The Ratio D int /D between the Coefficients for the Diffusion of Internal Energy and of Self Diffusion in Thermal Conductivity Data Correlations for Gases of Linear Molecules
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Highly consistent sets of generalized cross sections are used to judge critically correlations of the thermal conductivity in the limit of zero density for nitrogen, carbon monoxide, and carbon dioxide. The correlations were developed by Millat, Vesovic, and Wakeham some years ago using restricted experimental information in order to deduce a set of generalized cross sections as consistent as possible for the extrapolation beyond the temperature range of the primary experimental data. Recently, the generalized cross sections needed have been evaluated by means of classical trajectory calculations for rigid rotors on the basis of accurate anisotropic ab initio potential energy hypersurfaces including a new improved way to take into account the vibrational degrees of freedom. It is shown that the ratio between the coefficients of internal energy and of self diffusion Dint /D was not appropriately chosen and that this effect was extensively compensated in a fortuitous way in the course of the development of the data correlations by a likewise unsuitable choice of the ratio A* between the effective cross sections of viscosity and self-diffusion.
Keywordscarbon monoxide carbon dioxide data correlation diffusion coefficient of internal energy nitrogen thermal conductivity.
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- 1.McCourt, F.R.W., Beenakker, J.J.M., Köhler, W.E., Kuščer, I. 1990Nonequilibrium Phenomena in Polyatomic Gases, Vols 1 and 2Oxford ScienceOxford.1991Google Scholar
- 2.Maitland, GC., Rigby, M., Smith, EB., Wakeham, WA. 1978Intermolecular Forces. Their Origin and DeterminationClarendon PressOxford.Google Scholar
- 3.Heck, E.L., Dickinson, AS. 1994Mol Phys.811325Google Scholar
- 4.Heck, EL., Dickinson, AS., Vesovic, V. 1994Mol Phys.83907932Google Scholar
- 5.HeckE.L. Dickinson, AS. 1995Physica A217107Google Scholar
- 8.Bich, E., Bock, S., Vogel, E. 2002Physica.31159Google Scholar
- 14.Millat, J., Wakeham, WA. 1989J. Phys. Chem. Ref. Data.18565Google Scholar
- 15.Millat, J., Mustafa, M., Ross, M., Wakeham, WA., Zalaf, M. 1987Physica.145A461Google Scholar
- 16.Vesovic, V., Wakeham, WA., Olchowy, GA., Sengers, JV., Watson, J.T.R., Millat, J. 1990J. Phys. Chem. Ref. Data.19763Google Scholar
- 17.Millat J., Vesovic V., and Wakeham WA., in Transport Properties of Fluids, Millat J., Dymond JH., and C. A. Nieto de Castro, eds. (Cambridge Univ. Press, Cambridge,1996), Chap. 4.Google Scholar
- 18.Maitland, G.C., Mustafa, M., Wakeham, WA. 1983J. Chem. Soc. Faraday Trans.21425Google Scholar
- 19.Kagan, Y., Afanasev, AM. 1962Soviet Phys. J. Exper. Theor. Phys. (Engl. transl.)141096Google Scholar
- 21.Millat, J, Plantikow, A., Mathes, D., Nimz, H. 1988Z. Phys. Chem. Leipzig.269865Google Scholar
- 28.Vesovic, V., Wakeham, WA. 1992Int. Rev. Phys Chem.11161194Google Scholar
- 29.Wakeham, W.A., Vesovic, V. 1992The Status and Future Developments in the Study of Transport PropertiesWakeham, WA.Dickinson, AS.McCourt, F. R. W.Vesovic, V. eds. NATO ASI Series CKluwer AcademicDordrecht2955Google Scholar