SEMICLASSICAL CALCULATIONS OF TRANSPORT-COEFFICIENTS AND ROTATIONAL RELAXATION OF NITROGEN AT HIGH-TEMPERATURES

被引：24

作者：

BILLING, GD

WANG, LC

机构：

[1] Department of Chemistry, H. C. ØRsted Institute, University of Copenhagen

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1992年 / 96卷 / 06期

关键词：

D O I：

10.1021/j100185a033

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：

Rate coefficients for rotational relaxation and transport phenomena have been calculated for nitrogen at high temperatures by using a semiclassical method, in which the translational and rotational motion of the two molecules are treated classically whereas the vibrational motion is quantized. The results are in much better agreement with high-temperature experimental data than those obtained with a classical treatment of the vibrational motion.

引用

页码：2572 / 2575

页数：4

共 18 条

[1] N-2-N-2 INTERACTION POTENTIAL FROM ABINITIO CALCULATIONS, WITH APPLICATION TO THE STRUCTURE OF (N-2)2 [J].