Contrasting the Role of Ni/Al2O3 Interfaces in Water–Gas Shift and Dry Reforming of Methane

L Foppa, T Margossian, SM Kim… - Journal of the …, 2017 - ACS Publications
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 …

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 …

Multiscale Modeling as a Tool for the Prediction of Catalytic Performances: The Case of n-Heptane Hydroconversion in a Large-Pore Zeolite

JM Schweitzer, J Rey, C Bignaud, T Bučko… - ACS …, 2022 - ACS Publications
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 …

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 …

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

ATF Batista, T Pigeon, J Meyet, D Wisser… - ACS …, 2023 - ACS Publications
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 …

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 …

[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 …

Ferrierite vs. γ-Al2O3: The superiority of zeolites in terms of water-resistance in vapour-phase dehydration of methanol to dimethyl ether

E Catizzone, M Migliori, A Purita, G Giordano - Journal of energy chemistry, 2019 - Elsevier
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 …

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 …

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 …