Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Phase equilibria study of binary systems comprising an (ionic liquid + hydrocarbon)

Domanska, U.[Urszula], Roguszewska, M.[Marlena], Krolikowski, M.[Marek], Ramjugernath, D.[Deresh], Naidoo, P.[Paramespri]
J. Chem. Thermodyn. 2015, 83, 90-96
ABSTRACT
In this study, the interaction of two ionic liquids with hydrocarbons has been investigated. With this aim, (solid + liquid) equilibria (SLE) and (liquid + liquid) equilibria (LLE) for binary systems of {1-methyl-1- propyl-pyrrolidinium triflate [PMPyr][CF3SO3] + heptane, or benzene, or thiophene, or benzothiophene} and {N-butyl-4-cyanopyridinium tricyanomethanide [BCN4Py][TCM] + heptane, or toluene, or 2-methylthiophene, or benzothiophene} were measured at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from (T = 270 to 370) K. An upper critical solution temperature (UCST) was detected for all mutually immiscible systems. The immiscibility gap for [BCN4Py][TCM] in benzene and thiophene is larger than those for [PMPyr][CF3SO3]. Conversely, in heptane it is slightly larger for [PMPyr][CF3SO3]. The basic thermal properties of the pure ILs, i.e. melting and glass-transition temperatures as well as the enthalpy of fusion have been measured using a differential scanning microcalorimetry technique (DSC). The well-known NRTL model has been used to correlate the experimental SLE data points.
Compounds
# Formula Name
1 C9H18F3NO3S 1-methyl-1-propylpyrrolidinium triflate
2 C14H13N5 N-butyl-4-cyanopyridinium tricyanomethanide
3 C7H16 heptane
4 C6H6 benzene
5 C7H8 toluene
6 C4H4S thiophene
7 C5H6S 2-methylthiophene
8 C8H6S benzo[b]thiophene
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 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • 1
  • Monotectic temperature, K ; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Crystal - 1
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 20
  • POMD
  • 3
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 8
  • POMD
  • 4
  • 1
  • Monotectic temperature, K ; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Crystal - 1
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 24
  • POMD
  • 6
  • 1
  • Monotectic temperature, K ; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Crystal - 1
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 6
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 39
  • POMD
  • 6
  • 1
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 1
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 23
  • POMD
  • 8
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • VISOBS
  • 8
  • POMD
  • 2
  • 3
  • Monotectic temperature, K ; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Crystal - 2
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 8
  • POMD
  • 2
  • 3
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 2
  • POMD
  • 2
  • 5
  • Monotectic temperature, K ; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Crystal - 2
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 14
  • POMD
  • 2
  • 5
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 3
  • POMD
  • 2
  • 7
  • Monotectic temperature, K ; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Crystal - 2
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 18
  • POMD
  • 2
  • 7
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 4
  • POMD
  • 2
  • 8
  • Monotectic temperature, K ; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Crystal - 2
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • 8
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • VISOBS
  • 20