Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibrium data for extractive desulfurization using 1-butyl-3-methyl imidazolium thiocyanate, n-alkane and thiophene

Mafi, Morteza, Dehghani, Mohammad Reza, Mokhtarani, Babak
Fluid Phase Equilib. 2018, 456, 109-115
ABSTRACT
The experimental liquid-liquid equilibrium (LLE) data for three ternary mixtures containing an ionic liquid (IL) (1-butyl-3-methyl imidazolium thiocyanate [Bmim][SCN]), alkane models (n-hexane, n-octane and n-decane) and sulfur compound (thiophene) have been measured experimentally. Distribution and selectivity coefficients have been calculated using experimental data. The LLE data have been obtained at 25 deg C and ambient pressure. The experimental LLE data of ternary mixtures have been compared with our previous works, it has been shown that the IL with higher molecular weight of cation has higher solute distribution and lower selectivity coefficients. It has been found that the solubility decreases as the cation length decreases, meanwhile ILs cation chain length has a remarkable effect on solubility of alkane model. Moreover, the experimental data have been demonstrated that the selectivity decreases as alkane chain length of alkane model decreases while the solubility of alkane models in the ILs increases, hence the removal costs of aromatic sulfur components will be increased. The results show that [Bmim][SCN] has the lowest alkane solubility and highest selectivity coefficient, in the system containing n-decane and thiophene. A comparative study reveals that compared to other ILs, [Bmim][SCN] is a more suitable solvent. Finally, the experimental data have been correlated utilizing nonrandomness two liquid (NRTL) model. The binary energy parameters were obtained, it can be seen that the model can correlate the experimental data efficiently.
Compounds
# Formula Name
1 C6H14 hexane
2 C8H18 octane
3 C10H22 decane
4 C4H4S thiophene
5 C9H15N3S 1-butyl-3-methylimidazolium thiocyanate
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
  • 5
  • 1
  • 4
  • 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
  • 9
  • POMD
  • 5
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 10
  • POMD
  • 5
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 13