Thermodynamic Properties of Liquid Alkali Metals

Abstract

The internal energy, entropy and Helmholtz free energy of liquid alkali metals, viz. Na, K, Rb and Cs are investigated using pseudopotential perturbation scheme based on Gibbs-Bogoliubov variational technique. A local pseudopotential is applied to describe the electron-ion interaction in the liquid alkali metals. To introduce the exchange and correlation effects, the local field correction function proposed by Taylor is employed. The computed values for internal energy, entropy and Helmholtz free energy for the liquid alkali metals are in excellent agreement with the experimental data.

Thermodynamical Investigation of Liquid Alkali Metals with Gibbs-Bogoliubov Method

“…It also shows that the change in trend, the deviation of our results from experimental values of the internal energy EINT in case of Li is comparatively less and in case of other than Li is found more, whereas for results of Vora [3] and for results cited in article [1] the situation is inverse. This trend in results favors the results of Thakor et al [14,15].…”

“…Many of the alkali metals have their melting points at or near to room temperature which makes necessary to investigate the properties of elements of this group in the liquid phase. The pseudopotential theory has proven its importance in the study of the liquid metals and alloys [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19], but the liquid state of metal is very difficult to study with a very less adjustment in the parameter(s) of model potential because of its complex electron-ion interaction behavior in this state.…”

Comparative studies of role of different structure factors in various physical properties of some simple liquid metals

“…Additionally, they have demonstrated amazing hard and soft sphere structure calculations. They have clarified that the soft sphere model depends on the packing fraction η for the derivation of the structure factor, just like the hard sphere equations [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24]. They have also calculated the thermodynamic properties of few elements.…”

“…Thakor et al [15] demonstrated that the thermodynamic characteristics of liquid alkali metals vary on temperature. The PYHS approach was combined with the Gibbs-Bogoliubov variational technique and the pseudopotential to determine the thermodynamic characteristics.…”

Structural Study of Liquid Rare Earth Metals From Charged Hard Sphere Reference Fluid

“…Here we have introduced some repulsive part outside the core which vanishes faster than only Coulomb potential −Ze 2 /r as r → ∞. Moreover, it may be noted that the inclusion of this repulsive term outside the core makes the effective core smaller than the ionic radius of a free ion [6][7][8][9][10][11][12].…”