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Evaluation of Anion Effect on the Solubility of Hydrogen Sulfide in Ionic Liquids Using Molecular Dynamics Simulation.
- Source :
-
Theoretical Foundations of Chemical Engineering . 2020, Vol. 54 Issue 5, p949-960. 12p. - Publication Year :
- 2020
-
Abstract
- In this study the solubility of Hydrogen Sulfide (H2S) in four ionic liquids: 1-Ethyl-3-methylimidazoliom Hexafluorophosphate [Emim][PF6], 1-Ethyl-3-ethylimidazolium Tetrafluoroborate [Emim][BF4], 1-Ethyl-3-methylimidazolium Trifluromethanesulfonate [Emim][OTf] and 1-Ethyl-3-methylimidazolium Bistrifluoromethylsulfonilimide [Emim][NTf2] at temperature 343.15 K and relevant pressure has been simulated and the accuracy of obtained data compared to experimental ones. By comparing the radial distribution function of the [Emim]+-based ionic liquids with above-mentioned anions, it is found that the existence of H2S impacts the interactions between anion and cation and also the most appropriate anion among those, is [NTf2] which can properly solve H2S in its own. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00405795
- Volume :
- 54
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Theoretical Foundations of Chemical Engineering
- Publication Type :
- Academic Journal
- Accession number :
- 147606141
- Full Text :
- https://doi.org/10.1134/S0040579520050413