Test of the Li+–He interaction potential
The mobility of Li+ ions in He has been measured at a gas temperature of 300 °K over a wide range of E/N, where E is the electric field intensity and N is the gas number density. A new theory of ion mobility is used to calculate from these data the standard Ω integral ?(1,1) of kinetic theory for Li...
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Veröffentlicht in: | The Journal of chemical physics 1975-01, Vol.63 (5), p.2238-2241 |
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Hauptverfasser: | , , , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | The mobility of Li+ ions in He has been measured at a gas temperature of 300 °K over a wide range of E/N, where E is the electric field intensity and N is the gas number density. A new theory of ion mobility is used to calculate from these data the standard Ω integral ?(1,1) of kinetic theory for Li+ in He over a range of effective gas temperature extending from 300 to 28 700 °K. The ab initio quantum mechanical interaction potential for the Li+–He system computed by Catlow et al. is also used to calculate ?(1,1) as a function of Teff. A comparison of the two sets of data serves as a test of the Catlow potential. The test is extended to still higher effective temperatures (up to 60 000 °K) by comparison with values of ?(1,1) computed from the short-range repulsive potential derived from Li+ beam scattering experiments in helium. The Catlow potential reproduces the general features of the dependence of the ’’experimental’’ Ω integral on Teff over the entire range of the test. However, significant discrepancies exist; they could be resolved by making substantial alterations in the Catlow potential in the region of short ion–atom separation distance and smaller adjustments in the region of the potential minimum. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.431607 |