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Baghernejad, M., Zare, K.. (1392). Estimation of second virial coefficients for rare gases in thermodynamic views. , 10(2), 107-115.
M. Baghernejad; K. Zare. "Estimation of second virial coefficients for rare gases in thermodynamic views". , 10, 2, 1392, 107-115.
Baghernejad, M., Zare, K.. (1392). 'Estimation of second virial coefficients for rare gases in thermodynamic views', , 10(2), pp. 107-115.
Baghernejad, M., Zare, K.. Estimation of second virial coefficients for rare gases in thermodynamic views. , 1392; 10(2): 107-115.

Estimation of second virial coefficients for rare gases in thermodynamic views

Journal of Physical & Theoretical Chemistry
مقاله 4، دوره 10، شماره 2، مهر 2013، صفحه 107-115  XML اصل مقاله (284.93 K)
نوع مقاله: Research Paper
نویسندگان
M. Baghernejad* ؛ K. Zare*
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چکیده
Using the Gaussian 2003 software and MP2/ 6–311 ++ G** method for He: He, Ne:Ne and
MP2/6-31G method for Ar: Ar, Kr: Kr and HF/STO-3G method for Xe: Xe, the optimized
interaction energies between two like atoms of rare gases (He, Ne, Ar, Kr and Xe) as a function
of the distances between the centers of two considered atoms were evaluated and the results
were interpreted according to the Lennard – Jones equation . In addition, the second virial
coefficient of each rare gas was calculated upon the appropriate equations of statistical
thermodynamics. The resultent coefficients were comparable with those are available in the
literature.
کلیدواژه‌ها
Rare gases؛ Lennard – Jones Potential؛ Virial coefficient
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