Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Using binary mixtures of dicationic ionic liquids for determination ofactivity coefficients at infinite dilution by gas-liquid chromatography

Heydar, K. T.[Kourosh Tabar], Gharavi, H. G.[Halime Gharehmoshk], Nazifi, M.[Mina], Mirzaei, M.[Mojtaba], Sharifi, A.[Ali]
Fluid Phase Equilib. 2013, 353, 93-100
ABSTRACT
This work is the continuation of our investigation into using dicationic ionic liquids (ILs) as stationaryphase in gas chromatography (Tabar Heydar K, Nazifi M, Sharifi A, Mirzaei M, Gharavi H, AhmadiSH, J. Chromatographia 76 (2013) 165). In this work, the activity coefficients at infinite dilution of 23 various solutes (alkanes, aromatics, alcohols, aldehydes, ketones, amines, chloroalkanes, ethers)have been measured in the two binary mixtures of ILs: 1,12-di(N-methylpyrrolidinium)dodecane bis(tri-fluoromethylsulfonyl)imide/1,12-di(3-methylimidazolium)dodecane bis(trifluoromethylsulfonyl)imide(1:1), [C12(mpy)2] [(NTf2)2]/[C12(mim)2] [(NTf2)2] and 1,12-di(N-methylpyrrolidinium)dodecane bis(trifluoromethylsulfonyl)imide/1,12-di(3-methylimidazolium)dodecane tetrafluoroborate (1:1),[C12(mpy)2] [(NTf2)2]/[C12(mim)2] [(BF4)2], by gas liquid chromatography (GLC) in the tem-perature range from 313 to 343 K. The same operations were performed on the neat IL: 1,12-di(N-methylpyrrolidinium)dodecane bis(trifluoromethylsulfonyl)imide, [C12(mpy)2] [(NTf2)2]at T = 313 and 323 K, in order to make a comparison between different ILs.These mixtures of dicationic ILs with different anions and the neat IL have been investigated in thisstudy for the first time. Moreover, the solvation interactions between solvents and solute molecules at 313, 343 and 373 K have been determined via Abraham solvation parameter model (linear solvationfree energy relationship [LSFER] model). The selectivities for the octane/linear alcohols, octane/polarcompounds, cyclohexane/aromatics were obtained from experimental activity coefficient data at 313 K,and compared with other ILs from the literature. The result of this comparison confirms that these ILsare potentially excellent solvents for the separation of alkanes/alcohols, alkanes/polar compounds andaliphatic/aromatic mixtures.
Compounds
# Formula Name
1 C26H46F12N4O8S4 1,12-di(N-methylpyrrolidinium)dodecane bis(trifluoromethylsulfonyl)imide
2 C7H16 heptane
3 C8H18 octane
4 C6H12 cyclohexane
5 C6H6 benzene
6 C7H8 toluene
7 CH4O methanol
8 C2H6O ethanol
9 C3H8O propan-1-ol
10 CCl4 tetrachloromethane
11 C2H4Cl2 1,2-dichloroethane
12 C2HCl3 trichloroethene
13 C2H3N acetonitrile
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
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 2; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 3
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 4
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 5
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 6
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 7
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 7; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 8
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 8; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 9
  • Activity coefficient - 9 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 9; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 10
  • Activity coefficient - 10 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 10; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 11
  • Activity coefficient - 11 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 11; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 12
  • Activity coefficient - 12 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 12; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2
  • POMD
  • 1
  • 13
  • Activity coefficient - 13 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 13; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 2