Multiscale structures in particle–fluid systems: Characterization, modeling, and simulation
W Ge, Q Chang, C Li, J Wang - Chemical Engineering Science, 2019 - Elsevier
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 …
and the characterization, modeling, and simulation methods for these systems. The …
Computational fluid dynamics of reacting flows at surfaces: Methodologies and applications
D Micale, C Ferroni, R Uglietti… - Chemie Ingenieur …, 2022 - Wiley Online Library
This review presents the numerical algorithms and speed‐up strategies developed to couple
continuum macroscopic simulations and detailed microkinetic models in the context of …
continuum macroscopic simulations and detailed microkinetic models in the context of …
Modeling of transport and chemistry in channel flows of automotive catalytic converters
N Mladenov, J Koop, S Tischer… - Chemical Engineering …, 2010 - Elsevier
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 …
transfer in channel flows with catalytically active walls at moderate temperatures and surface …
Rh1/γ‐Al2O3 Single‐Atom Catalysis of O2 Activation and CO Oxidation: Mechanism, Effects of Hydration, Oxidation State, and Cluster Size
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 …
is investigated here through ab initio molecular dynamics techniques. We scrutinize the …
Current status of modeling lean exhaust gas aftertreatment catalysts
A Güthenke, D Chatterjee, M Weibel, B Krutzsch… - Advances in chemical …, 2007 - Elsevier
Decreasing emission limits lead to the development of combined aftertreatment systems,
consisting of combinations of different catalyst technologies and particulate filters. Modeling …
consisting of combinations of different catalyst technologies and particulate filters. Modeling …
Impact of washcoat distribution on the catalytic performance of gasoline particulate filters as predicted by lattice Boltzmann simulations
I Belot, D Vidal, R Greiner, M Votsmeier… - Chemical Engineering …, 2021 - Elsevier
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 …
on its catalytic performance is investigated. Sections of catalyzed filter wall with different …
Advancing catalytic fast pyrolysis through integrated multiscale modeling and experimentation: Challenges, progress, and perspectives
Catalytic fast pyrolysis (CFP) is a conversion process that integrates rapid thermochemical
depolymerization of solid feedstocks with catalytic transformation to yield small molecules for …
depolymerization of solid feedstocks with catalytic transformation to yield small molecules for …
Multi-scale modelling of reaction and transport in porous catalysts
P Kočí, V Novák, F Štěpánek, M Marek… - Chemical Engineering …, 2010 - Elsevier
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 …
(nano, micro, and macro) are presented. Methodology is demonstrated on CO oxidation in …
Modelling transport phenomena and chemical reactions in automotive three-way catalytic converters
H Santos, M Costa - Chemical Engineering Journal, 2009 - Elsevier
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 catalytic layer of a three-way catalyst (TWC). A single channel model accounting for the …
Prediction of diffusivity and conversion of n-decane and CO in coated Pt/γ-Al2O3 catalyst depending on porous layer morphology
M Dudák, V Novák, P Kočí, M Marek… - Applied Catalysis B …, 2014 - Elsevier
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 …
by diffusion in the catalytic layer. This is particularly important for monolith reactors with …