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Simulation of catalytic reactions in open-cell foam structures
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  • Sebastian Muehlbauer,
  • Severin Strobl,
  • Matthew Coleman,
  • Thorsten Poeschel
Sebastian Muehlbauer
Friedrich-Alexander-Universitat Erlangen-Nurnberg
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Severin Strobl
Friedrich-Alexander-Universitat Erlangen-Nurnberg
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Matthew Coleman
University of Notre Dame College of Engineering
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Thorsten Poeschel
Friedrich-Alexander-Universitat Erlangen-Nurnberg
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Abstract

We describe a technique for particle-based simulations of heterogeneous catalysis in open-cell foam structures, which is based on isotropic Stochastic Rotation Dynamics (iSRD) together with Constructive Solid Geometry (CSG). The approach is validated by means of experimental results for the low-temperature water-gas shift reaction in an open-cell foam structure modeled as inverse sphere packing. Considering the relation between Sherwood and Reynolds number, we find two distinct regimes meeting approximately at the strut size Reynolds number 10. For typical parameters from the literature, we find that the catalyst density in the washcoat can be reduced considerably without a notable loss of conversion efficiency. We vary the porosity to determine optimum open-cell foam structures, which combine low flow resistance with high conversion efficiency and find large porosity values to be favorable not only in the mass transfer limited regime but also in the intermediate regime.

Peer review status:IN REVISION

04 Oct 2020Submitted to AIChE Journal
18 Oct 2020Assigned to Editor
18 Oct 2020Submission Checks Completed
27 Oct 2020Reviewer(s) Assigned
17 Mar 2021Editorial Decision: Revise Major