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

Mean Activity Coefficients of NaCl in the Mixture of 2-Hydroxyethylammonium Butyrate + H2O at 298.15 K

Amado-Gonzalez, E.[Eliseo], Gonzalez-Gutierrez, I. L.[Irina Lupita], Gomez-Jaramillo, W.[Wilfred]
J. Chem. Eng. Data 2017, 62, 8, 2384-2391
ABSTRACT
The main objective of this work is to continue with a series of electrochemistry studies of mixtures of ionic liquids and water as a solvent to provide accurate data for future particular applications [Amado-Gonzalez et al. J. Chem. Eng. Data 2017, 62, 752]. The mean activity coefficients for NaCl in [2-hydroxyethylammonium butyrate (2-HEAB) + H2O] as a solvent mixture were determined by cell potential measurements: Na ion selective electrode (ISE)|NaCl (m), 2-HEAB (w), H2O (1 w)|Cl ion selective electrode (ISE) at molalities from 0.10 to 3.20 mol*kg 1 at 298.15 K. Different weight fractions (w) of 2-HEAB with w = 0.01, 0.05, 0.1, 0.2, 0.3, and 0.4 were used. At higher concentrations of w = 0.40, NaCl is salting out by 2-HEAB in water. The Pitzer ion interaction parameters ss0, ss1, and C? were used to find the values of osmotic coefficients, solvent activity, and the excess Gibbs free energy for the mixed electrolyte system. The results may be interpreted by the clathrate-like formation of 2-HEAB + water. A qualitative description of the relation between water and the 2-HEAB was done using the general AMBER force field (GAFF).
Compounds
# Formula Name
1 H2O water
2 ClNa sodium chloride
3 C6H15NO3 2-hydroxy ethylammonium butanoate
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
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 2
  • 1
  • 3
  • Mean ionic activity coefficient - 2 ; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • potentiometry
  • 89