EVALUATION OF TRANSPORT PROPERTIES OF GASES - BRUCH-MCGEE POTENTIAL FOR HELIUM

被引:27
作者
KELLER, JM
TAYLOR, WL
机构
[1] Monsanto Research Corporation, Mound Laboratory, Miamisburg
关键词
D O I
10.1063/1.1671874
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
The transport properties and second virial coefficient of helium have been calculated for two hybrid intermolecular potentials recently proposed by Bruch and McGee, and the results are compared with experi-mental values. Tables of transport collision integrals for the helium isotopes which are accurate to several parts per thousand were prepared for the temperature range 0.8-2500°K in order to adequately span the existing data. The collision integrals were computed by an exact quantum phase-shift calculation at low temperatures followed by a JWKB approximation and classical calculation at intermediate and high tem-peratures, respectively. The bulk properties were then evaluated using the prepared tables. The agreement with experimental measurements for the various properties at low temperatures is rather poor when com-pared with the results calculated using the Lennard-Jones (12-6) potential. We conclude that this is due to excessive depth of the potential well. On the other hand, the calculations above approximately 150°K agree quite well with experimental data which leads us to the conclusion that the low-energy repulsive region of either hybrid potential is a good representation of the helium-helium interaction. Since the potentials are essentially identical in this region and independent of the long-range attractive terms, it is suggested that for practical applications the Morse-FOD potential be truncated to the much simpler Morse potential with the given parameters and its region of validity restricted to temperatures above 150°K.
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页码:4829 / &
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