Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

High-pressure phase behaviour of binary (CO2 + nicotine) and ternary (CO2 + nicotine + solanesol) mixtures

Ruiz-Rodriguez, A.[Alejandro], Najdanovic-Visak, V.[Vesna], Visak, Z. P.[Zoran P.], do Rosario Bronze, M.[Maria], Antunes, C.[Claudia], Manuel, N. d. P.[Nunes da Ponte]
Fluid Phase Equilib. 2009, 282, 1, 58-64
ABSTRACT
This work paper presents vapour liquid equilibrium (VLE) data for binary (CO2 + nicotine) and ternary (CO2 + nicotine + solanesol) mixtures, at 313.2K and 6, 8 and 15MPa. The (CO2 + nicotine) system exhibits three phases (L1L2V) in equilibrium at 8.37MPa. It is estimated that this system most likely follows the type-III phase behaviour. In the ternary system, the presence of solanesol in the vapour phase was detected only at the pressure of 15MPa. At this pressure, partition coefficients and separation factors for solanesol/nicotinewere calculated for different initial nicotine/solanesol compositions and a strong influence of compositionwas found. The resultswere modelled using the Peng Robinson equation of state (PR EOS) coupled with the Mathias Klotz Prausnitz (MKP) mixing rule (PR MKP model). Good correlations of the binary data, particularly in the case of the (CO2 + nicotine) mixture, were obtained. However, the model could not correlate the ternary data.
Compounds
# Formula Name
1 C10H14N2 (-)-3-(N-methylpyrrolidino)pyridine
2 C45H74O Solanesol
3 CO2 carbon 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
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid mixture 1
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Closed cell (Static) method
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 4
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Chromatography
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Chromatography
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 5
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Gas
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • UNKNOWN
  • 5
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 5
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 3
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 3
  • 2
  • Mole fraction - 1 ; Liquid
  • Mole fraction - 1 ; Gas
  • Mole fraction - 3 ; Gas
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 9