Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Measurement and Prediction of Excess Enthalpies for Ternary Solutions 1-Ethyl-3-methylimidazolium Dimethylphosphate + Methanol or Ethanol + Water at 298.15 K and at Normal Atmospheric Pressure

Zhang, X.[Xiaodong], Hu, D.[Dapeng], Zhao, Z.[Zongchang]
J. Chem. Eng. Data 2014, 59, 2, 205-211
ABSTRACT
The excess enthalpies of binary and ternary solutions composed of ionic liquid, 1-ethyl-3-methylimidazolium dimethylphosphate [Emim][DMP], water, and methanol (or ethanol) were measured with an adiabatic calorimeter at 298.15 K and under normal atmospheric pressure. The experimental data for three sets of binary solution [Emim] [DMP] (1) + H2O(2)/CH3OH(2)/C2H5OH(2) were correlated with the Gibbs Helmholtz, the nonrandom two liquid (NRTL), and the universal quasi-chemical (UNIQUAC) equations. The binary interaction parameters in the NRTL and UNIQUAC models were obtained and used to predict excess enthalpies of ternary solutions [Emim] [DMP](1) + CH3OH(2) or C2H5OH(2) + H2O(3). The results show that the excess enthalpies of ternary solutions are negative across the whole range of concentrations, which indicates that the [Emim] [DMP] mixed with H2O, CH3OH, or C2H5OH is exothermic. Meanwhile, the average relative deviations (ARD) between the experimental and correlated excess enthalpies for the three sets of binary solutions are 2.49 %, 1.64 %, 2.44 % (NRTL) or 2.98 %, 3.00 %, and 3.43 % (UNIQUAC). The ARD between the experimental and predicted excess enthalpies for two set of ternary solution are 7.89 %, 5.17 % (NRTL) and 1.86 %, and 1.86 % (UNIQUAC), respectively.
Compounds
# Formula Name
1 C8H17N2O4P 1-ethyl-3-methylimidazolium dimethylphosphate
2 C4H10O3 diethylene glycol
3 H2O water
4 CH4O methanol
5 C2H6O ethanol
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
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 4
  • POMD
  • 3
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 5
  • POMD
  • 4
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 3
  • POMD
  • 5
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 4
  • POMD
  • 4
  • 3
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 16
  • POMD
  • 5
  • 3
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 16