Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations
Autor(a) principal: | |
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Data de Publicação: | 2018 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10316/107548 https://doi.org/10.3390/en11040805 |
Resumo: | Particle-resolved direct numerical simulation (PR-DNS) is known to provide an accurate detailed insight into the local flow phenomena in static particle arrays. Most PR-DNS studies in literature do not account for reactions taking place inside the porous particles. In this study, PR-DNS is performed for catalytic reactions inside the particles using the multifluid approach where all heat and mass transfer phenomena are directly resolved both inside and outside the particles. These simulation results are then used to verify existing 1D model closures from literature over a number of different reaction parameters including different reaction orders, multiple reactions and reactants, interacting reactions, and reactions involving gas volume generation/consumption inside the particle. Results clearly showed that several modifications to existing 1D model closures are required to reproduce PR-DNS results. The resulting enhanced 1D model was then used to accurately simulate steam methane reforming, which includes all of the aforementioned reaction complexities. The effect of multiple reactants was found to be the most influential in this case. |
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Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulationscatalysispacked bed reactorssteam methane reformingdirect numerical simulation (DNS)multiscale modellingParticle-resolved direct numerical simulation (PR-DNS) is known to provide an accurate detailed insight into the local flow phenomena in static particle arrays. Most PR-DNS studies in literature do not account for reactions taking place inside the porous particles. In this study, PR-DNS is performed for catalytic reactions inside the particles using the multifluid approach where all heat and mass transfer phenomena are directly resolved both inside and outside the particles. These simulation results are then used to verify existing 1D model closures from literature over a number of different reaction parameters including different reaction orders, multiple reactions and reactants, interacting reactions, and reactions involving gas volume generation/consumption inside the particle. Results clearly showed that several modifications to existing 1D model closures are required to reproduce PR-DNS results. The resulting enhanced 1D model was then used to accurately simulate steam methane reforming, which includes all of the aforementioned reaction complexities. The effect of multiple reactants was found to be the most influential in this case.MDPI2018info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/107548http://hdl.handle.net/10316/107548https://doi.org/10.3390/en11040805eng1996-1073Singhal, ArpitCloete, SchalkQuinta-Ferreira, Rosa M.Amini, Shahriarinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-08-12T18:37:37Zoai:estudogeral.uc.pt:10316/107548Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:23:53.585615Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations |
title |
Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations |
spellingShingle |
Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations Singhal, Arpit catalysis packed bed reactors steam methane reforming direct numerical simulation (DNS) multiscale modelling |
title_short |
Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations |
title_full |
Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations |
title_fullStr |
Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations |
title_full_unstemmed |
Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations |
title_sort |
Verification of Heat and Mass Transfer Closures in Industrial Scale Packed Bed Reactor Simulations |
author |
Singhal, Arpit |
author_facet |
Singhal, Arpit Cloete, Schalk Quinta-Ferreira, Rosa M. Amini, Shahriar |
author_role |
author |
author2 |
Cloete, Schalk Quinta-Ferreira, Rosa M. Amini, Shahriar |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Singhal, Arpit Cloete, Schalk Quinta-Ferreira, Rosa M. Amini, Shahriar |
dc.subject.por.fl_str_mv |
catalysis packed bed reactors steam methane reforming direct numerical simulation (DNS) multiscale modelling |
topic |
catalysis packed bed reactors steam methane reforming direct numerical simulation (DNS) multiscale modelling |
description |
Particle-resolved direct numerical simulation (PR-DNS) is known to provide an accurate detailed insight into the local flow phenomena in static particle arrays. Most PR-DNS studies in literature do not account for reactions taking place inside the porous particles. In this study, PR-DNS is performed for catalytic reactions inside the particles using the multifluid approach where all heat and mass transfer phenomena are directly resolved both inside and outside the particles. These simulation results are then used to verify existing 1D model closures from literature over a number of different reaction parameters including different reaction orders, multiple reactions and reactants, interacting reactions, and reactions involving gas volume generation/consumption inside the particle. Results clearly showed that several modifications to existing 1D model closures are required to reproduce PR-DNS results. The resulting enhanced 1D model was then used to accurately simulate steam methane reforming, which includes all of the aforementioned reaction complexities. The effect of multiple reactants was found to be the most influential in this case. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10316/107548 http://hdl.handle.net/10316/107548 https://doi.org/10.3390/en11040805 |
url |
http://hdl.handle.net/10316/107548 https://doi.org/10.3390/en11040805 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
1996-1073 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
MDPI |
publisher.none.fl_str_mv |
MDPI |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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