This article reviews the general features of the multiscale structures in particle–fluid systems
and the characterization, modeling, and simulation methods for these systems. The …

The intensification of catalytic reactors is expected to play a crucial role to address the
challenges that the chemical industry is facing in the transition to more sustainable …

The goal of multiscale modelling of heterogeneous catalytic reactors is the prediction of all
steps, starting from the reaction mechanism at the active centre, the rates of reaction …

A general framework based on pore network modeling is presented for simulation of reactive
transport in a porous catalyst with a hierarchy of porosity. The proposed framework is …

The most rigorous description of catalytic fixed-bed reactors is particle-resolved CFD
simulations. Pore processes can have a large effect toward reactor performance, since they …

The impact of catalyst distribution within the porous wall of a coated gasoline particulate filter
on its catalytic performance is investigated. Sections of catalyzed filter wall with different …

Spatially resolved capillary-inlet mass spectrometry (SpaciMS) provides a detailed picture of
the spatiotemporal evolution of reaction network in catalytic monoliths. In the present work …

The effects of pressure on the structural and electronic properties and the ionic configuration
of ZIF-4 were investigated through the first-principles method based on the density functional …

Fixed bed reactor is widely used in the petrochemical industry. The most rigorous
description of it is particle-resolved simulation. In this study, a particle-resolved CFD model …

The conversion in monolith reactors for automotive exhaust gas aftertreatment can be limited
by diffusion in the catalytic layer. This is particularly important for monolith reactors with …