Industrial & Engineering Chemistry Research · 2010 · 104 citations · 49 references
EngineeringChemical EngineeringChemistryEnhanced Oil RecoveryReaction EngineeringSeparation ScienceChemical Enhanced Oil RecoveryExtraction TechniquesSolvent ExtractionAb Initio CalculationsAb Initio Molecular CalculationsExtraction Of Organic CompoundsIonic Liquid ExtractionIonic Liquid-based SeparationOil ExtractionOxidative DesulfurizationSulfur Compound Extraction
In this work, the extractive and oxidative deep desulfurizations of model fuel oils using a low-viscosity ionic liquid, i.e., 1-ethyl-3-methylimidazolium dicyanamide ([C 2 mim][N(CN) 2 ]), are investigated. [C 2 mim][N(CN) 2 ] is capable of effectively extracting thiophene (TS) and dibenzothiophene (DBT) from oils. The sulfur content in the raffinate phases is only ∼10 ppm after a few extraction steps. A short extraction equilibrium time of <5 min is observed. The extraction operation is insensitive to temperature, and it can be effectively performed at or around room temperature. Unexpectedly, the oxidative removal of DBT by such a dicyanamide-based ionic liquid is not effective and is not as good as the corresponding extraction operation. Such an undesirable oxidative desulfurization is understood at a molecular level from ab initio calculations, and it may be ascribed to the strong intermolecular interaction between CH 3 COOH or CH 3 COOOH and [C 2 mim][N(CN) 2 ] phase. Therefore, such a dicyanamide-based ionic liquid is efficient for direct extractive desulfurization, while it is less efficient for oxidative desulfurization.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Note on an Approximation Treatment for Many-Electron Systems
CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations