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 …

This review presents the numerical algorithms and speed‐up strategies developed to couple
continuum macroscopic simulations and detailed microkinetic models in the context of …

A novel comprehensive numerical study is presented for a better understanding of mass
transfer in channel flows with catalytically active walls at moderate temperatures and surface …

The single‐atom catalysis of O2 activation and CO oxidation with Rh1 supported on γ‐Al2O3
is investigated here through ab initio molecular dynamics techniques. We scrutinize the …

Decreasing emission limits lead to the development of combined aftertreatment systems,
consisting of combinations of different catalyst technologies and particulate filters. Modeling …

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 …

Catalytic fast pyrolysis (CFP) is a conversion process that integrates rapid thermochemical
depolymerization of solid feedstocks with catalytic transformation to yield small molecules for …

Mathematical models of reaction and transport in porous catalyst on three different scales
(nano, micro, and macro) are presented. Methodology is demonstrated on CO oxidation in …

This study concentrates on the external and internal mass transfer with multiple reactions in
the catalytic layer of a three-way catalyst (TWC). A single channel model accounting for the …

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 …