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...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
SAGE Publications
2015-02-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/0263-6174.33.2.223 |
| Summary: | 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. |
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| ISSN: | 0263-6174 2048-4038 |