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http://elar.urfu.ru/handle/10995/87533
Название: | Thermodynamics of Formation of Solid Solutions between BaZrO3 and BaPrO3 |
Авторы: | Tsvetkov, D. S. Sereda, V. V. Malyshkin, D. A. Sednev-Lugovets, A. L. Zuev, A. Yu. Ivanov, I. L. |
Дата публикации: | 2020 |
Издатель: | Уральский федеральный университет |
Библиографическое описание: | Thermodynamics of Formation of Solid Solutions between BaZrO3 and BaPrO3 / D. S. Tsvetkov, V. V. Sereda, D. A. Malyshkin, A. L. Sednev-Lugovets, A. Yu. Zuev, I. L. Ivanov // Chimica Techno Acta. — 2020. — Vol. 7, No. 2. — P. 42–50. |
Аннотация: | A linear relationship between the standard enthalpy of formation from binary oxides, ΔfH°ox, and the Goldschmidt tolerance factor, t, for some AIIBIVO3 (A = Ca, Sr, Ba; B = Ti, Zr, Hf, Ce, Pr, Tb, U, Pu, Am) perovskite oxides was used for estimation of ΔfH°ox of Pr-substituted barium zirconates BaZr1–xPrxO3. A dependence of the relative change of the standard entropies, S°298, on the relative change of the molar volumes in the reactions of formation of AIIBIVO3 (A = Ca, Sr, Ba; B = Ti, Zr, Hf, Ce) from binary oxides was also found to be linear. Using this dependence, a relatively precise method of estimating S°298 was proposed, and S°298 of BaPrO3 was calculated as (162.8 ± 2.8) J·mol–1·K–1. Knowing S°298 of BaPrO3 and using the literature data for S°298 of BaZrO3, the values of S°298 of BaZr1–xPrxO3 were predicted on the assumption that BaZr1–xPrxO3 is a regular or ideal solution of BaPrO3 in BaZrO3 as evidenced by the very small enthalpy of mixing calculated based on the estimated ΔfH°ox. The values of standard entropy changes, ΔfS°ox, and Gibbs energy changes, ΔfG°ox, for the reactions of formation of BaZr1–xPrxO3 from BaO, ZrO2 and PrO2 were also estimated. Substituting Pr for Zr in BaZr1–xPrxO3 results in ΔfH°ox and ΔfG°ox becoming more positive, indicating the decrease of the relative stability with respect to the corresponding binary oxides. Expanded uncertainties of the estimated values of ΔfH°ox and ΔfG°ox are equal to 14 kJ · mol–1, and those of S°298 and ΔfS°ox — less than 2.8 J · mol–1·K–1 and 3.5 J · mol–1·K–1, respectively, for BaZr1–xPrxO3 (x = 0.0–1.0). |
Ключевые слова: | DOPED BARIUM ZIRCONATE THERMODYNAMICS THERMODYNAMIC PROPERTIES PREDICTION |
URI: | http://elar.urfu.ru/handle/10995/87533 |
Идентификатор РИНЦ: | https://www.elibrary.ru/item.asp?id=43604138 |
ISSN: | 2409-5613 (Print) 2411-1414 (Online) |
DOI: | 10.15826/chimtech.2020.7.2.01 |
Сведения о поддержке: | This work was supported by the Russian Science Foundation (project No. 18‑73‑00022). |
Карточка проекта РНФ: | 18-73-00022 |
Источники: | Chimica Techno Acta. 2020. Vol. 7. № 2 |
Располагается в коллекциях: | Chimica Techno Acta |
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Файл | Описание | Размер | Формат | |
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cta-2020-2-01.pdf | 377,75 kB | Adobe PDF | Просмотреть/Открыть |
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