Closure Development for Multi-Scale Fluidized Bed Reactor Models: A CLR Case Study

Stefan Radl, Federico Municchi, Schalk Cloete, Jan Hendrik Cloete, Stefan Andersson, Joana F Morgado, Thomas Gurker, Rosa Quinta Ferreira, Christoph Kloss, Christoph Goniva, Shahriar Amini

Research output: Contribution to journalConference article

Abstract

Chemical looping reforming (CLR) processes offer textbook examples for challenges in chemical engineering with respect to transport limitations. Phenomena that potentially need to be considered in a rigorous reactor model include (i) diffusion in solids as well as nanometer-scale pores, (ii) heat and mass transfer between suspended particles and the ambient gas, (iii) meso-scale phenomena such as clustering [1], and last but not least (iv) large-scale phenomena such as particle and gas-phase dispersion in the reactor’s axial direction. Considering all these phenomena typically requires a “zoo” of software tools, which should to be tightly integrated to facilitate rapid knowledge transfer.

Here we summarize our efforts within the “NanoSim” project (www.sintef.no/projectweb/nanosim) that aim on quantifying the relative importance of these phenomena in CLR applications. This project established a simulation platform for online and off-line coupling, spanning (i) intra-particle simulators [3], (ii) Computational Fluid Dynamics (CFD) models in various flavors [4,5], (iii) particle flow simulators [6], as well as (iv) phenomenological models [2]. We present a new generation of closure models for both particle- and cluster scale phenomena that enable significantly more reliable simulations of reactive fluidized beds. Another key result of our project is the open-source co-simulation simulation platform “COSI”: this platform is not only useful for multiphysics co-simulation of industrial-scale reactive fluid-particle systems, but also for distilling generally-applicable closure laws to be used in traditional offline coupling. Closure law development is greatly accelerated with our tool “CPPPO” [7], which is highly scalable and flexible. A key conclusion of NanoSim is that already at the particle scale significant uncertainties are introduced. This is due to the nature of gas-particle flow, i.e., the spontaneous formation of heterogeneities that strongly impact flow and species transport.

References
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F. Municchi, S. Radl, Consistent closures for Euler-Lagrange models of bi-disperse gas-particle suspensions derived from particle-resolved direct numerical simulations, Int. J. Heat Mass Transf. 111 (2017) 171–190.
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Original languageEnglish
Pages (from-to)247-252
JournalComputer Aided Chemical Engineering
Volume43
Publication statusPublished - 1 Jun 2018
EventESCAPE28: 28th European Symposium on Computer Aided Process Engineering - Congress Graz, Graz, Austria
Duration: 10 Jun 201813 Jun 2018
Conference number: EFCE Event 745
https://www.tugraz.at/events/escape28/home/

Keywords

  • fluidized beds
  • simulation
  • multi-scale modeling

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