Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental determination and correlation of lamotrigine solubility in aqueous mixtures of 1-octyl-3-methylimidazolium bromide ionic liquid at various temperatures

Mirheydari, Seyyedeh Narjes, Barzegar-Jalali, Mohammad, Shekaari, Hemayat, Martinez, Fleming, Jouyban, Abolghasem
J. Chem. Thermodyn. 2019, 135, 75-85
ABSTRACT
The solubility of lamotrigine was measured in aqueous mixtures of ionic liquid, 1-octyl-3-methylimidazolium bromide [OMIm][Br] up to 0.9 mass fraction at T = (293.2-313.2) K. The lambda-h and van't Hoff models with temperature dependency and Jouyban-Acree-van't Hoff, e-NRTL, UNIQUAC and Wilson models with temperature and solvent composition dependencies were used to correlate the experimental solubility data. The computed %ARDs show that the van't Hoff equation is better than lambda-h model and Jouyban-Acree-van't Hoff model has the best agreement with the experimental data and the order of %ARDs for the used models is, Jouyban-Acree-van't Hoff less than e-NRTL less than UNIQUAC less than Wilson. Moreover, to understand the thermodynamic behaviour of studied solutions, apparent Gibbs energy, enthalpy and entropy of dissolution and mixing were estimated based on the van't Hoff and Gibbs energy equations. Thermodynamic analysis results indicate the strong solute-co solvent interactions between LTG and the ionic liquid and main contribution of enthalpy for dissolution of LTG in the aqueous mixtures of ionic liquid.
Compounds
# Formula Name
1 C9H7Cl2N5 lamotrigine
2 C12H23BrN2 1-methyl-3-octylimidazolium bromide
3 H2O water
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
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • UV spectroscopy
  • 45