Presentation of the Soft-Core Double Yukawa Potential for Noble Gasses using in sillico

Abstract

The understanding of the intermolecular pair potential is important for determining the physical and<br />chemical properties of the matter. The new data for noble gasses was calculated with Soft-Core<br />Double Yukawa Potential (SCDY). We studied the effect of the Soft- Core potential on the phase<br />behavior with Hartree-Fock-Dispersion (HFD) Potential. This model had a steep repulsion<br />exponential term and double Yukawa potential which represents correctly the radial dependence of<br />repulsive and long range energy respectively. The method was analyzed using sigma plot (SP-13)<br />software. In order to find a correlation between variables Spearman correlation coefficient was used.<br />Results showed that high content values for Ne-Ne, Ar-Ar, Kr-Kr, Xe-Xe of the pair potential which<br />were fitted with HFD-B Potential. This work was used the Yukawa potential and evaluation of it's<br />the parameters to present potential. The results were accurate and in according to previous studies. In<br />conclusion, was summarized that potential was adjusted in two forms of (HFD and SCDY) potentials.