Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Hydrogen solubility in a chemical hydrogen storage medium, aromatic hydrocarbon, cyclic hydrocarbon, and their mixture for fuel cell systems

Tsuji, T. [Tomoya], Shinya, Y.[Yoshiko], Hiaki, T.[Toshihiko], Itoh, N.[Naotsugu]
Fluid Phase Equilib. 2005, 228-229, 499-503
ABSTRACT
A synthetic type apparatus was designed to measure hydrogen solubility in four pure aromatic or cyclic hydrocarbons, benzene, cyclohexane, toluene, and methylcyclohexane, and two equimolar binary mixtures, benzene + cyclohexane, and methylcyclohexane + toluene. The experimental temperature was 303.15 K, and the pressure range from 0.887 to 4.827MPa. The hydrogen solubility increased linearly with the pressure following the Henry s law. The hydrogen solubility in benzene was smaller than that in cyclohexane. Similarly, the solubility in toluene was smaller than in methylcyclohexane. In the measurement for the mixtures, the mole ratio of benzene:cyclohexane and methylcyclohexane: toluene was set to 1:1. The hydrogen solubility in the equimolar mixtures was lower than that in pure cyclic hydrocarbon, cyclohexane or methylcyclohexane. The experimental solubility data in pure hydrocarbons were correlated with the Peng Robinson (PR) equation of state using van derWaals one fluid mixing rule. Using binary interaction parameters in the mixing rule, the hydrogen solubility in the mixtures was predicted well.
Compounds
# Formula Name
1 H2 hydrogen
2 C6H6 benzene
3 C6H12 cyclohexane
4 C7H8 toluene
5 C7H14 methylcyclohexane
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 9
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 11
  • POMD
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 8
  • POMD
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 9
  • POMD
  • 2
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Solvent: Amount ratio of component to other component of binary solvent - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 9
  • POMD
  • 5
  • 4
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Solvent: Amount ratio of component to other component of binary solvent - 5; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 7