CO Adsorption on Ionic Liquid—Modified Cu-BTC: Experimental and Simulation Study
We analyzed the adsorption of CO 2 in a Cu-BTC metal-organic framework (MOF) impregnated with ionic liquids (ILs) experimentally and by molecular simulation using the Monte Carlo method. The ILs [bmim][PF 6 ] and [bmim][Tf 2 N] were impregnated in concentrations of 1, 5 and 10 wt%. Monte Carlo compu...
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| Format: | Article |
| Language: | English |
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SAGE Publishing
2015-02-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/0263-6174.33.2.223 |
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| author | F.W.M. da Silva G.M. Magalhães E.O. Jardim J. Silvestre-Albero A. Sepúlveda-Escribano D.C.S. de Azevedo S.M.P. de Lucena |
| author_facet | F.W.M. da Silva G.M. Magalhães E.O. Jardim J. Silvestre-Albero A. Sepúlveda-Escribano D.C.S. de Azevedo S.M.P. de Lucena |
| author_sort | F.W.M. da Silva |
| collection | DOAJ |
| description | We analyzed the adsorption of CO 2 in a Cu-BTC metal-organic framework (MOF) impregnated with ionic liquids (ILs) experimentally and by molecular simulation using the Monte Carlo method. The ILs [bmim][PF 6 ] and [bmim][Tf 2 N] were impregnated in concentrations of 1, 5 and 10 wt%. Monte Carlo computations showed maximum impregnation load of approximately 30 wt% and improved CO 2 adsorption up to 2 bar for all the concentrations tested. Experimentally, the impregnated material was carefully characterized and CO 2 isotherms were measured. High concentrations of IL solution (10 wt%) had a pronounced detrimental effect on the textural properties of Cu-BTC, whereas for low concentration (5 wt%), no improvement in CO 2 adsorption was observed. Based on the experimental and simulated data, the suitability of Cu-BTC as a target MOF for IL impregnation was examined. |
| format | Article |
| id | doaj-art-6a54738fb74d408499f5db909e8514fc |
| institution | Kabale University |
| issn | 0263-6174 2048-4038 |
| language | English |
| publishDate | 2015-02-01 |
| publisher | SAGE Publishing |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj-art-6a54738fb74d408499f5db909e8514fc2025-01-02T22:37:22ZengSAGE PublishingAdsorption Science & Technology0263-61742048-40382015-02-013310.1260/0263-6174.33.2.223CO Adsorption on Ionic Liquid—Modified Cu-BTC: Experimental and Simulation StudyF.W.M. da Silva0G.M. Magalhães1E.O. Jardim2J. Silvestre-Albero3A. Sepúlveda-Escribano4D.C.S. de Azevedo5S.M.P. de Lucena6 Grupo de Pesquisa em Separações por Adsorção (GPSA), Departamento de Engenharia Química, Universidade Federal do Cearà, Campus do PICI, Fortaleza, Brasil Grupo de Pesquisa em Separações por Adsorção (GPSA), Departamento de Engenharia Química, Universidade Federal do Cearà, Campus do PICI, Fortaleza, Brasil Laboratorio de Materiales Avanzados, Departamento de Química Inorgánica, Instituto Universitario de Materiales de Alicante, Universidad de Alicante, Apartado 99, E-03080 Alicante, Spain Laboratorio de Materiales Avanzados, Departamento de Química Inorgánica, Instituto Universitario de Materiales de Alicante, Universidad de Alicante, Apartado 99, E-03080 Alicante, Spain Laboratorio de Materiales Avanzados, Departamento de Química Inorgánica, Instituto Universitario de Materiales de Alicante, Universidad de Alicante, Apartado 99, E-03080 Alicante, Spain Grupo de Pesquisa em Separações por Adsorção (GPSA), Departamento de Engenharia Química, Universidade Federal do Cearà, Campus do PICI, Fortaleza, Brasil Grupo de Pesquisa em Separações por Adsorção (GPSA), Departamento de Engenharia Química, Universidade Federal do Cearà, Campus do PICI, Fortaleza, BrasilWe analyzed the adsorption of CO 2 in a Cu-BTC metal-organic framework (MOF) impregnated with ionic liquids (ILs) experimentally and by molecular simulation using the Monte Carlo method. The ILs [bmim][PF 6 ] and [bmim][Tf 2 N] were impregnated in concentrations of 1, 5 and 10 wt%. Monte Carlo computations showed maximum impregnation load of approximately 30 wt% and improved CO 2 adsorption up to 2 bar for all the concentrations tested. Experimentally, the impregnated material was carefully characterized and CO 2 isotherms were measured. High concentrations of IL solution (10 wt%) had a pronounced detrimental effect on the textural properties of Cu-BTC, whereas for low concentration (5 wt%), no improvement in CO 2 adsorption was observed. Based on the experimental and simulated data, the suitability of Cu-BTC as a target MOF for IL impregnation was examined.https://doi.org/10.1260/0263-6174.33.2.223 |
| spellingShingle | F.W.M. da Silva G.M. Magalhães E.O. Jardim J. Silvestre-Albero A. Sepúlveda-Escribano D.C.S. de Azevedo S.M.P. de Lucena CO Adsorption on Ionic Liquid—Modified Cu-BTC: Experimental and Simulation Study Adsorption Science & Technology |
| title | CO Adsorption on Ionic Liquid—Modified Cu-BTC: Experimental and Simulation Study |
| title_full | CO Adsorption on Ionic Liquid—Modified Cu-BTC: Experimental and Simulation Study |
| title_fullStr | CO Adsorption on Ionic Liquid—Modified Cu-BTC: Experimental and Simulation Study |
| title_full_unstemmed | CO Adsorption on Ionic Liquid—Modified Cu-BTC: Experimental and Simulation Study |
| title_short | CO Adsorption on Ionic Liquid—Modified Cu-BTC: Experimental and Simulation Study |
| title_sort | co adsorption on ionic liquid modified cu btc experimental and simulation study |
| url | https://doi.org/10.1260/0263-6174.33.2.223 |
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