STUDY OF THERMODYNAMIC PROPERTIES OF LIQUID BINARY ALLOYS BY A PSEUDOPOTENTIAL METHOD

On the basis of the Percus-Yevick hard sphere model as a reference system and the Gibbs-Bogoliubov inequality, a thermodynamic perturbation method is applied with the use of the well-known model potential. By applying a variational method, the hard core diameters are found which correspond to a minimum free energy. With this procedure, the thermodynamic properties such as the internal energy, entropy, Helmholtz free energy, entropy of mixing, and heat of mixing are computed for liquid NaK binary systems. The influence of the local field correction functions of Hartree, Taylor, Ichimaru-Utsumi, Farid-Heine-Engel-Robertson, and Sarkar-Sen-Haldar-Roy is also investigated. The computed excess entropy is in agreement with available experimental data in the case of liquid alloys, whereas the agreement for the heat of mixing is poor. This may be due to the sensitivity of the latter to the potential parameters and dielectric function.
Автор:  Aditya M. Vora
Ключевые слова:  pseudopotential method, liquid NaK alloys, Percus-Yevick (PY) hard sphere model, local field correction functions, thermodynamic properties.
Стр:  1004