Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Experimental measurement and thermodynamic modeling of phase equilibria of {CO2 + tetralin + n-alkanes (with n = 6, 16)} and its binary systems

Leal, M. F.[Monique F.], do Nascimento, Fabio P., Paredes, M. L. L.[Marcio L.L.], Pessoa, F. L. P.[Fernando L.P.]
Fluid Phase Equilib. 2018, 478, 23-33
ABSTRACT
This work measured data of binary mixtures {CO2 + n-hexane}, {CO2 + tetralin}, {CO2 + n-hexadecane} at high pressure, {tetralin + n-hexadecane} system at low pressure, and the ternary systems {CO2 + n-hexane + tetralin} and {CO2 + tetralin + n-hexadecane} at high pressures. Two experimental methodologies were used: synthetic static method and analytical dynamic method. The data obtained at high pressure were used to determine the binary interaction parameters using the Peng-Robinson equation of state and classical mixing rules. Regarding the low pressure data, the binary interaction parameter for the {tetralin + n-hexadecane} system was predicted by literature correlations and adjusted to correlate our experimental data. The binary parameters were also used to predict the behavior of the ternary systems {CO2 + n-hexane + tetralin} and {CO2 + tetralin + n-hexadecane} at high pressures. The model did not predict so accurately the bubble and dew pressures for the ternary systems at high temperatures and elevated CO2 compositions using the parameters obtained from binary systems but the results were reasonable compared to experimental results.
Compounds
# Formula Name
1 C6H14 hexane
2 C10H12 1,2,3,4-tetrahydronaphthalene
3 C16H34 hexadecane
4 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
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 19
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 4; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 1
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 20
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 4; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 5
  • POMD
  • 3
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 12
  • POMD
  • 3
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 14
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Index of refraction calibration data
  • 14
  • POMD
  • 4
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 128
  • POMD
  • 4
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 68