QUANTUM-MECHANICAL CALCULATION OF GENERALIZED COLLISION CROSS-SECTIONS FOR THE HE-N-2 INTERACTION .2. THERMOMAGNETIC EFFECT

被引:23
作者
VESOVIC, V
WAKEHAM, WA
DICKINSON, AS
MCCOURT, FRW
THACHUK, M
机构
[1] UNIV LONDON IMPERIAL COLL SCI & TECHNOL,DEPT CHEM ENGN & CHEM TECHNOL,LONDON SW7 2BY,ENGLAND
[2] UNIV NEWCASTLE UPON TYNE,DEPT PHYS,NEWCASTLE TYNE NE1 7RU,TYNE & WEAR,ENGLAND
[3] UNIV WATERLOO,GUELPH WATERLOO CTR GRAD WORK CHEM,DEPT CHEM & PHYS,WATERLOO,ON N2L 3G1,CANADA
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1080/00268979500100361
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
For the He-N-2 system quantum mechanical calculations of the generalized cross-sections that govern thermal conductivity and the thermomagnetic effect in mixtures have been performed. The results provide a set of 'benchmark' cross-sections for atom-heavy rigid rotor systems interacting through a realistic anisotropic intermolecular potential. In addition, comparisons have been made with equivalent calculations using the classical trajectory approach. The results indicate that the more rapid classical trajectory calculations yield results of an acceptable accuracy for all of the important generalized cross-sections.
引用
收藏
页码:553 / 576
页数:24
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