021 - ACS Publications
Selective cleavage of C–O bonds in diphenyl ether (DPE), a lignin-derived 4-O-5 linkage, is
a challenging topic and of great significance to produce value-added aromatic products for …
a challenging topic and of great significance to produce value-added aromatic products for …
[HTML][HTML] Solid acids for the reaction of bioderived alcohols into ethers for fuel applications
F Zaccheria, N Scotti, N Ravasio - Catalysts, 2019 - mdpi.com
The use of solids acids in the synthesis of ethers suitable to be used as fuels or fuel
additives were reviewed in a critical way. In particular, the role of Brønsted and Lewis acid …
additives were reviewed in a critical way. In particular, the role of Brønsted and Lewis acid …
Ferrierite vs. γ-Al2O3: The superiority of zeolites in terms of water-resistance in vapour-phase dehydration of methanol to dimethyl ether
The catalytic conversion of methanol to dimethyl ether (DME) over a series of home-made
FER-type zeolites having different acidities and commercial γ-Al 2 O 3 has been studied with …
FER-type zeolites having different acidities and commercial γ-Al 2 O 3 has been studied with …
Reversible deactivation of γ-alumina by steam in the gas-phase dehydration of methanol to dimethyl ether
J Boon, J van Kampen, R Hoogendoorn… - Catalysis …, 2019 - Elsevier
Acidic γ-Al 2 O 3 is an active catalyst for the dehydration of methanol to dimethyl ether
(DME). However, the produced steam reduces the activity. In this work, the influence of the …
(DME). However, the produced steam reduces the activity. In this work, the influence of the …
Characterization of acid-base catalysts through model reactions
M Guisnet, L Pinard - Catalysis Reviews, 2018 - Taylor & Francis
Physicochemical methods are frequently used for characterizing the acid-base catalysts
which are involved in many industrial processes, with the problem of large differences …
which are involved in many industrial processes, with the problem of large differences …