Efficient fatty acid esterification using silica supported Brønsted acidic ionic liquid catalyst: Experimental study and DFT modeling
| Autor: | Majid Vafaeezadeh, Mohammad Mahmoodi Hashemi |
|---|---|
| Rok vydání: | 2014 |
| Předmět: |
inorganic chemicals
chemistry.chemical_classification Ethanol Silica gel General Chemical Engineering Inorganic chemistry Fatty acid General Chemistry Heterogeneous catalysis Industrial and Manufacturing Engineering Catalysis law.invention chemistry.chemical_compound chemistry law Ionic liquid Environmental Chemistry Density functional theory Filtration |
| Zdroj: | Chemical Engineering Journal. 250:35-41 |
| ISSN: | 1385-8947 |
| DOI: | 10.1016/j.cej.2014.04.001 |
| Popis: | A task-specific Bronsted acidic ionic liquid (BAIL), 1-benzyl-3-methylimidazolium hydrogensulfate ([BnMIm]HSO4), was prepared and confined onto the high surface area silica gel. The catalyst has shown extraordinary activity in comparison of homogeneous ionic liquid (IL) system for Fischer esterification of fatty acid with ethanol. The ester derivatives were synthesized in high yields and catalyst was easily separated from the reaction mixture by simple filtration. The structure of the catalyst is theoretically modelized to investigate the unusual catalytic activity. Hence, a hydroxylated cage-like nano-cluster, H6Si8O12(OH)2, was selected to mimic the surface of silica gel. The interactions between the IL and this cluster have been studied using density functional theory (DFT) calculations. DFT modeling indicates that the acidity of the supported [BnMIm]HSO4 is higher than the homogeneous BAIL system. |
| Databáze: | OpenAIRE |
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