Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

High pressures phase equilibria of (carbon dioxide + 1-undecanol) system and their potential role in carbon capture and storage

Secuianu, C.[Catinca], Ionita, S.[Simona], Feroiu, V.[Viorel], Geana, D.[Dan]
J. Chem. Thermodyn. 2016, 93, 360-373
ABSTRACT
The influence of a large molecular alcohol on thermodynamic phase behaviour is investigated for its potential use in CCS. New isothermal (vapour + liquid) equilibria and (vapour + liquid + liquid) equilibria data for the (carbon dioxide + 1-undecanol) system are reported at several temperatures (303.15, 313.15, 323.15, and 333.15) K and pressures up to 15 MPa, together with the pressure temperature data of the three phases (liquid + liquid + vapour) equilibrium curve up to the upper critical endpoint. A staticanalytical method with phases sampling was used. The experimental results of this study are compared with literature data when available, and discussed. The new data and all available literature data for the (carbon dioxide + 1-undecanol) binary system are modelled with three cubic equations of state, namely the General Equation of State, Peng Robinson, and Soave Redlich Kwong with classical van der Waals mixing rules. The aforementioned EoS were used to model the phase behaviour of the (carbon dioxide + 1-undecanol) binary system (critical curves, the three phases equilibrium curve, isothermal VLE, and (vapour + liquid + liquid) equilibria, using a semi-predictive approach. The calculations results are compared to the new data reported in this work and to all available literature data. The results show a satisfactory agreement between the models and the experimental values.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C11H24O 1-undecanol
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
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • volumetric
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • volumetric
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • Liquid mixture 1
  • volumetric
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • volumetric
  • 16
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • volumetric
  • 16
  • POMD
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 120
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Gas
  • Liquid
  • volumetric
  • 120
  • POMD
  • 2
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Closed cell (Static) method
  • 26