Harnessing Halogenated Zeolitic Imidazolate Frameworks for Alcohol Vapor Adsorption
This study explores Zeolitic Imidazolate Frameworks (ZIFs) as promising materials for adsorbing alcohol vapors, one of the main contributors to air quality deterioration and adverse health effects. Indeed, this sub-class of Metal–Organic Frameworks (MOFs) offers a promising alternative to convention...
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MDPI AG
2024-12-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/29/24/5825 |
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| author | Kevin Dedecker Martin Drobek Anne Julbe |
| author_facet | Kevin Dedecker Martin Drobek Anne Julbe |
| author_sort | Kevin Dedecker |
| collection | DOAJ |
| description | This study explores Zeolitic Imidazolate Frameworks (ZIFs) as promising materials for adsorbing alcohol vapors, one of the main contributors to air quality deterioration and adverse health effects. Indeed, this sub-class of Metal–Organic Frameworks (MOFs) offers a promising alternative to conventional adsorbents like zeolites and activated carbons for air purification. Specifically, this investigation focuses on ZIF-8_Br, a brominated version of ZIF-8_CH<sub>3</sub>, to evaluate its ability to capture aliphatic alcohols at lower partial pressures. The adsorption properties have been investigated using both experimental and computational methods combining Density Functional Theory and Grand Canonical Monte Carlo simulations. The Ideal Adsorbed Solution Theory (IAST) has been used to assess the material selectivity in the presence of binary equimolar alcohol mixtures. Compared to ZIF-8_CH<sub>3</sub>, the brominated analog has been shown to feature a higher affinity for alcohols, a property that could be advantageously exploited in environmental remediation or in the development of membranes for alcohol vapor sensors. |
| format | Article |
| id | doaj-art-3e5ce56f5e4d4e9e9bf96d9adc9065eb |
| institution | Kabale University |
| issn | 1420-3049 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | MDPI AG |
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| series | Molecules |
| spelling | doaj-art-3e5ce56f5e4d4e9e9bf96d9adc9065eb2024-12-27T14:42:22ZengMDPI AGMolecules1420-30492024-12-012924582510.3390/molecules29245825Harnessing Halogenated Zeolitic Imidazolate Frameworks for Alcohol Vapor AdsorptionKevin Dedecker0Martin Drobek1Anne Julbe2Institut Européen des Membranes (IEM), CNRS, ENSCM, Univ Montpellier, Place Eugène Bataillon, 34095 Montpellier, FranceInstitut Européen des Membranes (IEM), CNRS, ENSCM, Univ Montpellier, Place Eugène Bataillon, 34095 Montpellier, FranceInstitut Européen des Membranes (IEM), CNRS, ENSCM, Univ Montpellier, Place Eugène Bataillon, 34095 Montpellier, FranceThis study explores Zeolitic Imidazolate Frameworks (ZIFs) as promising materials for adsorbing alcohol vapors, one of the main contributors to air quality deterioration and adverse health effects. Indeed, this sub-class of Metal–Organic Frameworks (MOFs) offers a promising alternative to conventional adsorbents like zeolites and activated carbons for air purification. Specifically, this investigation focuses on ZIF-8_Br, a brominated version of ZIF-8_CH<sub>3</sub>, to evaluate its ability to capture aliphatic alcohols at lower partial pressures. The adsorption properties have been investigated using both experimental and computational methods combining Density Functional Theory and Grand Canonical Monte Carlo simulations. The Ideal Adsorbed Solution Theory (IAST) has been used to assess the material selectivity in the presence of binary equimolar alcohol mixtures. Compared to ZIF-8_CH<sub>3</sub>, the brominated analog has been shown to feature a higher affinity for alcohols, a property that could be advantageously exploited in environmental remediation or in the development of membranes for alcohol vapor sensors.https://www.mdpi.com/1420-3049/29/24/5825zeolitic imidazolate frameworkvolatile organic compoundsalcoholadsorptionseparationhalogenated |
| spellingShingle | Kevin Dedecker Martin Drobek Anne Julbe Harnessing Halogenated Zeolitic Imidazolate Frameworks for Alcohol Vapor Adsorption Molecules zeolitic imidazolate framework volatile organic compounds alcohol adsorption separation halogenated |
| title | Harnessing Halogenated Zeolitic Imidazolate Frameworks for Alcohol Vapor Adsorption |
| title_full | Harnessing Halogenated Zeolitic Imidazolate Frameworks for Alcohol Vapor Adsorption |
| title_fullStr | Harnessing Halogenated Zeolitic Imidazolate Frameworks for Alcohol Vapor Adsorption |
| title_full_unstemmed | Harnessing Halogenated Zeolitic Imidazolate Frameworks for Alcohol Vapor Adsorption |
| title_short | Harnessing Halogenated Zeolitic Imidazolate Frameworks for Alcohol Vapor Adsorption |
| title_sort | harnessing halogenated zeolitic imidazolate frameworks for alcohol vapor adsorption |
| topic | zeolitic imidazolate framework volatile organic compounds alcohol adsorption separation halogenated |
| url | https://www.mdpi.com/1420-3049/29/24/5825 |
| work_keys_str_mv | AT kevindedecker harnessinghalogenatedzeoliticimidazolateframeworksforalcoholvaporadsorption AT martindrobek harnessinghalogenatedzeoliticimidazolateframeworksforalcoholvaporadsorption AT annejulbe harnessinghalogenatedzeoliticimidazolateframeworksforalcoholvaporadsorption |