| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Hamad, Said
Universidad Pablo de Olavide
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2024Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysis: Band gap tuning: Via iron substitutions
- 2022Thermostructural Characterization of Silicon Carbide Nanocomposite Materials via Molecular Dynamics Simulationscitations
- 2022Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesiscitations
- 2018Electronic structure of porphyrin-based metal– organic frameworks and their suitability for solar fuel production photocatalysis
- 2018Role of Ionic Liquid [EMIM]+[SCN]- in the Adsorption and Diffusion of Gases in Metal-Organic Frameworkscitations
- 2017Selective sulfur dioxide adsorption on crystal defect sites on an isoreticular metal organic framework seriescitations
- 2017Porphyrin-based metal-organic frameworks for solar fuel synthesis photocatalysiscitations
- 2015Electronic structure of porphyrin-based metal-organic frameworks and their suitability for solar fuel production photocatalysiscitations
- 2015Thermostructural behaviour of Ni-Cr materialscitations
- 2015Ultraviolet pretreatment of titanium dioxide and tin-doped indium oxide surfaces as a promoter of the adsorption of organic molecules in dry deposition processes: light patterning of organic nanowirescitations
- 2015Ultraviolet pretreatment of titanium dioxide and tin-doped indium oxide surfaces as a promoter of the adsorption of organic molecules in dry deposition processes: light patterning of organic nanowirescitations
Places of action
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article
Role of Ionic Liquid [EMIM]+[SCN]- in the Adsorption and Diffusion of Gases in Metal-Organic Frameworks
Abstract
<p>We study the adsorption performance of metal-organic frameworks (MOFs) impregnated of ionic liquids (ILs). To this aim we calculated adsorption and diffusion of light gases (CO<sub>2</sub>, CH<sub>4</sub>, N<sub>2</sub>) and their mixtures in hybrid composites using molecular simulations. The hybrid composites consist of 1-ethyl-3-methylimidazolium thiocyanate impregnated in IRMOF-1, HMOF-1, MIL-47, and MOF-1. We found that the increase of the amount of IL enhances the adsorption selectivity in favor of carbon dioxide for the mixtures CO<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/N<sub>2</sub> and in favor of methane in the mixture CH<sub>4</sub>/N<sub>2</sub>. We also provide detailed analysis of the microscopic organization of ILs and adsorbates via radial distribution functions and average occupation profiles and study the impact of the ILs in the diffusion of the adsorbates inside the pores of the MOFs. Based on our findings, we discuss the advantages of using IL/MOF composites for gas adsorption to increase the adsorption of gases and to control the pore sizes of the structures to foster selective adsorption.</p>