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

Phase Behavior of Liquid Crystal + CO2 Mixtures

Groen, M. d.[Mariette de], Ramaker, B. C.[Bo C.], Vlugt, T. J. H.[Thijs J.H.], de Loos, T. W.[Theo W.]
J. Chem. Eng. Data 2014, 59, 5, 1667-1672
ABSTRACT
Liquid crystals are a potential new type of solvents for CO2 capture. For this purpose, it is important to study the phase behavior of mixtures of liquid crystals with CO2. P,T-isopleths of five binary mixtures of liquid crystals and CO2 were studied at a mole fraction of approximately xCO2 = 0.06. The liquid crystals used in this study were 4-ethyl-4'-propyl bicyclohexyl and 4-propyl-4'-butyl bicyclohexyl, which have a smectic phase, and 4,4'-hexyloxy benzylidene aminobenzonitrile, 4-heptyloxy- 4'-cyanobiphenyl, and 4-pentyl-4'-cyanobiphenyl, which have a nematic phase. Phase equilibria measured for the systems were the bubble point curves nematic + gas to nematic, isotropic + gas to isotropic, the two-phase equilibria nematic + isotropic to isotropic, nematic to nematic + isotropic, smectic + isotropic to isotropic and solid + nematic to nematic. Three-phase equilibrium lines nematic + isotropic + gas and smectic + isotropic + gas were measured as well. Henry coefficients were calculated for the measured systems. It was found that 4-pentyl-4'-cyanobiphenyl and 4-heptyloxy-4'-cyanobiphenyl have the highest CO2 solubility.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C17H32 4-ethyl-4'-propyl-1,1'-bi(cyclohexane)
3 C19H36 4-butyl-4'-propyl bicyclohexyl
4 C20H23NO 4'-(heptyloxy)-4-biphenylcarbonitrile
5 C18H19N 4'-n-pentyl-4-biphenylcarbonitrile
6 C20H22N2O N-4-(hexyloxybenzylidene)-4-aminobenzonitrile
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
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 8
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 10
  • POMD
  • 1
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 11
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 7
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 8