Population Balance Solution Using Fixed Point Convergence Acceleration for Steady-State Reactor Networks

The simulation of industrial crystallizers needs the implementation of multi-compartment models to handle the spatial heterogeneities at lower cost. In this context the study of recycle streams appears as an intermediate step to solve complex reactor networks. In this work, an accelerated fixed-poin...

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Main Authors: Vasquez Cristian Camilo Ruiz, Lebaz Noureddine, Ramière Isabelle, Bertrand Murielle, Mangin Denis
Format: Article
Language:English
Published: EDP Sciences 2025-01-01
Series:EPJ Web of Conferences
Online Access:https://www.epj-conferences.org/articles/epjconf/pdf/2025/02/epjconf_atalante2025_01010.pdf
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author Vasquez Cristian Camilo Ruiz
Lebaz Noureddine
Ramière Isabelle
Bertrand Murielle
Mangin Denis
author_facet Vasquez Cristian Camilo Ruiz
Lebaz Noureddine
Ramière Isabelle
Bertrand Murielle
Mangin Denis
author_sort Vasquez Cristian Camilo Ruiz
collection DOAJ
description The simulation of industrial crystallizers needs the implementation of multi-compartment models to handle the spatial heterogeneities at lower cost. In this context the study of recycle streams appears as an intermediate step to solve complex reactor networks. In this work, an accelerated fixed-point algorithm is applied to the solution of the crystal size distribution and the liquid phase composition in a structure including two compartments and one recycle stream. The numerical strategy, including fixed-point formulation, acceleration method, initial condition and convergence criteria, is introduced. One of the strengths of the proposed algorithm is that it does not depend on the numerical method used to solve the population balance equation in each compartment. As a case study, the numerical method is performed on the uranium oxalic precipitation. Thanks to this approach, local values of crystallisation kinetics, mass transfer and crystal size distribution are obtained. The evolution of the actinide concentration and the average crystal size follow the theory of the crystallisation mechanisms. Finally, the very satisfactory numerical performances open the way to simulate more complex and demanding reactor network structures.
format Article
id doaj-art-fac6187a96124901a07ab0b04236595b
institution Kabale University
issn 2100-014X
language English
publishDate 2025-01-01
publisher EDP Sciences
record_format Article
series EPJ Web of Conferences
spelling doaj-art-fac6187a96124901a07ab0b04236595b2025-02-05T10:53:04ZengEDP SciencesEPJ Web of Conferences2100-014X2025-01-013170101010.1051/epjconf/202531701010epjconf_atalante2025_01010Population Balance Solution Using Fixed Point Convergence Acceleration for Steady-State Reactor NetworksVasquez Cristian Camilo Ruiz0Lebaz Noureddine1Ramière Isabelle2Bertrand Murielle3Mangin Denis4CEA, DES, ISEC, DMRC, Université MontpellierUniversité Claude Bernard Lyon 1, CNRS, LAGEPP UMRCEA, DES, IRESNE, DECCEA, DES, ISEC, DMRC, Université MontpellierUniversité Claude Bernard Lyon 1, CNRS, LAGEPP UMRThe simulation of industrial crystallizers needs the implementation of multi-compartment models to handle the spatial heterogeneities at lower cost. In this context the study of recycle streams appears as an intermediate step to solve complex reactor networks. In this work, an accelerated fixed-point algorithm is applied to the solution of the crystal size distribution and the liquid phase composition in a structure including two compartments and one recycle stream. The numerical strategy, including fixed-point formulation, acceleration method, initial condition and convergence criteria, is introduced. One of the strengths of the proposed algorithm is that it does not depend on the numerical method used to solve the population balance equation in each compartment. As a case study, the numerical method is performed on the uranium oxalic precipitation. Thanks to this approach, local values of crystallisation kinetics, mass transfer and crystal size distribution are obtained. The evolution of the actinide concentration and the average crystal size follow the theory of the crystallisation mechanisms. Finally, the very satisfactory numerical performances open the way to simulate more complex and demanding reactor network structures.https://www.epj-conferences.org/articles/epjconf/pdf/2025/02/epjconf_atalante2025_01010.pdf
spellingShingle Vasquez Cristian Camilo Ruiz
Lebaz Noureddine
Ramière Isabelle
Bertrand Murielle
Mangin Denis
Population Balance Solution Using Fixed Point Convergence Acceleration for Steady-State Reactor Networks
EPJ Web of Conferences
title Population Balance Solution Using Fixed Point Convergence Acceleration for Steady-State Reactor Networks
title_full Population Balance Solution Using Fixed Point Convergence Acceleration for Steady-State Reactor Networks
title_fullStr Population Balance Solution Using Fixed Point Convergence Acceleration for Steady-State Reactor Networks
title_full_unstemmed Population Balance Solution Using Fixed Point Convergence Acceleration for Steady-State Reactor Networks
title_short Population Balance Solution Using Fixed Point Convergence Acceleration for Steady-State Reactor Networks
title_sort population balance solution using fixed point convergence acceleration for steady state reactor networks
url https://www.epj-conferences.org/articles/epjconf/pdf/2025/02/epjconf_atalante2025_01010.pdf
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AT lebaznoureddine populationbalancesolutionusingfixedpointconvergenceaccelerationforsteadystatereactornetworks
AT ramiereisabelle populationbalancesolutionusingfixedpointconvergenceaccelerationforsteadystatereactornetworks
AT bertrandmurielle populationbalancesolutionusingfixedpointconvergenceaccelerationforsteadystatereactornetworks
AT mangindenis populationbalancesolutionusingfixedpointconvergenceaccelerationforsteadystatereactornetworks