Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Experimental determination and calculation of the critical curves for the binary systems of CO2 containing ketone, alkane, ester and alcohol, respectively

Sun, Y.[Yongju], Li, Y.[Yanfen], Zhou, J.[Jianguo], Zhu, R.[Rongjiao], Tian, Y.[Yiling]
Fluid Phase Equilib. 2011, 307, 1, 72-77
ABSTRACT
A set of variable-volume autoclave with a quartz window was used for the experimental determination of the high-pressure phase equilibria and critical curves. The critical temperatures, pressures, densities and mole volumes in the region near the critical point of CO2 were examined for eleven binary systems of supercritical CO2 (SC CO2) with different kinds of substances (ketone, alkane, ester and alcohol), respectively. The critical curves of the above binary systems were also calculated using an equation of state. The equation consists of a hard body repulsion term and an additive perturbation term, which takes care of the attractive molecular interaction. The calculated data were compared with the experimental data, and yielded good agreements. At the same time, the values of the adjustable parameters were obtained. The critical curves of the above eleven binary systems at higher temperatures and pressures all belong to type I.
Compounds
# Formula Name
1 C3H6O acetone
2 CO2 carbon dioxide
3 C6H14 hexane
4 C7H16 heptane
5 C8H18 octane
6 C3H6O3 dimethyl carbonate
7 C5H10O3 diethyl carbonate
8 C4H8O2 ethyl acetate
9 C4H8O2 methyl propanoate
10 C5H10O2 ethyl propanoate
11 C6H12O2 propyl propanoate
12 C2H6O ethanol
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
  • 2
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 1
  • 2
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 1
  • 2
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 3
  • 2
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 3
  • 2
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 3
  • 2
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 4
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 4
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 4
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 5
  • 2
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 5
  • 2
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 5
  • 2
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 2
  • 6
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 6
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 6
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 7
  • 2
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 7
  • 2
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 7
  • 2
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 5
  • POMD
  • 2
  • 8
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 8
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 8
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 9
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 9
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 2
  • 9
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 10
  • 2
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 10
  • 2
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 10
  • 2
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 11
  • 2
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 11
  • 2
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 11
  • 2
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 12
  • 2
  • Critical pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 12
  • 2
  • Critical temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4
  • POMD
  • 12
  • 2
  • Critical density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Derived from PVT data
  • 4