Accelerating particle-resolved CFD simulations of catalytic fixed-bed reactors with DUO

Eric A. Daymo,Matthias Hettel,Olaf Deutschmann,Gregor D. Wehinger

Chemical Engineering Science（2022）

引用 8|浏览6

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摘要

•3D modeling of an 86-particle fixed bed with CPOX and DRM chemistry.•ISAT and CA methods used to accelerate the calculation of reaction source terms.•CA method is simpler than other implementations of this acceleration technique.•ISAT and CA methods were added to DUO, which couples OpenFOAM and DETCHEM.•Speedup factors were 7x for CPOX and 35x for DRM, with acceptable calculation errors.

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关键词

Fixed-bed reactor,computational fluid dynamics (CFD),Catalysis,Surface chemistry microkinetics,ISAT,Cell agglomeration

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