Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor
Autor(a) principal: | |
---|---|
Data de Publicação: | 2017 |
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/10316/108140 https://doi.org/10.3390/en10122056 |
Resumo: | Packed bed reactors are broadly used in industry and are under consideration for novel reactor concepts such as packed bed chemical looping reforming (PBCLR). Mass and heat transfer limitations in and around the particles in packed bed reactors strongly affect the behavior of these units. This study employs a multiscale modeling methodology to simulate a PBCLR reactor. Specifically, small-scale particle-resolved direct numerical simulation is utilized to improve large-scale mass transfer models for use in an industrial scale 1D model. Existing intra-particle mass transfer models perform well for simple first order reactions, but several model enhancements were required to model the more complex steam methane reforming reaction system. Three specific aspects required enhanced modeling: the generation of additional gas volume by the reforming reactions, the lack of clear reaction orders in the equilibrium reactions, and the diffusion of multiple reactant species into the particle. Large-scale simulations of the PBCLR reactor with the enhanced 1D model showed that the highly reactive Ni-based catalyst/oxygen carrier employed allows for the use of large particle sizes and high gas flowrates, offering potential for process intensification. |
id |
RCAP_8852cf33f9e7877ec08a8925042596c9 |
---|---|
oai_identifier_str |
oai:estudogeral.uc.pt:10316/108140 |
network_acronym_str |
RCAP |
network_name_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository_id_str |
7160 |
spelling |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactorchemical looping reformingparticle resolved direct numerical simulation (PR-DNS)heat transfermultiscalepacked bedreaction ratesteam methane reforming (SMR)Packed bed reactors are broadly used in industry and are under consideration for novel reactor concepts such as packed bed chemical looping reforming (PBCLR). Mass and heat transfer limitations in and around the particles in packed bed reactors strongly affect the behavior of these units. This study employs a multiscale modeling methodology to simulate a PBCLR reactor. Specifically, small-scale particle-resolved direct numerical simulation is utilized to improve large-scale mass transfer models for use in an industrial scale 1D model. Existing intra-particle mass transfer models perform well for simple first order reactions, but several model enhancements were required to model the more complex steam methane reforming reaction system. Three specific aspects required enhanced modeling: the generation of additional gas volume by the reforming reactions, the lack of clear reaction orders in the equilibrium reactions, and the diffusion of multiple reactant species into the particle. Large-scale simulations of the PBCLR reactor with the enhanced 1D model showed that the highly reactive Ni-based catalyst/oxygen carrier employed allows for the use of large particle sizes and high gas flowrates, offering potential for process intensification.MDPI2017info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://hdl.handle.net/10316/108140http://hdl.handle.net/10316/108140https://doi.org/10.3390/en10122056eng1996-1073Singhal, 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:RCAAP2023-08-12T18:36:54Zoai:estudogeral.uc.pt:10316/108140Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T21:24:26.137237Repositório 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 |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor |
title |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor |
spellingShingle |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor Singhal, Arpit chemical looping reforming particle resolved direct numerical simulation (PR-DNS) heat transfer multiscale packed bed reaction rate steam methane reforming (SMR) |
title_short |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor |
title_full |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor |
title_fullStr |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor |
title_full_unstemmed |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor |
title_sort |
Multiscale Modeling of a Packed Bed Chemical Looping Reforming (PBCLR) Reactor |
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 |
chemical looping reforming particle resolved direct numerical simulation (PR-DNS) heat transfer multiscale packed bed reaction rate steam methane reforming (SMR) |
topic |
chemical looping reforming particle resolved direct numerical simulation (PR-DNS) heat transfer multiscale packed bed reaction rate steam methane reforming (SMR) |
description |
Packed bed reactors are broadly used in industry and are under consideration for novel reactor concepts such as packed bed chemical looping reforming (PBCLR). Mass and heat transfer limitations in and around the particles in packed bed reactors strongly affect the behavior of these units. This study employs a multiscale modeling methodology to simulate a PBCLR reactor. Specifically, small-scale particle-resolved direct numerical simulation is utilized to improve large-scale mass transfer models for use in an industrial scale 1D model. Existing intra-particle mass transfer models perform well for simple first order reactions, but several model enhancements were required to model the more complex steam methane reforming reaction system. Three specific aspects required enhanced modeling: the generation of additional gas volume by the reforming reactions, the lack of clear reaction orders in the equilibrium reactions, and the diffusion of multiple reactant species into the particle. Large-scale simulations of the PBCLR reactor with the enhanced 1D model showed that the highly reactive Ni-based catalyst/oxygen carrier employed allows for the use of large particle sizes and high gas flowrates, offering potential for process intensification. |
publishDate |
2017 |
dc.date.none.fl_str_mv |
2017 |
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/10316/108140 http://hdl.handle.net/10316/108140 https://doi.org/10.3390/en10122056 |
url |
http://hdl.handle.net/10316/108140 https://doi.org/10.3390/en10122056 |
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 |
repository.mail.fl_str_mv |
|
_version_ |
1799134129145511936 |