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

Phase Equilibrium Behavior in Mixtures Containing Tributyl Citrate, Citric Acid, Butan-1-ol, and Water

Santaella, Miguel A., Suaza, Andrea, Berdugo, Claudia E., Rivera, Jose L., Orjuela, Alvaro
J. Chem. Eng. Data 2018, 63, 9, 3252-3262
ABSTRACT
This work focused on the development of the phase equilibria models required to describe the behavior of mixtures involved in the synthesis of tributyl citrate (TBC) via esterification of citric acid (CA) and butan-1-ol (BuOH). Vapor-liquid equilibrium (VLE) for the mixture TBC-BuOH, liquid-liquid equilibrium (LLE) for the ternary mixture TBCH2O-BuOH, and solubility data for the mixture CA-BuOH-TBC, were measured at different temperatures. The thermodynamic consistency was verified with the Wisniak test for VLE data, and the LLE data exhibited linear behavior in an Othmer & Tobias plot. Together with reported equilibrium data from the open literature, the measured equilibrium data sets were regressed with the UNIQUAC equation to fit the binary interaction parameters of the components in the mixture. The obtained model agrees well with the whole set of experimental data and can be used for further process design.
Compounds
# Formula Name
1 C18H32O7 tributyl citrate
2 C6H8O7 citric acid
3 C4H10O butan-1-ol
4 H2O water
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • DSC
  • 22
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • DSC
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 2
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 73
  • POMD
  • 3
  • 1
  • 4
  • Mass fraction - 1 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mole fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 34
  • POMD
  • 3
  • 2
  • 1
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 16
  • POMD
  • 1
  • 4
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 2
  • POMD
  • 1
  • 4
  • Mass fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Chromatography
  • 2