Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubilities of hydrofluorocarbons in ionic liquids: Experimental and modelling study

Sousa, J. M. M. V.[Jose M.M.V.], Granjo, J. F. O.[Jose F.O.], Queimada, A. J.[Antonio J.], Ferreira, A. G. M.[Abel G.M.], Oliveira, N. M. C.[Nuno M.C.], Fonseca, I. M. A.[Isabel M.A.]
J. Chem. Thermodyn. 2014, 73, 36-43
ABSTRACT
In this work, experimental data on the gas solubility of hydrofluorocarbons (CHF3, CH2F2 and CH3F) in four room-temperature ionic liquids (RTILs) were determined within the temperature range 288 K to 308 K and at atmospheric pressure. The RTILs used were 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl) imide([C2mim][NTf2]), (trihexyl)tetradecyl-phosphoniumbis(trifluoro-methylsulfonyl) imide ([P6,6,6,14][NTf2]), and N-methyl-2-hydroxyethylammoniumpropionate ([m-2-HEA][Pr]) and pentanoate ([m-2-HEA][P]). Two modelling approaches, which we denote as predictive and correlative, were compared. In the former, the cubic plus association equation of state (CPA EoS) is used as a predictive model to estimate the solubilities using only pure components physical properties. In the latter, the regular-solution theory is the basis to build an empirical model whose parameters are obtained through least-squares fitting of experimental values.
Compounds
# Formula Name
1 CHF3 trifluoromethane
2 CH2F2 difluoromethane
3 CH3F fluoromethane
4 C34H68F6NO4PS2 trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]imide
5 C6H15NO3 2-hydroxy-N-methylethanaminium propionate
6 C8H19NO3 2-hydroxy-N-methylethanaminium pentanoate
7 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
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
  • 7
  • Mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Volumetric Method
  • 5
  • POMD
  • 2
  • 7
  • Mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Volumetric Method
  • 5
  • POMD
  • 3
  • 7
  • Mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Volumetric method
  • 5
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5
  • POMD
  • 3
  • 5
  • Mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5
  • POMD
  • 3
  • 6
  • Mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5
  • POMD
  • 2
  • 6
  • Mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • volumetric method
  • 5