Thermodynamic modeling of liquid binary alloys of the Al–Er system

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Abstract

The paper presents the results of a study of the thermochemical properties of the Al–Er system. The thermodynamic characteristics were evaluated (△fH0298, S0298, (H0298−H00), Cp(T) and Cp(liq)) for the intermetallic compounds Al3Er, Al2Er, AlEr, Al2Er3, AlEr2. The values of △fH0298 calculated based on the semiempirical Miedema model adapted for the group of Al–REM alloys were taken for calculations and amounted to –47.7, –58.4, –63, –55.2, –46.8 kJ/mol∙at, respectively. The mixing characteristics of liquid alloys of this system were evaluated by Terra software package for modeling the equilibrium states of heterogeneous inorganic systems with an extensive database of properties of individual substances. The model of ideal solutions of interaction products was used as a computational model. Modeling of equilibrium composition and properties of melts was carried out in the temperature range of 1900–2100 K, in an argon atmosphere at a total pressure of 0.1 MPa in the system. Comparison of the obtained results with the simulation results in the approximation of an ideal solution, allowed us to determine the excess integral thermodynamic properties of liquid alloys (Gibbs energy, enthalpy, and entropy). It is shown that in the studied temperature range, with an increase of temperature, there is a natural, though not significant, decrease in the values of these parameters by absolute value. It is established that the formation of liquid alloys of the Al–Er system is accompanied by significant heat release: the value of the integral enthalpy of mixing at a temperature T = 2100 K is –58.9 kJ/ mol∙at. When comparing the thermochemical properties of the Al–Er system with the binary systems Al–Y and Al–Sc studied by the same methods, it is shown that all energy curves pass through the extremum at XSc,Y,Er ≈ 0.5. The strongest interaction of the components is observed in the Al–Y system, (ΔHmix = –58.9 kJ/mol∙at), which is close enough to the maximum modulo value of the enthalpy of mixing in the Al–Er system. The weakest interaction is observed in the Al–Sc system (ΔHmix = –44.8 kJ/mol·at). The results obtained in this work provide a theoretical basis for further experimental study of erbium–containing aluminum alloys.

About the authors

E. S. Podkin

Institute of Metallurgy, Ural Branch of the RAS

Author for correspondence.
Email: cherdancev_egor@mail.ru
Russian Federation, Yekaterinburg

I. O. Gilev

Institute of Metallurgy, Ural Branch of the RAS

Email: cherdancev_egor@mail.ru
Russian Federation, Yekaterinburg

A. B. Shubin

1Institute of Metallurgy, Ural Branch of the RAS

Email: cherdancev_egor@mail.ru
Russian Federation, Yekaterinburg

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