Superior Performance of Mesoporous MOF MIL-100 (Fe) Impregnated with Ionic Liquids for CO2 Adsorption

We present molecular simulations of gases in mesoporous MOF MIL-100­(Fe) impregnated with ionic liquids [Bmim+]­[PF6 –] and [Bmim+]­[Tf2N–]. Adsorption of pure carbon dioxide, methane, nitrogen, and typical mixtures found in flue gases and natural gas are studied. Increases in CO2 adsorption, sittin...

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Bibliographic Details
Published in:Journal of chemical and engineering data 2019-05, Vol.64 (5), p.2221-2228
Main Authors: Oliveira, Leon T, Gonçalves, Rafael V, Gonçalves, Daniel V, de Azevedo, Diana Cristina S, Pereira de Lucena, Sebastiao Mardonio
Format: Article
Language:English
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Summary:We present molecular simulations of gases in mesoporous MOF MIL-100­(Fe) impregnated with ionic liquids [Bmim+]­[PF6 –] and [Bmim+]­[Tf2N–]. Adsorption of pure carbon dioxide, methane, nitrogen, and typical mixtures found in flue gases and natural gas are studied. Increases in CO2 adsorption, sitting, and selectivity were investigated to provide an impregnation alternative in a stable material that could be experimentally successful. The presence of ionic liquids, in particular [Bmim+]­[SCN–], increases CO2 uptake within the pressure range up to 2000 kPa, which is unprecedented for impregnated MOF structures. We found that the impregnation of the mesoporous MOF structure doubles CO2 adsorbed concentration and selectivities (CO2/CH4 and CO2/N2) at ambient temperature and low pressure range (
ISSN:0021-9568
1520-5134
DOI:10.1021/acs.jced.8b01177