Thermodynamics Research Center / ThermoML | Thermochimica Acta

Application of the Eotvos and Guggenheim empirical rules for predicting the density and surface tension of ionic liquids analogues

Mjalli, F. S.[Farouq S.], Vakili-Nezhaad, G.[Gholamreza], Shahbaz, K.[Kaveh], AlNashef, I. M.[Inas M.]
Thermochim. Acta 2014, 575, 40-44
ABSTRACT
tThe recent continuing interest in deep eutectic solvents (DES) as ionic liquids analogues and their successful applications in different areas of separation necessities the existence of reliable physical and thermodynamic properties database. The scarcity of data on the physical properties of such solvents, increases the need for their prediction using reliable methods. In this study, first the critical temperatures of eight DES systems have been calculated based on the Eotvos empirical equation using the experimental data of the density and surface tension at various temperatures, then the density and surface tensionv alues of these systems were predicted from the calculated critical temperatures. For the density prediction the Eotvos and Guggenheim equations were combined to introduce a simple power law equation using the estimated critical temperatures from the Eotvos and the Modified Lydersen Joback Reid group contribution methods. Finally, the estimated critical temperatures by these two methods were used in the Guggenheim empirical equation to calculate the surface tension of the DES systems. The prediction quality of the two physical properties under investigation were compared and proper recommendations were postulated.
Compounds
# Formula Name
1 C5H14ClNO choline chloride
2 C19H18BrP methyltriphenylphosphonium bromide
3 C6H16ClNO 2-(diethylamino)ethanol hydrochloride
4 C3H8O3 glycerol
5 C2H6O2 1,2-ethanediol
6 C6H12O6 D-glucose
7 C6H12O6 D-fructose
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
  • 4
  • 1
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Ring tensiometer
  • 7
  • POMD
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 1
  • 5
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Ring tensiometer
  • 7
  • POMD
  • 6
  • 1
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Ring tensiometer
  • 7
  • POMD
  • 7
  • 1
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Ring tensiometer
  • 7
  • POMD
  • 4
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Ring tensiometer
  • 7
  • POMD
  • 5
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 5
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Ring tensiometer
  • 7
  • POMD
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 4
  • 3
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Ring tensiometer
  • 7
  • POMD
  • 5
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 5
  • 3
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Ring tensiometer
  • 7