Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

A group contribution method for the influence of the temperature in the viscosity of magnetic ionic liquids

Daniel, C. I., Albo, J., Santos, E., Portugal, C. A. M., Crespo, J. G., Irabien, A.
Fluid Phase Equilib. 2013, 360, 29-35
ABSTRACT
Ionic liquids are widely under research due to their potential properties as solvents. The prediction of their physicochemical properties is an important strategy to achieve a better knowledge for further applications. The present work applies a group contribution method to estimate the viscosity at different temperatures of a new generation of ionic liquids, magnetic ionic liquids (MILs), which are comprised by anions containing transition metal complexes. These new substances have received a high interest due to their response at the presence of a magnetic field. In this study the magnetic ionic liquids are based on the phosphonium cation [P66614]+ with different chain lengths and on the magnetic anions: [GdCl6]3-, [MnCl4]2-, [FeCl4]- and [CoCl4]2-. The database covers a wide range of temperature, 293.15 373.15 K, and viscosity 44 123 500 cP. The modelling estimations show a good agreement with the experimental results, presenting a mean percentage deviation of 7.64%. These results confirm the interest of this model for the estimation of viscosity and the influence of the temperature, which can be extended for a large variety of group combinations in magnetic ionic liquids leading to different applications.
Compounds
# Formula Name
1 C96H204Cl6GdP3 tris(trihexyltetradecylphosphonium) hexachlorogadolinate
2 C64H136Cl4MnP2 bis(trihexyltetradecylphosphonium) tetrachloromanganate
3 C32H68Cl4FeP trihexyltetradecylphosphonium tetrachloroferrate
4 C64H136Cl4CoP2 bis(trihexyltetradecylphosphonium) tetrachlorocobaltate
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
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 5
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 5
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 5
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Cone and plate viscometry
  • 5
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 3