Scripting as an Approach to Automated CFD Simulation for Packed Bed Catalytic Reactor Modeling

Fernengel, Johanna; Habla, Florian; Hinrichsen, Olaf

doi:10.1002/cite.201700153

Cited by 5 publications

(3 citation statements)

References 19 publications

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“…Fernengel at al. (29) have presented an automated workflow for random packing generation, mesh generation, flow simulation, and reaction simulation using bash and python scripts based on Blender TM , OpenFOAM ® , and ParaView ® .…”

Section: Computer Generation Of Fixed Bedsmentioning

confidence: 99%

Computational Fluid Dynamics for Fixed Bed Reactor Design

Dixon

Partopour

2020

Annu. Rev. Chem. Biomol. Eng.

116

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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; therefore, advanced computational techniques are being applied to fixed bed modeling to an ever-greater extent. The fast-growing literature on the use of computational fluid dynamics (CFD) in fixed bed design reflects the rapid development of this subfield of reactor modeling. We identify recent trends and research directions in which successful methodology has been established, for example, in computer generation of packings of complex particles, and where more work is needed, for example, in the meshing of nonsphere packings and the simulation of industrial-size packed tubes. Development of fixed bed reactor models, by either using CFD directly or obtaining insight, closures, and parameters for engineering models from simulations, will increase confidence in using these methods for design along with, or instead of, expensive pilot-scale experiments.

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Section: Computer Generation Of Fixed Bedsmentioning

confidence: 99%

Computational Fluid Dynamics for Fixed Bed Reactor Design

Dixon

Partopour

2020

Annu. Rev. Chem. Biomol. Eng.

116

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“…One of them is Blender, an open source software, which has a physical library, Bullet Physics Library, included [24]. Recently, several research groups have been working on the possibility of using Blender for synthetic fixed-bed generation, see [25][26][27][28][29].…”

Section: Introductionmentioning

confidence: 99%

“…Because of the easy accessible and in Blender included Python scripting, the authors presented an own automation script for packed-bed generation. Fernengel et al [28] also used a Python script for a workflow of CFD simulations for packed-bed reactors in OpenFOAM. Finally Pavlišič et al [29] applied Blender for beds of spherical and arbitrary particles (cylinders, trilobes and quadrilobes) and investigated with CFD simulations the pressure drop in packed beds.…”

Section: Introductionmentioning

confidence: 99%

Synthetic Packed-Bed Generation for CFD Simulations: Blender vs. STAR-CCM+

Flaischlen¹,

Wehinger²

2019

Preprint

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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 (CFD) simulations. However, the underlying bed morphology plays a paramount role. Synthetic bed-generation methods are much more flexible and faster than image-based approaches. In this study, we look critically at the two different bed generation methods: Discrete Element Method (DEM) (in the commercial software STAR-CCM+) and the rigid-body model (in the open-source software Blender). The two approaches are compared in terms of synthetically generated beds with experimental data of overall and radial porosity, particle orientation, as well as radial velocities. Both models show accurate agreement for the porosity. However, only Blender shows similar particle orientation than the experimental results. The main drawback of the DEM is the long calculation time and the shape approximation with composite particles.  

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Acetylene Hydrogenation Processes Studied Using CFD in a Packed Bed Reactor

Guo,

Xin,

Du Du

et al. 2024

Chem Eng & Technol

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Acetylene hydrogenation reactions (AHR) are typically carried out in fixed bed reactors (FBRs) with high diameter‐to‐particle diameter (D/d). In this study, first, a real catalyst bed was built using the discrete element method, and the suitability of the bed was assessed using empirical equations. Second, a discrete element method‐computational fluid dynamics (DEM‐CFD) model was developed using CFD in conjunction with the reaction mechanism to simulate the AHR in the FBR and was compared with the experimental results. The results show that the DEM‐CFD can well predict the 3D interactions of velocity, temperature, and species for different D/d. The results can provide favorable theoretical guidance for the optimization of FBR and process intensification.

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Scripting as an Approach to Automated CFD Simulation for Packed Bed Catalytic Reactor Modeling

Cited by 5 publications

References 19 publications

Computational Fluid Dynamics for Fixed Bed Reactor Design

Computational Fluid Dynamics for Fixed Bed Reactor Design

Synthetic Packed-Bed Generation for CFD Simulations: Blender vs. STAR-CCM+

Acetylene Hydrogenation Processes Studied Using CFD in a Packed Bed Reactor

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