Estimation of second virial coefficients for rare gases in thermodynamic views
نویسندگان
چکیده مقاله:
Using the Gaussian 2003 software and MP2/ 6–311 ++ G** method for He: He, Ne:Ne andMP2/6-31G method for Ar: Ar, Kr: Kr and HF/STO-3G method for Xe: Xe, the optimizedinteraction energies between two like atoms of rare gases (He, Ne, Ar, Kr and Xe) as a functionof the distances between the centers of two considered atoms were evaluated and the resultswere interpreted according to the Lennard – Jones equation . In addition, the second virialcoefficient of each rare gas was calculated upon the appropriate equations of statisticalthermodynamics. The resultent coefficients were comparable with those are available in theliterature.
منابع مشابه
estimation of second virial coefficients for rare gases in thermodynamic views
using the gaussian 2003 software and mp2/ 6–311 ++ g** method for he: he, ne:ne andmp2/6-31g method for ar: ar, kr: kr and hf/sto-3g method for xe: xe, the optimizedinteraction energies between two like atoms of rare gases (he, ne, ar, kr and xe) as a functionof the distances between the centers of two considered atoms were evaluated and the resultswere interpreted according to the lennard – jo...
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عنوان ژورنال
دوره 10 شماره 2
صفحات 107- 115
تاریخ انتشار 2013-07-01
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