Concentration dependencies of the Helmholtz free energy of mixing are calculated for liquid Li-Rb, K-Rb and Li-Na alloys at different temperatures by using the variational method of the thermodynamic perturbation theory and the first-principle pseudopotential with the true wave functions instead of the pseudo-wave ones employed for calculation the screening potential. An excellent agreement with the experimental phase diagram is achieved in description of the phase separation in Li-Rb alloy. The ideal mixing in K-Rb alloy and the phase-separation tendency in Li-Na alloy are obtained only at temperatures that are higher than ones observed experimentally.
Original languageEnglish
Pages (from-to)383-388
Number of pages6
JournalРасплавы
Issue number4
DOIs
Publication statusPublished - 2018

    Level of Research Output

  • VAK List

    GRNTI

  • 29.00.00 PHYSICS

ID: 11474503