Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Ultrasonic and 31P NMR investigations of an acidic nuclear extractant with some monosubstituted benzenes

Dalai, B.[Biswajit], Dash, S. K.[Sarat K.], Singh, S. K.[Saroj K.], Swain, N.[Nandita], Swain, B. B.[Bipin B.]
J. Chem. Thermodyn. 2016, 93, 143-150
ABSTRACT
The ultrasonic velocity, density and viscosity of an acidic nuclear extractant namely di(2-ethylhexyl) phosphoric acid (D2EHPA) and its binary mixtures with three monosubstituted benzenes, viz., nitrobenzene, chlorobenzene and toluene were determined at temperature T = 303.15 K and at pressure p = 0.1 MPa. The experimental values were utilised to compute relaxation time, excess molar volume, excess Gibbs energy of activation of viscous flow, deviations in intermolecular free length, acoustic impedance, ultrasonic velocity and viscosity. The excess/deviation functions were fitted to fourth order Redlich Kister type polynomial equation to estimate binary coefficients and standard errors between experimental and calculated data. The nature of these functions was utilised to speculate the nature of molecular interaction between component molecules of all studied binary mixtures. Furthermore, 31P NMR spectra of pure D2EHPA and its binary mixtures with the monosubstituted benzenes were used to assess molecular interactions between components of liquid mixtures at microscopic level and to corroborate with the results obtained from bulk properties of liquid mixtures.
Compounds
# Formula Name
1 C6H5NO2 nitrobenzene
2 C6H5Cl chlorobenzene
3 C7H8 toluene
4 C16H35O4P bis(2-ethylhexyl) hydrogen phosphate
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
  • Linear variable-path acoustic interferometer
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 1
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 1
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 1
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 1
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 1
  • POMD
  • 1
  • 4
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 15
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 15
  • POMD
  • 1
  • 4
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 15
  • POMD
  • 2
  • 4
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 15
  • POMD
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 15
  • POMD
  • 2
  • 4
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 15
  • POMD
  • 3
  • 4
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Linear variable-path acoustic interferometer
  • 15
  • POMD
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 15
  • POMD
  • 3
  • 4
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 15