Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

The phase envelopes of alternative solvents (ionic liquid, CO2) and building blocks of biomass origin (lactic acid, propionic acid)

Bogel-Lukasik, R.[Rafal], Matkowska, D.[Dobrochna], Zakrzewska, M. E.[Malgorzata E.], Bogel-Lukasik, E.[Ewa], Hofman, T.[Tadeusz]
Fluid Phase Equilib. 2010, 295, 2, 177-185
ABSTRACT
Solid-liquid, liquid-liquid and vapour-liquid equilibrium measurements for binary and ternary systems containing building blocks of biomass origin such as propionic acid, lactic acid and alternative solvents like carbon dioxide and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid have been carried out at 313.15 K. The binary solid-liquid and liquid-liquid equilibrium measurements were performed at ambient pressure. The vapour-liquid equilibrium was studied in the range of pressure from 3.54 to 12 MPa while ternary systems were examined at 9, 10 and 12 MPa. The samples from the coexisting phases were taken and the compositions of both liquid and vapour phases were determined experimentally. The three-phase system was observed for lactic acid + ionic liquid + CO2 as well. The achieved results were correlated using the Peng Robinson equation of state with the Mathias-Klotz-Prausnitz mixing rule. The set of interaction parameters for the employed equations of state and the mixing rule for the investigated systems were obtained.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C3H6O3 2-hydroxypropanoic acid
3 C3H6O2 propanoic acid
4 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
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
  • VISOBS
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Metastable crystal
  • Metastable crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 10
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 2
  • POMD
  • 3
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS
  • 6
  • POMD
  • 3
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • VISOBS
  • 4
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 4
  • POMD
  • 2
  • 4
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 7
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • VISOBS
  • 3
  • POMD
  • 3
  • 1
  • 4
  • Mole fraction - 3 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 3 ; Gas
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 3
  • 1
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • Chromatography
  • Chromatography
  • 6
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Mole fraction - 4; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 4
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 2 ; Gas
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 9