Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and correlation of vapor-liquid equilibrium data for binary and ternary systems composed of (-)-beta-caryophyllene, p-cymene and 3-carene at 101.33 kPa

Yao, Guangyan, Wang, Linlin, Chen, Xiaopeng, Liao, Dankui, Wei, Xiaojie, Liang, Jiezhen, Tong, Zhangfa
J. Chem. Thermodyn. 2019, 128, 215-224
ABSTRACT
New experimental vapor-liquid equilibrium (VLE) data for three binary systems composed of p-cymene + (-)-beta-caryophyllene, 3-carene + (-)-beta-caryophyllene, and 3-carene + p-cymene and for the ternary system of (-)-beta-caryophyllene + p-cymene + 3-carene were obtained using a modified Ellis equilibrium still over the temperature range from 444.44 to 528.78 K at 101.33 kPa. The compositions of these mixtures were assessed using gas chromatography. The VLE data for the binary systems passed thermodynamic consistency tests based on the Herington method and Van Ness test. The thermodynamic consistency of the ternary system was checked by a Van Ness test. The VLE data for binary systems were correlated using the Wilson, NRTL, and UNIQUAC activity coefficient models with minor deviations. The ternary VLE data were also satisfactorily correlated using the Wilson, NRTL and UNIQUAC models. By comparing the experimental values for the ternary system with the values calculated using the three models, the average absolute deviation of the equilibrium temperature and vapor-phase composition were determined to be less than 0.57 K and 0.0060, respectively. These results indicated excellent agreement of the models with experimental values.
Compounds
# Formula Name
1 C10H16 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene
2 C10H14 1-(1-methylethyl)-4-methylbenzene
3 C15H24 [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]-4-undecene
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
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 16
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 14
  • POMD
  • 3
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 19
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 3
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 20
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 20
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 19
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 3
  • 2
  • 1
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 3 ; Gas
  • Mole fraction - 2 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 25