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

Publikation: Beitrag in einer FachzeitschriftKonferenzartikelBegutachtung

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
S. Radl, S. Sundaresan, A drag model for filtered Euler-Lagrange simulations of clustered gas-particle suspensions, Chem. Eng. Sci. 117 (2014) 416–425.
J. Francisco Morgado, S. Cloete, J. Morud, T. Gurker, S. Amini, Modelling study of two chemical looping reforming reactor configurations: looping vs. switching, Powder Technol. 316 (2017) 599–613.
S. Radl, T. Forgber, A. Aigner, C. Kloss, ParScale - An Open-Source Library for the Simulation of Intra-Particle Heat and Mass Transport Processes in Coupled Simulations, in: E. Onate, M. Bischoff, D.R.J. Owen, P. Wriggers, T. Zhodi (Eds.), IV Int. Conf. Part. Methods – Fundam. Appl. (PARTICLES 2015), ECCOMAS, Barcelona, Spain, 2015: pp. 1–9.
J.H. Cloete, S. Cloete, F. Municchi, S. Radl, S. Amini, The sensitivity of filtered Two Fluid Model to the underlying resolved simulation setup, Powder Technol. 316 (2017) 265–277.
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.
A. Hager, C. Kloss, S. Pirker, C. Goniva, Parallel Resolved Open Source CFD-DEM: Method, Validation and Application, J. Comput. Multiph. Flows. 6 (2014) 13–28.
F. Municchi, C. Goniva, S. Radl, Highly efficient spatial data filtering in parallel using the opensource library CPPPO, Comput. Phys. Commun. 207 (2016) 400–414.
Originalspracheenglisch
Seiten (von - bis)247-252
FachzeitschriftComputer Aided Chemical Engineering
Jahrgang43
PublikationsstatusVeröffentlicht - 1 Jun 2018
Veranstaltung28th European Symposium on Computer Aided Process Engineering: ESCAPE28 - Congress Graz, Graz, Österreich
Dauer: 10 Jun 201813 Jun 2018
Konferenznummer: EFCE Event 745
https://www.tugraz.at/events/escape28/home/

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