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

High Pressure Phase Equilibria of the CO2/Saturated Ethyl Esters Homologous Series

Schwarz, Cara E.
J. Chem. Eng. Data 2018, 63, 4, 1006-1020
ABSTRACT
A systematic study on the phase behavior of saturated ethyl esters with supercritical CO2 is presented. High pressure phase behavior measurements for the systems CO2/ethyl decanoate, CO2/ethyl dodecanoate, CO2/ethyl tetradecanoate and CO2/ethyl hexadecanoate were conducted in a static synthetic view cell in the temperature range 308 to 358 K. Phase transition pressures were measured in the range 5.86 to 23.01 MPa for ethyl ester mass fractions in the range 0.0174 to 0.657 and complement existing literature data. Throughout the temperature and compositional range measured, which encompassed the liquid phase, mixture critical region and vapor phase, an increase in temperature leads to an increase in phase transition pressure with no temperature inversions or three phase regions observed. Additionally, an increase in hydrocarbon backbone length leads to an ever-increasing phase transition pressure, suggestion fractionation of ethyl esters according to molecular mass with supercritical CO2 is possible. Finally, the measured and previously published CO2/ethyl ester data were successfully correlated with a modified Chrastil models and the MT model. While these models can not easily be used predictively and depend on the data sets used for correlation, these are simple and easy methods that can be used to interpolate data.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C12H24O2 ethyl decanoate
3 C14H28O2 ethyl dodecanoate
4 C16H32O2 ethyl tetradecanoate
5 C18H36O2 ethyl hexadecanoate
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • visual
  • 35
  • POMD
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 2; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • visual
  • 25
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • visual
  • 34
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 3; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • visual
  • 38
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • visual
  • 25
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 4; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • visual
  • 35
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • visual
  • 24
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 5; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid
  • visual
  • 48