An intermolecular potential for nitrogen from a multi-property analysis

被引:62
作者
Cappelletti, D [1 ]
Vecchiocattivi, F
Pirani, F
Heck, EL
Dickinson, AS
机构
[1] Univ Perugia, Ist Tecnol Chim, I-06123 Perugia, Italy
[2] Univ Perugia, Dipartimento Chim, I-06123 Perugia, Italy
[3] Univ Newcastle Upon Tyne, Dept Phys, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England
关键词
D O I
10.1080/002689798169177
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
New measurements are reported for the velocity dependence of the integral cross-section for N-2-N-2 scattering showing the glory oscillations. These data are analysed along with recent high precision second-virial coefficient data and traditional transport property measurements to yield an improved N-2-N-2 potential energy surface by adjusting certain parameters in the fit to this surface by van der Avoird et al. The new potential gives improved agreement with the integral cross-section, virial and transport data. Transport and relaxation cross-sections sensitive to anisotropy are very close to those obtained previously using the van der Avoird et al. surface. New comparisons with rotational relaxation and NMR relaxation data are reported.
引用
收藏
页码:485 / 499
页数:15
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