Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubilities of 3-acetylpyridine in supercritical carbon dioxide atseveral temperatures and pressures: Experimental and modeling

Agustin, B.[Bely], Lin, S.-Y.[Shi-Yow], Kurniawan, A.[Alfin], Ju, Y.-H.[Yi-Hsu], Soetaredjo, F. E.[Felycia Edi]
Fluid Phase Equilib. 2013, 354, 127-132
ABSTRACT
3-Acetylpyridine (methyl 3-pyridyl ketone) is one of the important compounds to impart flavor and fra-grance in various food products. In this work, the solubility data of 3-acetylpyridine in supercritical carbondioxide (SC-CO2) were experimentally measured at several temperatures (313.15 K, 323.15 K, 333.15 K,and 343.15 K) and pressures from 10 MPa to 26 MPa under static mode. The experimental solubilitiesover the measurement range were correlated using Chrastil and Del Valle and Aguilera density-dependentmodels while phase equilibrium behavior of the studied system was interpreted by Peng Robinson equa-tion of state (PR-EoS) incorporated with quadratic and Stryjek Vera mixing rules. The agreement betweenthe model predictions and experimental solubilities was assessed in respect to root-mean-square devi-ation (RMSD) and consistency of physical meaning of model parameters. Concerning phase equilibria ofthe studied supercritical system, PR-EoS incorporated with quadratic mixing rule was superior to PR-EoSincorporated with Stryjek Vera mixing rule and capable to describe the dependency of adjustable binaryinteraction parameters with temperature.
Compounds
# Formula Name
1 C7H7NO 3-acetylpyridine
2 CO2 carbon dioxide
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
  • 1
  • Amount concentration (molarity), mol/dm3 - 1 ; Fluid (supercritical or subcritical phases)
  • Temperature, K; Fluid (supercritical or subcritical phases)
  • Pressure, kPa; Fluid (supercritical or subcritical phases)
  • Fluid (supercritical or subcritical phases)
  • Liquid - 1
  • static method
  • 36