Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones

Papovic, S.[Snezana], Gadzuric, S.[Slobodan], Tot, A.[Aleksandar], Bester-Rogac, M.[Marija], Pavlovic, K.[Ksenija], Vranes, M.[Milan]
J. Chem. Thermodyn. 2017, 107, 170-181
ABSTRACT
Experimental densities and viscosities of binary mixtures of 1-butyl-3-methylimidazolium bis(trifluoro methylsulfonyl)imide ionic liquid, [bmim][NTf2], with selected lactones, namely: b-butyrolactone (BBL), c-valerolactone (GVL), d-valerolactone (DVL) and e-caprolactone (ECL), are measured at atmospheric pressure (p = 0.1 MPa) in the temperature range from T = (293.15 to 323.15) K over the whole composition range. From the experimental density and viscosity results, we data calculated excess parameters and fitted using Redlich Kister s polynomial equation. The thermal expansion coefficients are also derived from the acquired experimental density values. Derived density and viscosity are compared with available literature data for the corresponding {[bmim][NTf2] + GBL (c-butyrolactone)} binary mixtures. Volumetric and viscometric parameters indicate different interactions and geometrical fitting of the lactone molecule with ionic liquid depending on the number of carbon atoms of the lactone. Thermodynamic parameters of viscous flow are also calculated. The influence of the molecular solvent structure and effects of the lactones properties on the nature of interactions in the studied binary mixtures with [bmim][NTf2] are discussed from the obtained volumetric and viscosity values and also density functional theory calculations provided in this work.
Compounds
# Formula Name
1 C4H6O2 4-methyl-2-oxetanone
2 C5H8O2 .gamma.-valerolactone
3 C5H8O2 1-oxacyclohexan-2-one
4 C6H10O2 6-hexanolactone
5 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)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
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 7
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 7
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 7
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 7
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 7
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 7
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 7
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 7
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 7
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 7
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 7
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 91
  • POMD
  • 1
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 91
  • POMD
  • 2
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 91
  • POMD
  • 2
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 91
  • POMD
  • 3
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 91
  • POMD
  • 3
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 91
  • POMD
  • 4
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 91
  • POMD
  • 4
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 91