Second virial coefficients and interatomic potentials for inert gases

1975 ◽  
Vol 63 (6) ◽  
pp. 2767-2768 ◽  
Author(s):  
J. A. Barker
Keyword(s):  
Virial Coefficients ◽  
Inert Gases ◽  
Interatomic Potentials ◽  
Second Virial Coefficients

Parameters of the Morse Potential from Second Virial Coefficients of Gases

1987 ◽  
Vol 42 (5) ◽  
pp. 447-450 ◽  
Author(s):  
Akira Matsumoto
Keyword(s):  
Temperature Dependence ◽  
Morse Potential ◽  
Virial Coefficient ◽  
Second Virial Coefficient ◽  
Virial Coefficients ◽  
Polyatomic Molecules ◽  
Inert Gases ◽  
Second Virial Coefficients ◽  
Analytic Expression

An analytic expression for the second virial coefficient in case of the Morse potential is derived. The parameters of the Morse potential are determined for eighteen species comprising inert gases, diatomic and polyatomic molecules, and mixtures of gases using experimental second virial coefficients. The calculated second virial coefficients based on the obtained Morse potential agree well with the empirical second virial coefficients and their temperature dependence.

Predictions of adiabatic Joule–Thomson coefficients based on modern potentials for noble gases

1976 ◽  
Vol 54 (16) ◽  
pp. 2617-2627 ◽  
Author(s):  
Vijay P. S. Nain ◽  
Ronald A. Aziz
Keyword(s):  
Experimental Data ◽  
Virial Coefficients ◽  
Inert Gases ◽  
Quantum Corrections ◽  
Intermolecular Potentials ◽  
Second Virial Coefficients ◽  
Empirical Relations ◽  
Pressure Region ◽  
Thomson Coefficient ◽  
Realistic Potentials

The predictions of the Joule–Thomson coefficient for the inert gases on the basis of numerous intermolecular potentials are calculated and compared with directly measured experimental data and derived values from p–V–T measurements. For all Systems, the agreement is good except for TFD potentials derived by Gustafsson for He and Ne. We have also shown that the kinetic energy corrections in the low pressure region are not as high as those suggested by Gustafsson. Inversion temperatures are also calculated and recommended values are presented. Also presented are empirical relations which give as a function of temperature, second virial coefficients including the first two quantum corrections for many of the realistic potentials.

The Bender Equation of State and Virial Coefficients

2000 ◽  
Vol 65 (9) ◽  
pp. 1464-1470 ◽  
Author(s):  
Anatol Malijevský ◽  
Tomáš Hujo
Keyword(s):  
Equation Of State ◽  
Virial Coefficient ◽  
Virial Coefficients ◽  
Low Density ◽  
Second Virial Coefficients ◽  
The Third ◽  
Temperature Dependences ◽  
Experimental Values

The second and third virial coefficients calculated from the Bender equation of state (BEOS) are tested against experimental virial coefficient data. It is shown that the temperature dependences of the second and third virial coefficients as predicted by the BEOS are sufficiently accurate. We conclude that experimental second virial coefficients should be used to determine independently five of twenty constants of the Bender equation. This would improve the performance of the equation in a region of low-density gas, and also suppress correlations among the BEOS constants, which is even more important. The third virial coefficients cannot be used for the same purpose because of large uncertainties in their experimental values.

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