Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Hydrogen solubility of mixed naphthenes and aromatics for a new hydrogen storage medium in fuel cell system

Tsuji, T. [Tomoya], Hiaki, T.[Toshihiko], Itoh, N.[Naotsugu]
Fluid Phase Equilib. 2007, 261, 1-2, 375-381
ABSTRACT
Hydrogen solubility was measured for four equimolar binary solvent mixtures, benzene + toluene, cyclohexane + methylcyclohexane, benzene + methylcyclohexane and cyclohexane + toluene, and an equimolar quaternary, benzene + cyclohexane + methylcyclohexane + toluene, in the pressure range from 1.077 to 4.580MPa at 303.15 K. The hydrogen solubility increased linearly with the pressure for all systems. The binary interaction parameters, in a mixing rule of Peng Robinson (PR) equation of state, were determined for benzene + toluene and cyclohexane + methylcyclohexane from the vapor liquid equilibrium data of literature, and that for benzene + methylcyclohexane and cyclohexane + toluene from the hydrogen solubility data in the binary solvent mixture. Using the optimized binary interaction parameters, PR equation well predicted the experimental data for the quaternary.
Compounds
# Formula Name
1 C6H6 benzene
2 C7H8 toluene
3 C6H12 cyclohexane
4 C7H14 methylcyclohexane
5 H2 hydrogen
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
  • 5
  • Mole fraction - 5 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • mass measurements in a pressurized view cell
  • 7
  • POMD
  • 4
  • 3
  • 5
  • Mole fraction - 5 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • mass measurements in a pressurized view cell
  • 8
  • POMD
  • 1
  • 4
  • 5
  • Mole fraction - 5 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • mass measurements in a pressurized view cell
  • 7
  • POMD
  • 2
  • 3
  • 5
  • Mole fraction - 5 ; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • mass measurements in a pressurized view cell
  • 8