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Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane

[Image: see text] We propose a numerical methodology to combine detailed microkinetic modeling and Eulerian–Eulerian methods for the simulation of industrial fluidized bed reactors. An operator splitting-based approach has been applied to solve the detailed kinetics coupled with the solution of mult...

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Autores principales: Micale, Daniele, Uglietti, Riccardo, Bracconi, Mauro, Maestri, Matteo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154421/
https://www.ncbi.nlm.nih.gov/pubmed/34054213
http://dx.doi.org/10.1021/acs.iecr.0c05845
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author Micale, Daniele
Uglietti, Riccardo
Bracconi, Mauro
Maestri, Matteo
author_facet Micale, Daniele
Uglietti, Riccardo
Bracconi, Mauro
Maestri, Matteo
author_sort Micale, Daniele
collection PubMed
description [Image: see text] We propose a numerical methodology to combine detailed microkinetic modeling and Eulerian–Eulerian methods for the simulation of industrial fluidized bed reactors. An operator splitting-based approach has been applied to solve the detailed kinetics coupled with the solution of multiphase gas–solid flows. Lab and industrial reactor configurations are simulated to assess the capability and the accuracy of the method by using the oxidative coupling of methane as a showcase. A good agreement with lab-scale experimental data (deviations below 10%) is obtained. Moreover, in this specific case, the proposed framework provides a 4-fold reduction of the computational cost required to reach the steady-state when compared to the approach of linearizing the chemical source term. As a whole, the work paves the way to the incorporation of detailed kinetics in the simulation of industrial fluidized reactors.
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spelling pubmed-81544212021-05-27 Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane Micale, Daniele Uglietti, Riccardo Bracconi, Mauro Maestri, Matteo Ind Eng Chem Res [Image: see text] We propose a numerical methodology to combine detailed microkinetic modeling and Eulerian–Eulerian methods for the simulation of industrial fluidized bed reactors. An operator splitting-based approach has been applied to solve the detailed kinetics coupled with the solution of multiphase gas–solid flows. Lab and industrial reactor configurations are simulated to assess the capability and the accuracy of the method by using the oxidative coupling of methane as a showcase. A good agreement with lab-scale experimental data (deviations below 10%) is obtained. Moreover, in this specific case, the proposed framework provides a 4-fold reduction of the computational cost required to reach the steady-state when compared to the approach of linearizing the chemical source term. As a whole, the work paves the way to the incorporation of detailed kinetics in the simulation of industrial fluidized reactors. American Chemical Society 2021-02-12 2021-05-12 /pmc/articles/PMC8154421/ /pubmed/34054213 http://dx.doi.org/10.1021/acs.iecr.0c05845 Text en © 2021 The Authors. Published by American Chemical Society Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Micale, Daniele
Uglietti, Riccardo
Bracconi, Mauro
Maestri, Matteo
Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane
title Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane
title_full Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane
title_fullStr Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane
title_full_unstemmed Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane
title_short Coupling Euler–Euler and Microkinetic Modeling for the Simulation of Fluidized Bed Reactors: an Application to the Oxidative Coupling of Methane
title_sort coupling euler–euler and microkinetic modeling for the simulation of fluidized bed reactors: an application to the oxidative coupling of methane
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154421/
https://www.ncbi.nlm.nih.gov/pubmed/34054213
http://dx.doi.org/10.1021/acs.iecr.0c05845
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