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 articleResearchpeer-review

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.
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/

Fingerprint

Reforming reactions
Fluidized beds
Gases
Powders
Suspensions
Computational fluid dynamics
Mass transfer
Simulators
Diffusion in solids
Fluids
Textbooks
Flavors
Direct numerical simulation
Chemical engineering
Drag
Dynamic models
Heat transfer

Keywords

  • fluidized beds
  • simulation
  • multi-scale modeling

Cite this

Radl, S., Municchi, F., Cloete, S., Cloete, J. H., Andersson, S., Morgado, J. F., ... Amini, S. (2018). Closure Development for Multi-Scale Fluidized Bed Reactor Models: A CLR Case Study. Computer aided chemical engineering, 43, 247-252.

Closure Development for Multi-Scale Fluidized Bed Reactor Models: A CLR Case Study. / Radl, Stefan; Municchi, Federico; Cloete, Schalk; Cloete, Jan Hendrik ; Andersson, Stefan; Morgado, Joana F; Gurker, Thomas; Ferreira, Rosa Quinta; Kloss, Christoph; Goniva, Christoph; Amini, Shahriar.

In: Computer aided chemical engineering, Vol. 43, 01.06.2018, p. 247-252.

Research output: Contribution to journalConference articleResearchpeer-review

Radl, S, Municchi, F, Cloete, S, Cloete, JH, Andersson, S, Morgado, JF, Gurker, T, Ferreira, RQ, Kloss, C, Goniva, C & Amini, S 2018, 'Closure Development for Multi-Scale Fluidized Bed Reactor Models: A CLR Case Study' Computer aided chemical engineering, vol. 43, pp. 247-252.
Radl S, Municchi F, Cloete S, Cloete JH, Andersson S, Morgado JF et al. Closure Development for Multi-Scale Fluidized Bed Reactor Models: A CLR Case Study. Computer aided chemical engineering. 2018 Jun 1;43:247-252.
Radl, Stefan ; Municchi, Federico ; Cloete, Schalk ; Cloete, Jan Hendrik ; Andersson, Stefan ; Morgado, Joana F ; Gurker, Thomas ; Ferreira, Rosa Quinta ; Kloss, Christoph ; Goniva, Christoph ; Amini, Shahriar. / Closure Development for Multi-Scale Fluidized Bed Reactor Models: A CLR Case Study. In: Computer aided chemical engineering. 2018 ; Vol. 43. pp. 247-252.
@article{61a5434df3864d3590134b4428da5a74,
title = "Closure Development for Multi-Scale Fluidized Bed Reactor Models: A CLR Case Study",
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.ReferencesS. 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.",
keywords = "fluidized beds, simulation, multi-scale modeling",
author = "Stefan Radl and Federico Municchi and Schalk Cloete and Cloete, {Jan Hendrik} and Stefan Andersson and Morgado, {Joana F} and Thomas Gurker and Ferreira, {Rosa Quinta} and Christoph Kloss and Christoph Goniva and Shahriar Amini",
year = "2018",
month = "6",
day = "1",
language = "English",
volume = "43",
pages = "247--252",
journal = "Computer aided chemical engineering",
issn = "1570-7946",
publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Closure Development for Multi-Scale Fluidized Bed Reactor Models: A CLR Case Study

AU - Radl, Stefan

AU - Municchi, Federico

AU - Cloete, Schalk

AU - Cloete, Jan Hendrik

AU - Andersson, Stefan

AU - Morgado, Joana F

AU - Gurker, Thomas

AU - Ferreira, Rosa Quinta

AU - Kloss, Christoph

AU - Goniva, Christoph

AU - Amini, Shahriar

PY - 2018/6/1

Y1 - 2018/6/1

N2 - 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.ReferencesS. 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.

AB - 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.ReferencesS. 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.

KW - fluidized beds

KW - simulation

KW - multi-scale modeling

M3 - Conference article

VL - 43

SP - 247

EP - 252

JO - Computer aided chemical engineering

JF - Computer aided chemical engineering

SN - 1570-7946

ER -