REDETERMINATION OF THE INTERMOLECULAR POTENTIAL FOR KRYPTON

Journal Article · Wed Jun 01 04:00:00 EDT 1960 · Journal of Chemical Physics (U.S.)

DOI:https://doi.org/10.1063/1.1731030· OSTI ID:4180884

Mason, E A

The intermolecular potential for krypton was redetermined from transport property data, including new experimental resuits on thermal diffusion and thermal conductivity. Both the Lennard-Jones and the exp-6 potential functions were used and reproduce the data about equally well. The parameter alpha of the exp-6 potential is not uniquely determined by the data, but a tentative selection of alpha = 13.5 was made semiempirically on the basis of the theory of the dispersion energy and the consistency with the other rare-gas potentials. The most important conclusion is that there is a large discrepancy, not found for the other rare gases, between the present results and the experimentul crystal properties and second virial coefficient. No amount of parameter adjustment has been able to reduce the discrepancy to a reasonably acceptable value. Possible explanations and innplications of this unusual and unsatisfactory situation are discussed. (auth)

• Research Organization: Univ. of Maryland, College Park
• Sponsoring Organization: USDOE
• NSA Number: NSA-14-018911
• OSTI ID: 4180884
• Journal Information: Journal of Chemical Physics (U.S.), Journal Name: Journal of Chemical Physics (U.S.) Vol. Vol: 32; ISSN JCPSA
• Country of Publication: Country unknown/Code not available
• Language: English

Related Subjects

CHEMICAL REACTIONS
CHEMISTRY
CRYSTALS
KRYPTON
QUANTITATIVE ANALYSIS
RARE GASES
REACTIVITY
THERMAL CONDUCTIVITY
THERMAL DIFFUSION
TRANSPORT