Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Application of 1-pentyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide for desulfurization, denitrification and dearomatization of FCC gasoline

Rogosic, M.[Marko], Sander, A.[Aleksandra], Pantaler, M.[Martina]
J. Chem. Thermodyn. 2014, 76, 1-15
ABSTRACT
Liquid liquid equilibria for the three-component systems with ionic liquid [C5mim][Tf2N] (pyridine or thiophene) hydrocarbon (toluene or n-hexane or n-heptane or i-octane) were determined at T = 298.15 K and atmospheric pressure. In addition, the applicability of [C5mim][Tf2N] as selective solvent for desulfurization, denitrification and dearomatization of a model six-component hydrocarbon solution as well as real refinery FCC gasoline was investigated on the laboratory scale. The equilibrium data in three-component and seven-component (model solution + ionic liquid) systems were well described with NRTL and UNIQUAC models. The suitability of ionic liquid for extractive desulfurization and denitrification was evaluated in terms of solute distribution ratio and selectivity, as well as extraction effectiveness.
Compounds
# Formula Name
1 C11H17F6N3O4S2 1-methyl-3-pentylimidazolium bis(trifluoromethylsulfonyl)imide
2 C6H14 hexane
3 C7H16 heptane
4 C8H18 2,2,4-trimethylpentane
5 C7H8 toluene
6 C5H5N pyridine
7 C4H4S thiophene
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 2
  • 6
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 28
  • POMD
  • 2
  • 6
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 8
  • POMD
  • 6
  • 3
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 29
  • POMD
  • 6
  • 3
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 6
  • 4
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 37
  • POMD
  • 6
  • 4
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 6
  • POMD
  • 5
  • 6
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 13
  • POMD
  • 5
  • 6
  • 1
  • Mass fraction - 6 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 5
  • POMD
  • 7
  • 2
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 29
  • POMD
  • 7
  • 2
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 9
  • POMD
  • 7
  • 3
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 26
  • POMD
  • 7
  • 3
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 8
  • POMD
  • 7
  • 4
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 21
  • POMD
  • 7
  • 4
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 7
  • POMD
  • 5
  • 7
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 26
  • POMD
  • 5
  • 7
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 7 ; Liquid mixture 1
  • Mass fraction - 7; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Index of refraction calibration data
  • Index of refraction calibration data
  • Index of refraction calibration data
  • 8
  • POMD
  • 2
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 3
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 4
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 5
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1
  • POMD
  • 7
  • 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 1