QD370 : prediction of static structure factor for mixture of liquid mextals baxsed on the mean spherical approximation(MSA) using hard_core Yukawa interaction(H-Y)
Thesis > Central Library of Shahrood University > Chemistry > MSc > 2021
Authors:
Pegah jafari [Author], Hosein Nikoufard[Supervisor]
Abstarct: In this thesis, the structure factor, S(k) was studied using a theoretical methosd structure mixture of liquid alkali mextals. To calculaed the structure factor for these materials, we used an analytical exxpression for the fourier transform of the direct correlation function, c(k). In this model, the intermolecular intreractions were assumed via a pair hard core-Yukawa potential, in which involved the effect of neighboring molecules in each temperature and density. The knowing Ghatee-Bahadori equation of state was used to calculate effective intermolecular parameters in wide range of temperature and density. The behavior of structure factor for both Na and Rb inpure state, and also for Cs-Rb and Na-Cs binary mixture were studied through the proposed model. The obtained results were compared with the available experimental data and a good agreement was obtained. The rules of mixing and combination of mixtures were applied to calculate the structure factor of binary mixture of liquid alkali mextals. The effect of binary mixture composition on the structure factor behavior of the Cs-Rb and Na-Cs mixture was studied and the obtained results were compared with experimental data. Finally, the density and temperature dependences of the effective inatermolecular parameters including the molecular diameter and potential well depth of the Cs-Rb were investigated and an equations was obtained to show the variation of potential well depth in different thermodynamic regions.
Keywords:
#Pair hard core-Yukawa potential #Binary mixture #Mixing rules #Rules of combination #Ghatee-Bahadori equation #Direct correlation function Keeping place: Central Library of Shahrood University
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