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

Phase Equilibrium Measurements and Thermodynamic Modeling of the Systems (CO2 + Ethyl Levulinate) and (CO2 + Levulinic Acid)

Junior, Wanderson R. Giacomin, Capeletto, Claudia A., Voll, Fernando A. P., Corazza, Marcos L.
J. Chem. Eng. Data 2019, 64, 5, 2011-2017
ABSTRACT
This work reports phase equilibrium measurements and thermodynamic modeling of the binary systems (CO2 + ethyl levulinate) and (CO2 + levulinic acid). Each composition was carried out in a high-pressure variable-volume view cell, with temperatures from 303.15 to 353.15 K, and CO2 mole fraction ranging from 0.4002 to 0.9751, for the system (CO2 + ethyl levulinate), and from 0.4083 to 0.9930, for the system (CO2 + levulinic acid). Under these conditions, only vapor-liquid phase transitions were observed. The experimental data were modeled with the Peng-Robinson cubic equation of state with the Boston-Mathias alpha function (PR-BM) and using the van der Walls quadratic mixing rule. The results showed that the experimental data of the system (CO2 + ethyl levulinate) were adequately represented by the thermodynamic model with a unique set of binary interaction parameters, which were fitted from all isotherms. Whereas the experimental data of the system (CO2 + levulinic acid) were only adequately represented with temperature-dependent binary interaction parameters.
Compounds
# Formula Name
1 C2H6O ethanol
2 CO2 carbon dioxide
3 C7H12O3 ethyl levulinate
4 C5H8O3 4-oxopentanoic acid
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
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 13
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 42
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 2; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 6
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 44
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Mole fraction - 2; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 11