Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Extraction desulfurization process of fuels with ionic liquids

Domanska, U.[Urszula], Walczak, K.[Klaudia], Krolikowski, M.[Marek]
J. Chem. Thermodyn. 2014, 77, 40-45
ABSTRACT
In this work, we studied the applicability of three ionic liquids (ILs) in the extraction of thiophene, or benzothiophene from heptane at T = 308.15 K and ambient pressure. Experimental data for (liquid + liquid) phase equilibrium (LLE) were obtained for five ternary systems. The 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate, [BMPYR][CF3SO3], 1-butyl-1-methylpyrrolidinium tricyanomethanide, [BMPYR][TCM] and 1-hexyl-3-methylimidazolium tetracyanoborate, [HMIM][TCB] were used for the desulfurization process. The [BMPYR][CF3SO3] showed much better selectivity than [HMIM][TCB] in the extraction of thiophene from heptane and all of them showed excellent results in terms of benzothiophene selectivity and distribution ratio compared to what is currently published for different ILs. Chromatography analysis showed that IL was not present in the heptane layer. This eliminates the process of the separation of the solvent from the raffinate layer. The data obtained have been correlated with the non-random two liquid NRTL model. The experimental tie-lines and the phase composition in mole fraction in the ternary systems were calculated with an average root mean square deviation (RMSD) of 0.005.
Compounds
# Formula Name
1 C10H20F3NO3S 1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate
2 C13H20N4 1-butyl-1-methylpyrrolidinium tricyanomethanide
3 C14H19BN6 1-hexyl-3-methylimidazolium tetracyanoborate
4 C4H4S thiophene
5 C8H6S benzo[b]thiophene
6 C7H16 heptane
7 C3H8O propan-1-ol
8 C3H6O acetone
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
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 3
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • 6
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 12
  • POMD
  • 5
  • 6
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 5 ; Liquid mixture 2
  • Mole fraction - 5; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 13
  • POMD
  • 5
  • 6
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 11
  • POMD
  • 4
  • 6
  • 3
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 12
  • POMD
  • 5
  • 6
  • 3
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 5 ; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 11
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 4
  • 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 6
  • 2
  • Mole fraction - 2 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 6
  • 3
  • Mole fraction - 3 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 4
  • 3
  • Mole fraction - 4 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 5
  • 3
  • Mole fraction - 5 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1