Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibrium in systems with ionic liquids: An example for the downstream process of the Biphasic Acid Scavenging utilizing Ionic Liquids (BASIL) process. Part I: Experimental data

Sahandzhieva, K.[Katya], Maurer, G.[Gerd]
J. Chem. Thermodyn. 2012, 46, 29-41
ABSTRACT
Experimental results are presented for the (liquid + liquid), (solid + liquid) and (solid + liquid + liquid) equilibria occurring in the downstream process of a typical example for the Biphasic Acid Scavenging Utilizing Ionic Liquids (BASIL)-processes. In a BASIL process an organic base is used to catalyze a chemical reaction and, at the same time, to scavenge an acid that is an undesired side product of that reaction. The particular example of a BASIL process treated here is the reaction of 1-butanol and acetylchloride to butylacetate and hydrochloric acid, where the acid is scavenged by the organic base 1-methyl imidazole (1-MIM) resulting in the ionic liquid 1-methyl imidazolium chloride. The reaction results in a two-phase system as butylacetate and the ionic liquid reveal a large liquid liquid miscibility gap. The organic base has to be recovered. This is commonly achieved by treating the ionic liquid rich liquid phase with an aqueous solution of sodium hydroxide (i.e., converting the ionic liquid to the organic base) and extracting the organic base by an appropriate organic solvent (e.g., 1-propanol). The work presented here deals in experimental work with the (liquid + liquid), (solid + liquid) and (solid + liquid + liquid) phase equilibria that are encountered in such extraction processes. Experimental results are reported for temperatures between about 298 K and 333 K: for the solubility of NaCl in several solvents (1-propanol, 1-MIM), (water + 1-MIM), (1-propanol + 1-MIM), (water + 1-propanol), and (water + 1-propanol + 1-MIM) and for the (liquid + liquid) equilibrium as well as for the (solid + liquid + liquid) equilibrium of the ternary system (NaCl + water + 1-propanol) and of the quaternary system (NaCl + water + 1-propanol + 1-MIM).
Compounds
# Formula Name
1 C3H8O propan-1-ol
2 ClNa sodium chloride
3 C4H6N2 1-methylimidazole
4 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
  • 1
  • 2
  • 4
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 4
  • POMD
  • 1
  • 2
  • 4
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 4; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • Titration method
  • Titration method
  • 23
  • POMD
  • 3
  • 2
  • 4
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 46
  • POMD
  • 3
  • 2
  • 4
  • Mass fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 3