Determination of structure of liquid alkali metals using thermodynamic perturbation theory
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Abstract (EN)
In this thesis, the pair correlation functions g(r) and static structure factors S(q) that describe the structural form of the liquid alkali metals have been determined in the pseudopotential formalism by the method of approximate numerical solution of the integral equations of the liquid state theory and the method of approximation based on the thermodynamic perturbation theory. In both methods, the structural form has been obtained by empty core pseudopotential and local Heine-Abarenkov pseudopotential. In the thermodynamic perturbation theory, the structures of liquid alkali metals have been calculated by using a more realistic and effective pair potential from the structure of the reference hard sphere fluid under the approximation of Weeks-Chandler-Andersen, random phase and optimized random phase. Having compared the structural data obtained in both methods with the experimental data it is seen that both are compatible. It can be suggested that the structural data obtained by these methods can be effectively used to calculate the physical characteristics of the liquid alkali metals.
Author
Hüseyin Birtan Kavanoz
How to Cite
Hüseyin Birtan Kavanoz (Doctorate thesis). Determination of structure of liquid alkali metals using thermodynamic perturbation theory, 1995, Yıldız Technical University.
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