Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Physical Behavior of the Phases from the Liquid-Liquid Equilibrium of Citrus Essential Oils Systems at 298.2 K

Goncalves, Daniel, Paludetti, Mayara F., Florido, Priscila M., Tonetti, Camila, Goncalves, Cintia B., Rodrigues, Christianne E. C.
J. Chem. Eng. Data 2018, 63, 8, 2718-2737
ABSTRACT
Solvent extraction is a fractionation process applied to separate terpenes and oxygenated compounds from citrus essential oils (EOs). Once the knowledge of the physical properties of phases is crucial for equipment design and the scaling of tubes and accessories, this study focused on the evaluation of density, viscosity and interfacial tension of phases from the liquid-liquid equilibrium of citrus EOs systems. Model mixtures of orange and lemon EOs and real systems at 298.2 K were prepared, and the physical properties of their phases were thus evaluated. Increased water content in the solvent led to higher values of density, viscosity, and interfacial tension, while increased amount of oxygenated compounds caused lower interfacial tensions. Densities estimated by the simple mixing rule provided good results. Parameters of the Grunberg-Nissan model adjusted to the model systems data exhibited good description of the viscosities of real systems. The UNIFAC-VISCO model provided suitable predictions of viscosities of the solvent phases, while satisfactory results for the interfacial tensions were calculated by linear adjustment and the Bahramian-Danesh thermodynamic model, except for real acid lime system.
Compounds
# Formula Name
1 C10H16 (R)-1-methyl-4-(1-methylethenyl)cyclohexene
2 C10H16 1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene
3 C10H16 (1S,5S)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
4 C10H18O 3,7-dimethyl-1,6-octadien-3-ol
5 C10H16O 3,7-dimethyl-2,6-octadienal (cis+trans)
6 C2H6O ethanol
7 H2O water
8 C8H16O octanal
9 C8H18O octan-1-ol
10 C10H14 1-(1-methylethyl)-4-methylbenzene
11 C10H16 (R)-2-pinene
12 C10H18O (.+-.)-citronellal
13 C10H18O .alpha.,.alpha.,4-trimethyl-3-cyclohexene-1-methanol
14 C10H18O (E)-3,7-dimethyl-2,6-octadien-1-ol
15 C10H20O decanal
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
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 1
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 3
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 4
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 5
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 6
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 6
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 7
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 8
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 8
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 9
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 9
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 10
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 10
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 10
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 11
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 11
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 11
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 12
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 12
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 12
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 13
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 13
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 13
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 14
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 14
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 15
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 15
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 15
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 1
  • POMD
  • 6
  • 7
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 6
  • 7
  • Viscosity, Pa*s ; Liquid
  • Mass fraction - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 6
  • POMD
  • 6
  • 7
  • Surface tension liquid-gas, N/m ; Liquid
  • Mass fraction - 7; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 6
  • POMD
  • 6
  • 7
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 6 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 7
  • POMD
  • 6
  • 7
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 1; Liquid
  • Mass fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 6
  • 7
  • 1
  • Viscosity, Pa*s ; Liquid
  • Mass fraction - 1; Liquid
  • Mass fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 6
  • POMD
  • 6
  • 7
  • 1
  • Interfacial tension, N/m ; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 1
  • Mass fraction - 6; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Ring tensiometer
  • 3