The statistical mechanics of non-spherical polyatomic molecules

Abstract

Collision integrals and equilibrium pressure and dielectric second virial coefficients are calculated for a non-spherical m-6-8 model potential energy function. The results are applied in a correlation of the physical properties of carbon dioxide. It is shown that the inclusion of non-spherical contributions in the calculation of the collision integrals has a small but significant effect with respect to the accurate representation of data. The Mason-Monchick approximation that non-spherical molecules collide with fixed relative orientations is briefly discussed. Agreement between calculated and experimental values for the viscosity coefficient, the thermal conductivity coefficient, the second virial coefficients and the isotopic thermal diffusion factor is generally satisfactory.

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Contribution from the U.S. National Bureau of Standards, not subject to copyright.

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Notes on contributors

James F. Ely

National Research Council Postdoctoral Fellow.