Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

The molar surface Gibbs energy and its application to the binary mixtures of N-butylpyridinium dicyanamide [C4py][DCA] with alcohols

Xing, Nannan, Liang, Kunhao, Fang, Dawei, Guan, Wei, Yang, Jiazhen
J. Chem. Thermodyn. 2019, 128, 283-294
ABSTRACT
The density and surface tension for the binary mixtures of ionic liquid (IL) [C4py][DCA] with ethanol, 1-propanol and 2-propanol were measured across the entire range of mole fraction (x1 = 0.0000-1.0000) at T = (288.15-318.15) K. The average molar volume and the thermal expansion coefficient of the binary mixtures were calculated from the experimental density. The excess molar volumes, VE, of the binary mixtures were also calculated and well fitted by Redlich-Kister equation. The obtained VE are negative values over the whole composition range. The values of VE are related to the alcohol chain length and temperature. In order to predict the surface tension of the mixtures, the new function - the molar surface Gibbs energy of mixtures was obtained from Li's model improved by us in this work. So, the molar surface Gibbs energy, gs, and its excess function, gsE, of mixtures for [C4py][DCA] with ethanol, 1-propanol and 2-propanol were calculated. The excess molar surface Gibbs energy, gsE, was well fitted by Redlich-Kister equation. In terms of the Redlich-Kister's parameters, a new method for predicting the surface tension, gamma, of the mixtures is proposed and the predicted values, gamma (pre.), are in good agreement with the corresponding experimental ones, gamma(exp.). On a basis of molar surface Gibbs energy of mixtures, a new Eoetvoes equation was obtained and applied to binary mixtures of [C4py][DCA] with alcohols. The absolute value of the slope of the new Eoetvoes equation is the mole surface entropy, s, and the intercept is the molar surface enthalpy, h, which is temperature-independent.
Compounds
# Formula Name
1 C11H14N4 1-butylpyridinium dicyanamide
2 C2H6O ethanol
3 C3H8O propan-1-ol
4 C3H8O propan-2-ol
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
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 7
  • POMD
  • 3
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 7
  • POMD
  • 4
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 7
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 77
  • POMD
  • 1
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 77
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 77
  • POMD
  • 1
  • 3
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 77
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 77
  • POMD
  • 1
  • 4
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Maximal bubble pressure
  • 77