Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibria study of the binary systems (1-butyl-3-methylimidazolium tosylate ionic liquid + water, or organic solvent)

Domanska, U.[Urszula], Krolikowski, M.[Marek]
J. Chem. Thermodyn. 2010, 42, 3, 355-362
ABSTRACT
(Solid + liquid) phase equilibria (SLE) and (liquid + liquid) phase equilibria (LLE) for the binary systems: ionic liquid (IL) 1-butyl-3-methylimidazolim tosylate (p-toluenesulfonate) {[BMIM][TOS] + water, an alcohol (ethanol, or 1-butanol, or 1-hexanol, or 1-octanol, or 1-decanol), or n-hexane, or an aromatic hydrocarbons (benzene, or toluene, or ethylbenzene, or propylbenzene, or thiophene)} have been determined at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from (230 to 340) K. For the binary systems containing water, or an alcohol, simple eutectic diagrams were observed with complete miscibility in the liquid phase. As usual, with increasing chain length of the alcohol the solubility decreases. In the case of mixtures {IL + n-hexane, or benzene, or alkylbenzene, or thiophene} the eutectic systems with mutual immiscibility in the liquid phase with an upper critical solution temperature (UCST) were detected. The basic thermal properties of the pure IL, i.e. melting and glass-transition temperatures, as well as the enthalpy of fusion have been measured using a differential scanning microcalorimetry technique (DSC). Density at high temperatures was determined and extrapolated to 298.15 K. Well-known UNIQUAC, Wilson and NRTL equations have been used to correlate experimental SLE data sets for alcohols and water. For the systems containing immiscibility gaps {IL + nhexane, or benzene, or alkylbenzene, or thiophene}, parameters of the LLE correlation equation have been derived using only the NRTL equation.
Compounds
# Formula Name
1 C15H22N2O3S 1-butyl-3-methylimidazolium tosylate
2 C2H6O ethanol
3 C4H10O butan-1-ol
4 C6H14O hexan-1-ol
5 C8H18O octan-1-ol
6 C10H22O decan-1-ol
7 C6H14 hexane
8 C6H6 benzene
9 C7H8 toluene
10 C8H10 ethylbenzene
11 C9H12 propylbenzene
12 C4H4S thiophene
13 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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 13
  • 1
  • Eutectic temperature, K ; Crystal - 13
  • Crystal - 13
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 13
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 13
  • Crystal - 13
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 13
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 20
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 14
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 16
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 20
  • POMD
  • 5
  • 1
  • Eutectic temperature, K ; Crystal - 5
  • Crystal - 5
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 5
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 5
  • Crystal - 5
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 21
  • POMD
  • 6
  • 1
  • Eutectic temperature, K ; Crystal - 6
  • Crystal - 6
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 6
  • 1
  • Eutectic composition: mole fraction - 1 ; Crystal - 6
  • Crystal - 6
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • Derived from phase diagram analysis
  • 1
  • POMD
  • 6
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 25
  • POMD
  • 7
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 10
  • POMD
  • 7
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Liquid - 1
  • VISOBS
  • 8
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 23
  • POMD
  • 8
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Liquid - 1
  • VISOBS
  • 7
  • POMD
  • 9
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 24
  • POMD
  • 9
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Liquid - 1
  • VISOBS
  • 7
  • POMD
  • 10
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 15
  • POMD
  • 10
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Liquid - 1
  • VISOBS
  • 6
  • POMD
  • 11
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 13
  • POMD
  • 11
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Liquid - 1
  • VISOBS
  • 3
  • POMD
  • 12
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 22
  • POMD
  • 12
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Liquid - 1
  • VISOBS
  • 4