Wide-Ranging Reference Correlations for Dilute Gas Transport Properties Based on Ab Initio Calculations and Viscosity Ratio Measurements

@article{Rowland2020WideRangingRC,
  title={Wide-Ranging Reference Correlations for Dilute Gas Transport Properties Based on Ab Initio Calculations and Viscosity Ratio Measurements},
  author={Darren Rowland and Saif Z. S. Al Ghafri and Eric F. May},
  journal={Journal of Physical and Chemical Reference Data},
  year={2020},
  volume={49},
  pages={013101}
}
The combined use of experimental viscosity ratios together with ab initio calculations for helium has driven significant improvements in the description of dilute gas transport properties. Here, we first use improvements made to ab initio helium calculations to update viscosity ratios measured for H2, Ar, CH4, and Xe by May et al. [Int. J. Thermophys. 28, 1085 (2007)] over the temperature range of 200–400 K, reducing the uncertainties of the data to 0.055%, 0.038%, 0.067%, and 0.084… 
Reference Correlation for the Thermal Conductivity of Xenon from the Triple Point to 606 K and Pressures up to 400 MPa
A new wide-ranging correlation for the thermal conductivity of xenon, based on the most recent theoretical calculations and critically evaluated experimental data, is presented. The correlation is
Recommended Values of the Viscosity in the Limit of Zero Density for R134a and Six Vapors of Aromatic Hydrocarbons as Well as of the Initial Density Dependence of Viscosity for R134a. Revisited from Experiment Between 297 K and 631 K
Previously published experimental viscosity data at low density, originally obtained using all-quartz oscillating-disk viscometers for R134a and six vapors of aromatic hydrocarbons in the temperature
Measurements of pressure gradient and temperature gradient driven flows in a rectangular channel
Abstract The objective of this experimental investigation is to characterize the gas–surface interaction under different flow conditions. Therefore, the mass flow rates driven by a pressure gradient
JPCRD: 50 Years of Providing the Scientific Community with Critically Evaluated Thermodynamic Data, Predictive Methods, and Large Thermodynamic Data Compilations
A brief overview is provided on articles published in the Journal of Physical and Chemical Reference Data containing experimental thermodynamic data as well as group contribution methods used to
Reference Correlation for the Viscosity of Xenon from the Triple Point to 750 K and up to 86 MPa.
TLDR
A new wide-ranging correlation for the viscosity of xenon, based on the most recent theoretical calculations and critically evaluated experimental data, is presented and behaves in a physically reasonable manner when extrapolated to 200 MPa.

References

SHOWING 1-10 OF 107 REFERENCES
Ab Initio Values of the Thermophysical Properties of Helium as Standards
  • J. Hurly, M. Moldover
  • Physics, Chemistry
    Journal of research of the National Institute of Standards and Technology
  • 2000
TLDR
The ab initio results should be used as standards for calibrating instruments relying on these thermophysical properties of helium, i.e., the second virial coefficients, the dilute-gas viscosities, and the diluting-gas thermal conductivities of 3He, 4He, and their equimolar mixture from 1 K to 104 K.
Ab initio potential energy curve for the helium atom pair and thermophysical properties of the dilute helium gas. II. Thermophysical standard values for low-density helium
A helium–helium interatomic potential energy curve determined from quantum-mechanical ab initio calculations and described with an analytical representation considering relativistic retardation
Calculation of the transport and relaxation properties of methane. II. Thermal conductivity, thermomagnetic effects, volume viscosity, and nuclear-spin relaxation.
TLDR
It is suggested that the calculated transport properties of pure methane have been calculated in the rigid-rotor approximation using the recently proposed intermolecular potential energy hypersurface and the classical-trajectory method are more accurate than the currently available correlations based on the experimental data.
Ab initio potential energy curve for the neon atom pair and thermophysical properties for the dilute neon gas. II. Thermophysical properties for low-density neon
A neon–neon interatomic potential energy curve determined from quantum-mechanical ab initio calculations and described with an analytical representation (R. Hellmann, E. Bich, and E. Vogel, Molec.
Reference Values for the Second Virial Coefficient and Three Dilute Gas Transport Properties of Ethane from a State-of-the-Art Intermolecular Potential Energy Surface
The second virial coefficient and the dilute gas shear viscosity, thermal conductivity, and self-diffusion coefficient of ethane (C2H6, R-170) were determined with high accuracy at temperatures from
4He Thermophysical Properties: New Ab Initio Calculations
  • J. Hurly, J. Mehl
  • Physics, Chemistry
    Journal of research of the National Institute of Standards and Technology
  • 2007
TLDR
The ab initio results tabulated here can serve as standards for the measurement of thermophysical properties and are compared with selected data published after 2000 to correct minor errors.
Reference Viscosities of Gaseous Methane and Hydrogen Sulfide at Low Density in the Temperature Range from (292 to 682) K
An all-quartz oscillating-disk viscometer of very high precision was used to measure the temperature dependence of the viscosities of methane and hydrogen sulfide at low densities. The measurements
Calculation of the transport and relaxation properties of methane. I. Shear viscosity, viscomagnetic effects, and self-diffusion.
TLDR
The very good agreement of the calculated values with the experimental viscosity data suggests that the rigid-rotor approximation should be very reasonable for the three properties considered, and in general, the agreement for the other measured properties is within the experimental error.
Ab Initio Transport Coefficients of Gaseous Hydrogen
The spherical version of the hydrogen intermolecular potential $${\phi_{\rm P}}$$ recently determined in ab initio calculations by Patkowski et al. was used to calculate the viscosity and thermal
Update: Reference Correlation for the Viscosity of Ethane [J. Phys. Chem. Ref. Data 44, 043101 (2015)]
An update of the reference correlation for the viscosity of ethane [E. Vogel et al., J. Phys. Chem. Ref. Data 44, 043101 (2015)] was developed because recently a new zero-density viscosity
...
...