Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Mass Diffusion Coefficient and Soret Coefficient of o-Dichlorobenzene Solutions of PCBM and [60]Fullerene by the Soret Forced Rayleigh Scattering Method

Matsuura, H.[Hiroaki], Iwaasa, S.[Shintaro], Nagasaka, Y.[Yuji]
J. Chem. Eng. Data 2015, 60, 12, 3621-3630
ABSTRACT
We measured the binary diffusion coefficient and the Soret coefficient in the fabrication system of organic photovoltaics (OPVs) by the holographic grating technique we call Soret forced Rayleigh scattering (SFRS). To test the validity of the apparatus we built, we here performed measurements on binary benchmark mixtures: three types of binary solutions (50 wt %) composed of n-dodecane, isobutylbenzene, and 1,2,3,4-tetrahydronaphthalene, at 298.2 K. Our experimental results for the diffusion coefficient and the Soret coefficient agree with the benchmark values within +- 10 %. The uncertainties estimated based on the Guide to the Expression of Uncertainty in Measurement (GUM) for the Soret coefficient on the benchmark mixtures are within 16 % with the coverage factor of k = 2. For OPV systems, our measurements were performed on [60]fullerene or [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) solved in o-dichlorobenzene. We evaluated the Soret coefficient and the diffusion coefficient across a wide concentration range ([60]fullerene/o-dichlorobenzene; (5 to 30) mg*mL 1 and PCBM/o-dichlorobenzene; (10 to 40) mg*mL 1) at 298.2 K and the temperature range (288.2 to 333.2) K.
Compounds
# Formula Name
1 C7H8 toluene
2 C6H14 hexane
3 C12H26 dodecane
4 C10H14 (2-methylpropyl)benzene
5 C10H12 1,2,3,4-tetrahydronaphthalene
6 C60 buckminsterfullerene
7 C6H4Cl2 1,2-dichlorobenzene
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
  • 7
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 5
  • POMD
  • 1
  • 2
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mass fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • thermal-diffusion forced Rayleigh scattering
  • 3
  • POMD
  • 3
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • thermal-diffusion forced Rayleigh scattering
  • 1
  • POMD
  • 3
  • 5
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • thermal-diffusion forced Rayleigh scattering
  • 1
  • POMD
  • 5
  • 4
  • Binary diffusion coefficient, m2/s ; Liquid
  • Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • thermal-diffusion forced Rayleigh scattering
  • 1
  • POMD
  • 7
  • 6
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 20
  • POMD
  • 7
  • 6
  • Binary diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • thermal-diffusion forced Rayleigh scattering
  • 16