TY - JOUR

T1 - Modeling of phase equilibria in the La2O3-SrO-ZrO2 system using NUCLEA Database

AU - Столярова, Валентина Леонидовна

AU - Ворожцов, Виктор Алексеевич

AU - Альмяшев, Вячеслав Исхакович

PY - 2024/7/17

Y1 - 2024/7/17

N2 - Abstract: The goal of this work was to study phase equilibria in the La2O3–SrO–ZrO2 system, which is a promising base for high-temperature ceramics and materials with unique optical, electrochemical, and catalytic properties. Thermodynamic modeling of phase equilibria in this system was carried out using the NUCLEA database and GEMINI2 (Gibbs Energy Minimizer) software. One polythermal and thirteen isothermal sections of the La2O3–SrO–ZrO2 phase diagram were calculated in the temperature range 600–3023 K. The obtained data on La2O3–SrO–ZrO2 phase equilibria were discussed with reference to information available on the corresponding binary systems. The modeled phase relations in the ternary system under study correlate completely with the phases existing in the corresponding binary systems. The temperature evolution of the phase relations and boundaries of single-phase, two-phase, and three-phase areas in the system were considered. Four ternary eutectic points were identified at 2039, 2105, 2120, and 2351 K.

AB - Abstract: The goal of this work was to study phase equilibria in the La2O3–SrO–ZrO2 system, which is a promising base for high-temperature ceramics and materials with unique optical, electrochemical, and catalytic properties. Thermodynamic modeling of phase equilibria in this system was carried out using the NUCLEA database and GEMINI2 (Gibbs Energy Minimizer) software. One polythermal and thirteen isothermal sections of the La2O3–SrO–ZrO2 phase diagram were calculated in the temperature range 600–3023 K. The obtained data on La2O3–SrO–ZrO2 phase equilibria were discussed with reference to information available on the corresponding binary systems. The modeled phase relations in the ternary system under study correlate completely with the phases existing in the corresponding binary systems. The temperature evolution of the phase relations and boundaries of single-phase, two-phase, and three-phase areas in the system were considered. Four ternary eutectic points were identified at 2039, 2105, 2120, and 2351 K.

KW - CALPHAD

KW - NUCLEA database

KW - composition–temperature diagrams

KW - phase equilibria

KW - thermodynamic modeling

UR - https://www.mendeley.com/catalogue/855ff822-32b9-34eb-a3ce-1e2c98cd7c77/

U2 - 10.1134/s0036023623602957

DO - 10.1134/s0036023623602957

M3 - Article

VL - 69

SP - 394

EP - 406

JO - Russian Journal of Inorganic Chemistry

JF - Russian Journal of Inorganic Chemistry

SN - 0036-0236

IS - 3

ER -