摘要
Lennard Jones ( 12 6)模型是最常用的势能模型 ,被广泛地用于工程计算和科学研究。Svehla在 1962年提供的 2 0 6种物质的Lennard Jones ( 12 6)模型的势能参数一直沿用至今 ;其中 ,最主要也认为最可靠的来源都是由气体的常压粘度数据求得的。自Svehla的工作以后又有许多新的气体的粘度数据发表 ,该文根据新的气体粘度数据提供了 63种物质的Lennard Jones ( 12 6)势能参数。所有采用的气体粘度数据都是经过评选的实测数据 ,利用新的Lennard Jones ( 12 6)势能参数计算气体粘度比用Svehla的数据要好。另外 ,文中发现由气体粘度数据求取的Lennard Jones ( 12 6)
As a potential model most in use, Lennard-Jones(l2- 6) potential is widely applied in the engineering calculation and scientific research work. Lennard-Jones(l2- 6) potential parameters for 206 substances were given by Svehla in 1962, of which, the most reliable and better ones were got from gas viscosity data. Since Svehla′s work,many new and more accurate experiments have been done for measurement of gas viscosity at atmospheric pressure.Therefore, potential parameters for Lennard-Jones(l2- 6) potential of 63 substances were determined on the basis of their gas viscosity data, all of which were of experimental measurements and assessed. It was much better for calculating gas viscosity with new Lennard-Jones (12- 6) potential parameters than with that of Svehla′s. In addition, it was proved that potential parameters for Lennard-Jones(l2- 6) potential from gas viscosity data were of higher quality than that from the second virial coefficient data.
出处
《化学工程》
CAS
CSCD
北大核心
2003年第1期53-56,共4页
Chemical Engineering(China)
