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Handling contact points in reactive CFD simulations of heterogeneous catalytic fixed bed reactors.pdf

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Handling contact points in reactive CFD simulations of heterogeneous catalytic fixed bed reactors.pdf

Chemical Engineering Science 141 (2016) 240–249 Contents lists available at ScienceDirect Chemical Engineering Science journal homepage: /locate/ces Handling contact points in reactive CFD simulations of heterogeneous catalytic ?xed bed reactors Stefano Rebughini a, Alberto Cuoci b, Matteo Maestri a,n a Laboratory of Catalysis and Catalytic Processes, Dipartimento di Energia, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano, Italy b Department of Chemistry, Materials and Chemical Engineering, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano, Italy HIGHLIGHTS The problem of contact points in reacting CFD of gas–solid reactors is assessed. The bridge method is extended to the situation of reaction at surfaces. A meshing protocol for surface chemistry in packed bed reactors is presented. GRAPHICAL ABSTRACT article info Article history: Received 30 April 2015 Received in revised form 25 October 2015 Accepted 18 November 2015 Available online 1 December 2015 Keywords: Computational Fluid Dynamics Discrete Element Method Fixed bed reactors Contact points Gas–solid reactor Catalysis abstract The mesh generation is a crucial step for Computational Fluid Dynamic (CFD) simulations and incorrect numerical descriptions of the geometry may strongly affect the reliability and the accuracy of the results. This is especially true in handling the contact points in random packed bed of spheres. In this respect, we provide a systematic investigation of the treatment of the contact points for reactive CFD simulations of gas–solid packed beds of spheres. In particular, building on previous literature results on radial heat transfer and pressure drop simulations, we extend and assess the bridge method to reaction at surfaces. At this scope, we ?rst analyze a regular bed of spheres in laminar conditions (Re $ 80). This regular packed bed and the laminar ?ow regime allow for a direct and feasible meshing of the contact points, thus giving the possibili