Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Selective recovery of aliphatics from aromatics in the presence of the {[4empy][Tf2N] + [emim][DCA]} ionic liquid mixture

Navarro, P.[Pablo], Larriba, M.[Marcos], Garcia, J.[Julian], Gonzalez, E. J.[Emilio J.], Rodriguez, F.[Francisco]
J. Chem. Thermodyn. 2016, 96, 134-142
ABSTRACT
Lately, the use of binary mixtures of ionic liquids (ILs) has been revealed as an interesting election in order to find alternative solvents in the liquid liquid extraction of aromatics from aliphatics. Specifically, the {[4empy][Tf2N] + [emim][DCA]} mixture has exhibited both aromatic selectivity and distribution ratios higher than sulfolane in the BTEX separation from several gasolines and naphthas. Moreover, its density and viscosity are comparable with those showed by sulfolane, and its thermal stability is also quite high. However, the absence of (vapor + liquid) equilibria (VLE) studies concerning aliphatics/aromatics mixtures in ILs has not led to propose a recovery section to selectively separate aliphatics, aromatics, and the IL-based solvent. For that reason, the aim of this work is to study the VLE of several {aliphatic + aromatic} systems in the presence of {[4empy][Tf2N] + [emim][DCA]} mixture over the whole composition range of the IL mixture and also at several temperatures. The results showed high aliphatic relative volatility from all aromatics, fact that would facilitate the selective separation of aliphatics, BTEX, and ILs. On the other hand, the Yalkowsky Roseman log-linear model was successfully apply to predict the phase behavior of {aliphatic + aromatic + [4empy][Tf2N] + [emim][DCA]} systems.
Compounds
# Formula Name
1 C8H11N5 1-ethyl-3-methylimidazolium dicyanamide
2 C10H12F6N2O4S2 1-ethyl-4-methylpyridinium bis((trifluoromethyl)sulfonyl)amide
3 C6H14 hexane
4 C7H16 heptane
5 C8H18 octane
6 C6H12 cyclohexane
7 C7H16 2,3-dimethylpentane
8 C6H6 benzene
9 C7H8 toluene
10 C8H10 1,4-dimethylbenzene
11 C8H10 ethylbenzene
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
  • 9
  • 3
  • 2
  • Mole fraction - 9 ; Liquid
  • Mole fraction - 9 ; Gas
  • Mole fraction - 3 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 4
  • 2
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 9 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 5
  • 2
  • Mole fraction - 5 ; Liquid
  • Mole fraction - 5 ; Gas
  • Mole fraction - 9 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 6
  • 2
  • Mole fraction - 9 ; Liquid
  • Mole fraction - 9 ; Gas
  • Mole fraction - 6 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 7
  • 2
  • Mole fraction - 7 ; Liquid
  • Mole fraction - 7 ; Gas
  • Mole fraction - 9 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 3
  • 1
  • Mole fraction - 3 ; Liquid
  • Mole fraction - 3 ; Gas
  • Mole fraction - 9 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 4
  • 1
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 9 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 5
  • 1
  • Mole fraction - 5 ; Liquid
  • Mole fraction - 5 ; Gas
  • Mole fraction - 9 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 6
  • 1
  • Mole fraction - 6 ; Liquid
  • Mole fraction - 6 ; Gas
  • Mole fraction - 9 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 9
  • 7
  • 1
  • Mole fraction - 7 ; Liquid
  • Mole fraction - 7 ; Gas
  • Mole fraction - 9 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 9; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 8
  • 4
  • 2
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 8 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 10
  • 4
  • 2
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 10 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 11
  • 4
  • 2
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 11 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 8
  • 4
  • 1
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 8 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 8; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 10
  • 4
  • 1
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 10 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 10; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3
  • POMD
  • 11
  • 4
  • 1
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 11 ; Gas
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 11; Liquid
  • Liquid
  • Gas
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • Gravimetric method + Mass balance
  • 3