Thermodynamics Research Center, ThermoML : Journal of Chemical and Engineering Data

Experimental High-Temperature, High-Pressure Density Measurement and Perturbed-Chain Statistical Associating Fluid Theory Modeling of Dimethyl Sulfoxide, Isoamyl Acetate, and Benzyl Alcohol

Paknejad, A.[Ameneh], Mohammadkhani, R.[Rokhsareh], Zarei, H.[Hosseinali]
J. Chem. Eng. Data 2019, 64, 12, 5174-5184
ABSTRACT
Experimental high-temperature, high-pressure (HTHP) density of three solvents including dimethyl sulfoxide, benzyl alcohol, and isoamyl acetate was measured at temperatures of 293.15 473.15 K and pressures up to 35 37.5 MPa. The density was measured with an Anton Paar density meter (DMA HP) at 20 K and 2.5 MPa intervals. The calibration fluids were water and benzene. The combined expanded uncertainty of density taking into account the device specification and the impurities of the materials was 1 kg*m 3 (0.95 level of confidence). The experimental density data were correlated with the Tait and new modified Tait equations. The thermal expansion coefficient (ap) and isothermal compressibility (T) were calculated with the new modified Tait equations. Moreover, the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state was used to model the density data at HTHP. In most cases, the PC-SAFT parameters are obtained from saturated vapor pressure and liquid phase density; however, these parameters were calculated from the density at HTHP in the present study. Regarding these parameters, thermodynamic properties such as the thermal expansion coefficient (ap), isothermal compressibility (T), isobaric heat capacity (CP), and speed of sound (u) were calculated. Acceptable agreement between the results with experimental data demonstrated the accuracy of modeling with the obtained parameters.
Compounds
# Formula Name
1 C2H6OS dimethyl sulfoxide
2 C7H8O benzenemethanol
3 C7H14O2 3-methylbutyl ethanoate
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 4
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 187
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 4
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 160
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 4
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 187