Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Isobaric vapor-liquid equilibrium for four binary systems of thiophene

Bai, J.[Juan], Guo, B.[Benshuai], Xia, S.[Shuqian], Li, Y.[Yonghong], Ma, P.[Peisheng]
Fluid Phase Equilib. 2012, 315, 84-90
ABSTRACT
Isobaric vapor-liquid equilibrium (VLE) data for thiophene with four different FCC gasoline compounds (2,3-dimethyl-2-butene, n-heptane, 2-methylbutane and 2,3-dimethyl-1-butene) were measured at 101.33 kPa with a circulation still. All the four binary systems exhibit positive deviations from ideal solution behavior. Especially, thiophene + n-heptane binary system exhibits maximum pressure homogeneous azeotrope at 356.33K with the composition 0.8499 for thiophene. All the VLE measurements passed the thermodynamic consistency test. Wilson model was used to correlate the experimental VLE data. The infinite dilution activity coefficients for the systems were also presented. The experimental data of thiophene + 2,3-dimethyl-2-butene and thiophene + 2,3-dimethyl-1-butene were correlated by original UNIFAC and UNIFAC-Dortmund models. The interaction parameters of the binary pair C4H4S functional group and C=C functional group for the two models were obtained and they were tested reliable by some literature data.
Compounds
# Formula Name
1 C4H4S thiophene
2 C7H16 heptane
3 C6H12 2,3-dimethyl-1-butene
4 C6H12 2,3-dimethyl-2-butene
5 C5H12 2-methylbutane
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
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 12
  • POMD
  • 3
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 4
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 5
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 1
  • 2
  • Azeotropic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 2
  • Azeotropic composition: mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 18
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 18
  • POMD
  • 5
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 24
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 24
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 17
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 17
  • POMD
  • 1
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 15
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 15