Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico
محورهای موضوعی : Journal of Physical & Theoretical ChemistrySoheila Ghaderi 1 , Fariba Sadat Hashemi 2 , Ladan Mokhbersafa 3
1 - Department of Central Laboratory, Razi Vaccine and Serum Research Institute, Karaj, Alborz, Iran
2 - Department of Physical Chemistry, Faculty of Physics and Chemistry, Alzahra University, Tehran, Iran
3 - Quality Assurance Deputy, Razi Vaccine and Serum research Institute, Hesarak, Karaj Alboorz, Iran
کلید واژه: Yukawa potential, Noble gasses, Soft- Core potential, Long range energy,
چکیده مقاله :
The understanding of the intermolecular pair potential is important for determining the physical andchemical properties of the matter. The new data for noble gasses was calculated with Soft-CoreDouble Yukawa Potential (SCDY). We studied the effect of the Soft- Core potential on the phasebehavior with Hartree-Fock-Dispersion (HFD) Potential. This model had a steep repulsionexponential term and double Yukawa potential which represents correctly the radial dependence ofrepulsive and long range energy respectively. The method was analyzed using sigma plot (SP-13)software. In order to find a correlation between variables Spearman correlation coefficient was used.Results showed that high content values for Ne-Ne, Ar-Ar, Kr-Kr, Xe-Xe of the pair potential whichwere fitted with HFD-B Potential. This work was used the Yukawa potential and evaluation of it’sthe parameters to present potential. The results were accurate and in according to previous studies. Inconclusion, was summarized that potential was adjusted in two forms of (HFD and SCDY) potentials.
