Performance optimization in redox flow batteries: a computational approach
Autor(a) principal: | |
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Data de Publicação: | 2022 |
Tipo de documento: | Tese |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFSCAR |
Texto Completo: | https://repositorio.ufscar.br/handle/ufscar/15670 |
Resumo: | Redox flow batteries (RFBs) emerge as an alternative technology for the storage of energy on a large scale. The main characteristics of this type of device are related to its unique design, which provides scalability, decoupling between power and energy density, and the use of several types of active species. The more developed RFB to date is the all-vanadium redox flow battery (VRFB), which uses V2+/V3+ in one half-cell and VO2+(V(IV))/VO2+/(V(V)) in the other. Despite the advantages of this type of device, the VRFB still faces some drawbacks related to performance, which hinder its marketing penetration. Two of the most relevant problems are capacity loss and voltage loss. The capacity loss is caused by the non-ideal selectivity of the membrane, which allows the cross-contamination between the half-cells, leading to self-discharge reactions. The voltage loss is caused by overpotential that requires higher charging voltages and decreases the output voltage. Based on these problems, we propose a new computational method of approach to investigate the variables related to these problems and to suggest mitigation strategies to be further tested in real systems. Beyond the problems related to VRFBs, we also investigate the consequences of choosing different actives species in the performance of RFBs, based on this same method of approach. With this approach, we: (i) show how geometry influences the mitigation of overpotential and how geometric parameters interact with operating conditions; (ii) identify the operating conditions that affect the capacity loss and purpose a mitigation strategy based on the volume transfer between tanks in the reverse direction of net cross-contamination; and (iii) provide useful insights to understand how the choice of active species in RFBs is relevant to energy efficiency. Thus, we provide a set of theoretical backgrounds for experimentalists to understand the effects of several variables in the performance of redox flow batteries. |
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Pilonetto, Luis FelipeSouza, Ernesto Chaves Pereira dehttp://lattes.cnpq.br/1505400360366643http://lattes.cnpq.br/92516363181243642c43fb8d-5c97-4fc8-be99-19c2f25513942022-03-07T22:46:05Z2022-03-07T22:46:05Z2022-02-22PILONETTO, Luis Felipe. Performance optimization in redox flow batteries: a computational approach. 2022. Tese (Doutorado em Química) – Universidade Federal de São Carlos, São Carlos, 2022. Disponível em: https://repositorio.ufscar.br/handle/ufscar/15670.https://repositorio.ufscar.br/handle/ufscar/15670Redox flow batteries (RFBs) emerge as an alternative technology for the storage of energy on a large scale. The main characteristics of this type of device are related to its unique design, which provides scalability, decoupling between power and energy density, and the use of several types of active species. The more developed RFB to date is the all-vanadium redox flow battery (VRFB), which uses V2+/V3+ in one half-cell and VO2+(V(IV))/VO2+/(V(V)) in the other. Despite the advantages of this type of device, the VRFB still faces some drawbacks related to performance, which hinder its marketing penetration. Two of the most relevant problems are capacity loss and voltage loss. The capacity loss is caused by the non-ideal selectivity of the membrane, which allows the cross-contamination between the half-cells, leading to self-discharge reactions. The voltage loss is caused by overpotential that requires higher charging voltages and decreases the output voltage. Based on these problems, we propose a new computational method of approach to investigate the variables related to these problems and to suggest mitigation strategies to be further tested in real systems. Beyond the problems related to VRFBs, we also investigate the consequences of choosing different actives species in the performance of RFBs, based on this same method of approach. With this approach, we: (i) show how geometry influences the mitigation of overpotential and how geometric parameters interact with operating conditions; (ii) identify the operating conditions that affect the capacity loss and purpose a mitigation strategy based on the volume transfer between tanks in the reverse direction of net cross-contamination; and (iii) provide useful insights to understand how the choice of active species in RFBs is relevant to energy efficiency. Thus, we provide a set of theoretical backgrounds for experimentalists to understand the effects of several variables in the performance of redox flow batteries.As baterias de fluxo redox (RFBs) surgem como uma tecnologia alternativa para o armazenamento de energia em larga escala. As principais características deste tipo de dispositivo estão relacionadas ao seu design único, que proporciona escalabilidade, desacoplamento entre potência e densidade de energia e a utilização de diversos tipos de espécies ativas. A RFB mais desenvolvida até hoje é a bateria de fluxo redox de vanádio (VRFB), que usa V2+/V3+ em uma semi-célula e VO2+(V(IV))/VO2+/(V(V)) em outra. Apesar de suas vantagens, a VRFB enfrenta alguns desafios relacionados ao desempenho, o que dificulta sua penetração no mercado. Dois dos problemas mais relevantes são a perda de capacidade e a perda de voltagem. A perda de capacidade é causada pela seletividade não ideal da membrana, que permite a contaminação cruzada entre as semi-células, levando a reações de auto-descarga. A perda de voltagem é causada pelos sobrepotenciais, que exigem potenciais de carga mais altos e diminuem o potencial de saída. Com base nisso, propomos um método de abordagem para investigar as variáveis relacionadas a esses problemas e sugerir estratégias de mitigação a serem testadas em sistemas reais. Além dos problemas relacionados às VRFBs, também investigamos as consequências da escolha de diferentes espécies ativas no desempenho de RFBs. Com esta abordagem nós: (i) mostramos como a geometria influencia na mitigação dos sobrepotenciais ôhmico e de concentração e como os parâmetros geométricos interagem com as condições operacionais; (ii) identificamos as condições operacionais que afetam a perda de capacidade e propomos uma estratégia de mitigação baseada na transferência de volume entre tanques no sentido inverso da contaminação cruzada líquida; e (iii) fornecermos insights úteis para entender como a escolha de espécies ativas em RFBs é relevante para a eficiência energética. Desta forma, conseguimos fornecer um embasamento teórico profundo para os experimentalistas entenderem os efeitos de diversas variáveis no desempenho de baterias de fluxo redox.Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)2019/11095-9engUniversidade Federal de São CarlosCâmpus São CarlosPrograma de Pós-Graduação em Química - PPGQUFSCarAttribution-NonCommercial-NoDerivs 3.0 Brazilhttp://creativecommons.org/licenses/by-nc-nd/3.0/br/info:eu-repo/semantics/openAccessRedox flow batteryFinite element methodPerformance optimizationChemometricsCIENCIAS EXATAS E DA TERRA::QUIMICAPerformance optimization in redox flow batteries: a computational approachOtimização de desempenho em baterias de fluxo redox: uma abordagem computacionalinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesis60016229a12-027e-4f0e-96b0-518d49092280reponame:Repositório Institucional da UFSCARinstname:Universidade Federal de São Carlos (UFSCAR)instacron:UFSCARORIGINALtese_corrigida_Pilonetto.pdftese_corrigida_Pilonetto.pdfapplication/pdf10458611https://repositorio.ufscar.br/bitstream/ufscar/15670/5/tese_corrigida_Pilonetto.pdf7248c2e0f0f16d09b45f31862dc2e8daMD55carta_homologacao_tese.pdfcarta_homologacao_tese.pdfapplication/pdf159595https://repositorio.ufscar.br/bitstream/ufscar/15670/3/carta_homologacao_tese.pdf4b493335001bbe32889aa3e563e5fe4bMD53CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8811https://repositorio.ufscar.br/bitstream/ufscar/15670/6/license_rdfe39d27027a6cc9cb039ad269a5db8e34MD56TEXTtese_corrigida_Pilonetto.pdf.txttese_corrigida_Pilonetto.pdf.txtExtracted texttext/plain352433https://repositorio.ufscar.br/bitstream/ufscar/15670/7/tese_corrigida_Pilonetto.pdf.txta8bb12b20d2b47cdecdb3705402ff03bMD57carta_homologacao_tese.pdf.txtcarta_homologacao_tese.pdf.txtExtracted texttext/plain1398https://repositorio.ufscar.br/bitstream/ufscar/15670/9/carta_homologacao_tese.pdf.txta5dae4382ca22cb8b57e172a5b0dea92MD59THUMBNAILtese_corrigida_Pilonetto.pdf.jpgtese_corrigida_Pilonetto.pdf.jpgIM Thumbnailimage/jpeg23304https://repositorio.ufscar.br/bitstream/ufscar/15670/8/tese_corrigida_Pilonetto.pdf.jpg05740c07c8ca138a93408f6fe75f0afbMD58carta_homologacao_tese.pdf.jpgcarta_homologacao_tese.pdf.jpgIM Thumbnailimage/jpeg11501https://repositorio.ufscar.br/bitstream/ufscar/15670/10/carta_homologacao_tese.pdf.jpg44f015a91f6f80bbbd0b88af681a71e4MD510ufscar/156702023-09-18 18:32:27.023oai:repositorio.ufscar.br:ufscar/15670Repositório InstitucionalPUBhttps://repositorio.ufscar.br/oai/requestopendoar:43222023-09-18T18:32:27Repositório Institucional da UFSCAR - Universidade Federal de São Carlos (UFSCAR)false |
dc.title.eng.fl_str_mv |
Performance optimization in redox flow batteries: a computational approach |
dc.title.alternative.por.fl_str_mv |
Otimização de desempenho em baterias de fluxo redox: uma abordagem computacional |
title |
Performance optimization in redox flow batteries: a computational approach |
spellingShingle |
Performance optimization in redox flow batteries: a computational approach Pilonetto, Luis Felipe Redox flow battery Finite element method Performance optimization Chemometrics CIENCIAS EXATAS E DA TERRA::QUIMICA |
title_short |
Performance optimization in redox flow batteries: a computational approach |
title_full |
Performance optimization in redox flow batteries: a computational approach |
title_fullStr |
Performance optimization in redox flow batteries: a computational approach |
title_full_unstemmed |
Performance optimization in redox flow batteries: a computational approach |
title_sort |
Performance optimization in redox flow batteries: a computational approach |
author |
Pilonetto, Luis Felipe |
author_facet |
Pilonetto, Luis Felipe |
author_role |
author |
dc.contributor.authorlattes.por.fl_str_mv |
http://lattes.cnpq.br/9251636318124364 |
dc.contributor.author.fl_str_mv |
Pilonetto, Luis Felipe |
dc.contributor.advisor1.fl_str_mv |
Souza, Ernesto Chaves Pereira de |
dc.contributor.advisor1Lattes.fl_str_mv |
http://lattes.cnpq.br/1505400360366643 |
dc.contributor.authorID.fl_str_mv |
2c43fb8d-5c97-4fc8-be99-19c2f2551394 |
contributor_str_mv |
Souza, Ernesto Chaves Pereira de |
dc.subject.eng.fl_str_mv |
Redox flow battery Finite element method Performance optimization Chemometrics |
topic |
Redox flow battery Finite element method Performance optimization Chemometrics CIENCIAS EXATAS E DA TERRA::QUIMICA |
dc.subject.cnpq.fl_str_mv |
CIENCIAS EXATAS E DA TERRA::QUIMICA |
description |
Redox flow batteries (RFBs) emerge as an alternative technology for the storage of energy on a large scale. The main characteristics of this type of device are related to its unique design, which provides scalability, decoupling between power and energy density, and the use of several types of active species. The more developed RFB to date is the all-vanadium redox flow battery (VRFB), which uses V2+/V3+ in one half-cell and VO2+(V(IV))/VO2+/(V(V)) in the other. Despite the advantages of this type of device, the VRFB still faces some drawbacks related to performance, which hinder its marketing penetration. Two of the most relevant problems are capacity loss and voltage loss. The capacity loss is caused by the non-ideal selectivity of the membrane, which allows the cross-contamination between the half-cells, leading to self-discharge reactions. The voltage loss is caused by overpotential that requires higher charging voltages and decreases the output voltage. Based on these problems, we propose a new computational method of approach to investigate the variables related to these problems and to suggest mitigation strategies to be further tested in real systems. Beyond the problems related to VRFBs, we also investigate the consequences of choosing different actives species in the performance of RFBs, based on this same method of approach. With this approach, we: (i) show how geometry influences the mitigation of overpotential and how geometric parameters interact with operating conditions; (ii) identify the operating conditions that affect the capacity loss and purpose a mitigation strategy based on the volume transfer between tanks in the reverse direction of net cross-contamination; and (iii) provide useful insights to understand how the choice of active species in RFBs is relevant to energy efficiency. Thus, we provide a set of theoretical backgrounds for experimentalists to understand the effects of several variables in the performance of redox flow batteries. |
publishDate |
2022 |
dc.date.accessioned.fl_str_mv |
2022-03-07T22:46:05Z |
dc.date.available.fl_str_mv |
2022-03-07T22:46:05Z |
dc.date.issued.fl_str_mv |
2022-02-22 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/doctoralThesis |
format |
doctoralThesis |
status_str |
publishedVersion |
dc.identifier.citation.fl_str_mv |
PILONETTO, Luis Felipe. Performance optimization in redox flow batteries: a computational approach. 2022. Tese (Doutorado em Química) – Universidade Federal de São Carlos, São Carlos, 2022. Disponível em: https://repositorio.ufscar.br/handle/ufscar/15670. |
dc.identifier.uri.fl_str_mv |
https://repositorio.ufscar.br/handle/ufscar/15670 |
identifier_str_mv |
PILONETTO, Luis Felipe. Performance optimization in redox flow batteries: a computational approach. 2022. Tese (Doutorado em Química) – Universidade Federal de São Carlos, São Carlos, 2022. Disponível em: https://repositorio.ufscar.br/handle/ufscar/15670. |
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https://repositorio.ufscar.br/handle/ufscar/15670 |
dc.language.iso.fl_str_mv |
eng |
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eng |
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600 |
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16229a12-027e-4f0e-96b0-518d49092280 |
dc.rights.driver.fl_str_mv |
Attribution-NonCommercial-NoDerivs 3.0 Brazil http://creativecommons.org/licenses/by-nc-nd/3.0/br/ info:eu-repo/semantics/openAccess |
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Attribution-NonCommercial-NoDerivs 3.0 Brazil http://creativecommons.org/licenses/by-nc-nd/3.0/br/ |
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openAccess |
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Universidade Federal de São Carlos Câmpus São Carlos |
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Programa de Pós-Graduação em Química - PPGQ |
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UFSCar |
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Universidade Federal de São Carlos Câmpus São Carlos |
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