Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and correlation of liquid liquid equilibria and partition coefficients of benzothyophene and benzothyophene 1,1-dioxide for acetonitrile + n-octane system

Furuya, T.[Takeshi], Yamagami, S.[Souko], Yazu, K.[Kazumasa], Saito, I.[Ikuo], Miki, K.[Keiji]
Fluid Phase Equilib. 2005, 228-229, 541-545
ABSTRACT
The reductions of sulfur content in gasoline and diesel fuel are great environmental concern to reduce the motor vehicle emissions. Oxidative desulfurization in acetonitrile biphasic system, proposed in recent years, can oxidize the unreactive sulfur compounds in the hydrodesulfurization. In this work, therefore, liquid liquid equilibria (LLE) for acetonitrile + n-octane and + n-decane systems were measured with the tie-line measurement. The partition coefficients of benzothyophene, a major sulfur-containing compound in gasoline, and benzothyophene 1,1-dioxide, a major product of benzothyophene oxidative desulfurization reaction, for acetonitrile + n-octane system were also measured. Furthermore, the LLE was calculated with ASOG activity coefficient model to see the applicability of the model.
Compounds
# Formula Name
1 C2H3N acetonitrile
2 C8H18 octane
3 C10H22 decane
4 C8H6S benzo[b]thiophene
5 C8H6O2S benzo[b]thiophene 1,1-dioxide
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
  • 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:8
  • 6
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:8
  • 6
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:8
  • 7
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • CHROM:UFactor:8
  • 7
  • POMD
  • 1
  • 4
  • 2
  • Mass fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 6
  • POMD
  • 1
  • 2
  • 5
  • Mass fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 5; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 6