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CALPHAD Modelling of Ag–Pd–Sn Ternary System
- Authors: Pavlenko A.S.1, Zhmurko G.P.1, Kabanova E.G.1, Kareva M.A.1, Ptashkina E.A.1, Kuznetsov V.N.1
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Affiliations:
- Department of Chemistry, Lomonosov Moscow State University
- Issue: Vol 97, No 9 (2023)
- Pages: 1329-1335
- Section: ХЕМОИНФОРМАТИКА И КОМПЬЮТЕРНОЕ МОДЕЛИРОВАНИЕ
- Submitted: 26.02.2025
- Published: 01.09.2023
- URL: https://rjonco.com/0044-4537/article/view/668670
- DOI: https://doi.org/10.31857/S0044453723090145
- EDN: https://elibrary.ru/XOYJQW
- ID: 668670
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Abstract
CALPHAD modelling of the Ag–Pd–Sn ternary system has been performed. The disordered phases, the melt and the fcc phase were described using the substitutional solution model. Sublattice models were used to describe intermetallic compounds and the ternary phase. The two-sublattice model (Ag,Pd)4(Ag, Sn) used for the ternary phase made it possible to reproduce the inclination of its homogeneity range. The results of the thermodynamic calculation of the Ag–Pd–Sn system are in good agreement with the experimental data on phase equilibria and enthalpies of formation of the liquid. The agreement with the data on the partial Gibbs energy of tin in the liquid is somewhat worse.
About the authors
A. S. Pavlenko
Department of Chemistry, Lomonosov Moscow State University
Email: kabanovaeg@gmail.com
Moscow, Russia
G. P. Zhmurko
Department of Chemistry, Lomonosov Moscow State University
Email: kabanovaeg@gmail.com
Moscow, Russia
E. G. Kabanova
Department of Chemistry, Lomonosov Moscow State University
Email: kabanovaeg@gmail.com
Moscow, Russia
M. A. Kareva
Department of Chemistry, Lomonosov Moscow State University
Email: kabanovaeg@gmail.com
Moscow, Russia
E. A. Ptashkina
Department of Chemistry, Lomonosov Moscow State University
Email: kabanovaeg@gmail.com
Moscow, Russia
V. N. Kuznetsov
Department of Chemistry, Lomonosov Moscow State University
Author for correspondence.
Email: vnk@general.chem.msu.ru
Moscow, Russia
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