Pair interaction potential energy function from the extended principle of corresponding states for SF6-SF6

被引:0
作者
Haghighi, B [1 ]
Oghaz, NM [1 ]
Najafi, M [1 ]
机构
[1] Univ Birjand, Dept Chem, Birjand, Iran
关键词
interaction potential; collision integrals; direct inversion method; extended principle of corresponding states;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
An iterative inversion procedure is used to obtain the effective isotropic part of the pair-interaction potential for SF6-SF6 from the extended principle of corresponding states. The Lennard-Jones (12-6) potential energy function is used as the initial model potential required by the method. Over a range of reduced temperature extending from 1 to 1000 this directly measured potential for SF6-SF6 fully agrees with the Hartree-Fock-Dispersion (HFD)-type and Morse-Morse Spline-vander Waals (MMSV)-type independently known potentials. This accurate inverted potential can be used in the calculation of the orientation-averaged viscosity collision integrals and the dimensionless ratios which are essential to calculate other transport properties. Our method can be applied to calculate the pair-interaction potential with no need for force fitting data and lengthy multi-parameter fitting procedure in all temperature ranges.
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页码:1341 / 1353
页数:13
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