Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solid liquid equilibrium and hydrogen solubility of trans-decahydronaphthalene + naphthalene and cis-decahydronaphthalene + naphthalene for a new hydrogen storage medium in fuel cell system

Tsuji, T.[Tomoya], Sue, K.[Kiwamu], Hiaki, T.[Toshihiko], Itoh, N.[Naotsugu]
Fluid Phase Equilib. 2007, 257, 2, 183-189
ABSTRACT
Solid liquid equilibrium was measured for benzene + cyclohexane, trans-decahydronaphthalene + naphthalene and cis-decahydronaphthalene + naphthalene under the atmospheric pressure in the temperature range from 226.69 to 353.14 K. The apparatus was specially designed in this study, and it was based on a cooling method. The phase diagram with the complete immiscible solids was observed for the three systems, and the eutectic point was found at x2 = 0.2709 and Teu = 232.11K for benzene + cyclohexane, x2 = 0.9816 and Teu = 241.98K for transdecahydronaphthalene + naphthalene, and x3 = 0.9822 and Teu = 225.74K for cis-decahydronaphthalene + naphthalene, respectively. Hydrogen solubilitywas also measured for the two pure substances, trans-decahydronaphthalene and cis-decahydronaphthalene, and the three mixtures, transdecahydronaphthalene + cis-decahydronaphthalene, trans-decahydronaphthalene + naphthalene, and cis-decahydronaphthalene + naphthalene, in the pressure range from 1.702 to 4.473MPa at 303.15 K. Considering the solid liquid equilibrium data, mole ratio of trans-decahydronaphthalene:cis-decahydronaphthalene was set to 50:50, and those of trans-decahydronaphthalene + naphthalene, and cisdecahydronaphthalene + naphthalene to 85:15. The hydrogen solubility increased linearly with the pressure following the Henry s law for all systems. The experimental solubility data were correlated or predicted with the Peng Robinson equation of
Compounds
# Formula Name
1 H2 hydrogen
2 C6H6 benzene
3 C6H12 cyclohexane
4 C10H8 naphthalene
5 C10H18 trans-decahydronaphthalene
6 C10H18 cis-decahydronaphthalene
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • LSTA:UFactor:2
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • LSTA:UFactor:2
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • LSTA:UFactor:2
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • LSTA:UFactor:2
  • 1
  • POMD
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • LSTA:UFactor:2
  • 1
  • POMD
  • 2
  • 3
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 3
  • Air at 1 atmosphere
  • Liquid
  • DTA
  • 1
  • POMD
  • 2
  • 3
  • Eutectic composition: mole fraction - 2 ; Crystal - 2
  • Crystal - 2
  • Crystal - 3
  • Air at 1 atmosphere
  • Liquid
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • LSTA:UFactor:2
  • 9
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • LSTA:UFactor:2
  • 4
  • POMD
  • 4
  • 5
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 5
  • Air at 1 atmosphere
  • Liquid
  • DTA
  • 1
  • POMD
  • 4
  • 5
  • Eutectic composition: mole fraction - 5 ; Crystal - 4
  • Crystal - 4
  • Crystal - 5
  • Air at 1 atmosphere
  • Liquid
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 4
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • LSTA:UFactor:2
  • 13
  • POMD
  • 4
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • LSTA:UFactor:2
  • 3
  • POMD
  • 4
  • 6
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 6
  • Air at 1 atmosphere
  • Liquid
  • DTA
  • 1
  • POMD
  • 4
  • 6
  • Eutectic composition: mole fraction - 6 ; Crystal - 4
  • Crystal - 4
  • Crystal - 6
  • Air at 1 atmosphere
  • Liquid
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 4
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • LSTA:UFactor:2
  • 13
  • POMD
  • 4
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • LSTA:UFactor:2
  • 2
  • POMD
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:4
  • 8
  • POMD
  • 6
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:4
  • 7
  • POMD
  • 6
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:4
  • 7
  • POMD
  • 4
  • 6
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:4
  • 7
  • POMD
  • 4
  • 5
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:4
  • 7