Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8
Autor(a) principal: | |
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Data de Publicação: | 2020 |
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/10198/20798 |
Resumo: | Single, quinary and septenary fixed bed breakthrough experiments of pentane (nC5/iC5) and hexane (nC6/2MP/3MP/23DMB/22DMB) isomers were performed in shaped zeolitic imidazolate metal organic framework ZIF-8. Adsorption equilibrium isotherms for linear nC5 and nC6 were measured from the single component breakthrough curves covering the temperature range between 373 and 473 K and partial pressures up to 50 kPa. The equimolar septenary (nC5/iC5/nC6/2MP/3MP/23DMB/22DMB) and quinary (iC5/2MP/3MP/23DMB/22DMB) studies were performed at the same temperature range and total hydrocarbon pressure of 25 kPa. In the septenary experiments the following sorption hierarchy was observed: nC6 > nC5 > 2MP > 3MP > iC5 > 23DMB > 22DMB. Results also show that the sorption of the linear nC5 and nC6 is dominated by equilibrium in contrast with the sorption of branched isomers which is kinetically controlled. The quinary experiments with C5/C6 branched paraffins evidences the partially separation by classes of mono- and di-branched isomers. The equilibrium data were modelled by the Sips isotherm and the fitted parameters were used to simulate the breakthrough data through a mathematical model developed in a Matlab code using the method of lines (MOL). In the numerical simulations equal diffusivities constants (Dc/rc2) for linear nC5/nC6 were used, being it 0.002 s−1 at 373 K, which is a value 100 times higher than its respective value for the mono-branched isomers iC5, 2MP and 3MP, and 300 times higher than for the di-branched hexane isomer 22DMB. It is also shown the effect of the residence time of the gas regarding the fixed bed separation of the pentane and hexane isomers, from where it is clear that increasing the residence time improves the separation between the compounds. |
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Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8Pentane/hexane isomersMOF ZIF-8Fixed bed adsorptionBreakthrough curvesNumerical modellingSingle, quinary and septenary fixed bed breakthrough experiments of pentane (nC5/iC5) and hexane (nC6/2MP/3MP/23DMB/22DMB) isomers were performed in shaped zeolitic imidazolate metal organic framework ZIF-8. Adsorption equilibrium isotherms for linear nC5 and nC6 were measured from the single component breakthrough curves covering the temperature range between 373 and 473 K and partial pressures up to 50 kPa. The equimolar septenary (nC5/iC5/nC6/2MP/3MP/23DMB/22DMB) and quinary (iC5/2MP/3MP/23DMB/22DMB) studies were performed at the same temperature range and total hydrocarbon pressure of 25 kPa. In the septenary experiments the following sorption hierarchy was observed: nC6 > nC5 > 2MP > 3MP > iC5 > 23DMB > 22DMB. Results also show that the sorption of the linear nC5 and nC6 is dominated by equilibrium in contrast with the sorption of branched isomers which is kinetically controlled. The quinary experiments with C5/C6 branched paraffins evidences the partially separation by classes of mono- and di-branched isomers. The equilibrium data were modelled by the Sips isotherm and the fitted parameters were used to simulate the breakthrough data through a mathematical model developed in a Matlab code using the method of lines (MOL). In the numerical simulations equal diffusivities constants (Dc/rc2) for linear nC5/nC6 were used, being it 0.002 s−1 at 373 K, which is a value 100 times higher than its respective value for the mono-branched isomers iC5, 2MP and 3MP, and 300 times higher than for the di-branched hexane isomer 22DMB. It is also shown the effect of the residence time of the gas regarding the fixed bed separation of the pentane and hexane isomers, from where it is clear that increasing the residence time improves the separation between the compounds.ElsevierBiblioteca Digital do IPBHenrique, AdrianoRodrigues, AlírioSilva, José A.C.2020-03-03T11:24:20Z20202020-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10198/20798engHenrique, Adriano; Rodrigues, A.E.; Silva, José A.C. (2020). Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8. Separation and Purification Technology. Elsevier. ISSN 1383-5866.1383-5866https://doi.org/10.1016/j.seppur.2019.116419info: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:RCAAP2023-11-21T10:47:07Zoai:bibliotecadigital.ipb.pt:10198/20798Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T23:11:43.977620Repositório 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 |
Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8 |
title |
Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8 |
spellingShingle |
Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8 Henrique, Adriano Pentane/hexane isomers MOF ZIF-8 Fixed bed adsorption Breakthrough curves Numerical modelling |
title_short |
Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8 |
title_full |
Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8 |
title_fullStr |
Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8 |
title_full_unstemmed |
Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8 |
title_sort |
Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8 |
author |
Henrique, Adriano |
author_facet |
Henrique, Adriano Rodrigues, Alírio Silva, José A.C. |
author_role |
author |
author2 |
Rodrigues, Alírio Silva, José A.C. |
author2_role |
author author |
dc.contributor.none.fl_str_mv |
Biblioteca Digital do IPB |
dc.contributor.author.fl_str_mv |
Henrique, Adriano Rodrigues, Alírio Silva, José A.C. |
dc.subject.por.fl_str_mv |
Pentane/hexane isomers MOF ZIF-8 Fixed bed adsorption Breakthrough curves Numerical modelling |
topic |
Pentane/hexane isomers MOF ZIF-8 Fixed bed adsorption Breakthrough curves Numerical modelling |
description |
Single, quinary and septenary fixed bed breakthrough experiments of pentane (nC5/iC5) and hexane (nC6/2MP/3MP/23DMB/22DMB) isomers were performed in shaped zeolitic imidazolate metal organic framework ZIF-8. Adsorption equilibrium isotherms for linear nC5 and nC6 were measured from the single component breakthrough curves covering the temperature range between 373 and 473 K and partial pressures up to 50 kPa. The equimolar septenary (nC5/iC5/nC6/2MP/3MP/23DMB/22DMB) and quinary (iC5/2MP/3MP/23DMB/22DMB) studies were performed at the same temperature range and total hydrocarbon pressure of 25 kPa. In the septenary experiments the following sorption hierarchy was observed: nC6 > nC5 > 2MP > 3MP > iC5 > 23DMB > 22DMB. Results also show that the sorption of the linear nC5 and nC6 is dominated by equilibrium in contrast with the sorption of branched isomers which is kinetically controlled. The quinary experiments with C5/C6 branched paraffins evidences the partially separation by classes of mono- and di-branched isomers. The equilibrium data were modelled by the Sips isotherm and the fitted parameters were used to simulate the breakthrough data through a mathematical model developed in a Matlab code using the method of lines (MOL). In the numerical simulations equal diffusivities constants (Dc/rc2) for linear nC5/nC6 were used, being it 0.002 s−1 at 373 K, which is a value 100 times higher than its respective value for the mono-branched isomers iC5, 2MP and 3MP, and 300 times higher than for the di-branched hexane isomer 22DMB. It is also shown the effect of the residence time of the gas regarding the fixed bed separation of the pentane and hexane isomers, from where it is clear that increasing the residence time improves the separation between the compounds. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020-03-03T11:24:20Z 2020 2020-01-01T00:00:00Z |
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/10198/20798 |
url |
http://hdl.handle.net/10198/20798 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Henrique, Adriano; Rodrigues, A.E.; Silva, José A.C. (2020). Fixed bed dynamics of single and multicomponent adsorption of pentane and hexane isomers in ZIF-8. Separation and Purification Technology. Elsevier. ISSN 1383-5866. 1383-5866 https://doi.org/10.1016/j.seppur.2019.116419 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Elsevier |
publisher.none.fl_str_mv |
Elsevier |
dc.source.none.fl_str_mv |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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