In 2006, Dixon et al. published the comprehensive review article entitled “Packed tubular
reactor modeling and catalyst design using computational fluid dynamics.” More than one …

Flow, heat, and mass transfer in fixed beds of catalyst particles are complex phenomena
and, when combined with catalytic reactions, are multiscale in both time and space; …

In this work we developed an open-source work-flow for the construction of data-driven
models from a wide Computational Fluid Dynamics (CFD) simulations campaign. We …

A promising workflow for computational generation and meshing of resolved-particle
randomly packed beds of arbitrary-shaped particles is described. The workflow is based on …

The modeling of flow and transport in porous media is of the utmost importance in many
chemical engineering applications, including catalytic reactors, batteries, and CO2 storage …

A fully resolved direct numerical simulation of flow and heat transfer is presented for slender
randomly packed bed reactors. The flow and temperature field are solved over a non-body …

There has been a growing trend to couple different levels of modelling, such as going from
first-principle calculations to the meso (eg kinetic Monte Carlo-KMC) and macro scale (eg …

Independent from their intended purpose, the understanding of structural characteristics of
random packings of particles having defined shapes is important to understand and optimize …

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 common reactor type in the chemical and process industry is the fixed-bed reactor.
Accurate modeling can be achieved with particle-resolved computational fluid dynamic …