Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapor liquid equilibria for systems of diethyl carbonate and ketones and determination of group interaction parameters for the UNIFAC and ASOG methods

Pereiro, A. B., Rodriguez, A., Canosa, J., Tojo, J.
Fluid Phase Equilib. 2005, 235, 1, 83-91
ABSTRACT
Densities and speeds of sound for the binary mixtures acetone, 2-butanone and 2-pentanone + diethyl carbonate, over the whole composition range, at T = 298.15K and atmospheric pressure have been measured. Excess molar volumes and deviations in isentropic compressibility for the binary systems were fitted to the Redlich Kister polynomial. Isobaric vapor liquid equilibria for the binary systems acetone + diethyl carbonate, 2-butanone + diethyl carbonate and 2-pentanone + diethyl carbonate at P = 101.3 kPa have been determined. The activity coefficients were calculated to be thermodynamically consistent and they were correlated with theWilson,NRTL,UNIQUACand Redlich Kister equations. Interaction parameters related to the carbonate ( OCOO ) and ketone ( CO ) groups, inASOGand UNIFACmethods, have been determined using our experimental VLE data.
Compounds
# Formula Name
1 C3H6O acetone
2 C4H8O butanone
3 C5H10O pentan-2-one
4 C5H10O3 diethyl carbonate
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
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FPINT:UFactor:2
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FPINT:UFactor:2
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FPINT:UFactor:2
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FPINT:UFactor:2
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 1
  • POMD
  • 1
  • 4
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FPINT:UFactor:2
  • 13
  • POMD
  • 1
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:16
  • 38
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 13
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 38
  • POMD
  • 2
  • 4
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FPINT:UFactor:2
  • 13
  • POMD
  • 2
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:16
  • 29
  • POMD
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 13
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 29
  • POMD
  • 4
  • 3
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FPINT:UFactor:2
  • 13
  • POMD
  • 4
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:16
  • 35
  • POMD
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:2
  • 13
  • POMD
  • 4
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • density composition curves
  • 35